Unnamed: 0
int64 2
10.1k
| material_id
stringlengths 12
16
| cif
stringlengths 939
1.86k
| energy_per_atom
float64 -154.56
-154.07
|
|---|---|---|---|
1,932 | C-28250-3871-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.77957000
_cell_length_b 4.81588000
_cell_length_c 3.63857000
_cell_angle_alpha 112.37243000
_cell_angle_beta 94.74423000
_cell_angle_gamma 98.34687000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.05340165
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.21066237 0.32912148 0.87424968 1
C C1 1 1.21467607 0.82899735 0.93475077 1
C C2 1 0.21149735 0.13815409 0.08813636 1
C C3 1 0.21549345 0.63787326 0.14829582 1
C C4 1 0.21021065 0.32922891 0.49262549 1
C C5 1 0.21602621 0.63800901 0.53023348 1
| -154.135214 |
6,491 | C-47648-3167-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.29985000
_cell_length_b 4.83292000
_cell_length_c 4.21903000
_cell_angle_alpha 89.95303000
_cell_angle_beta 129.91445000
_cell_angle_gamma 102.22885000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 49.61078210
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.02634251 0.54436002 0.45251472 1
C C1 1 0.02535767 0.54435248 0.12650032 1
C C2 1 0.90232858 0.28640247 0.89043140 1
C C3 1 0.77780687 1.00204403 -0.01615501 1
C C4 1 0.90133636 0.28638398 0.56455534 1
C C5 1 0.14976069 0.82870170 1.03321705 1
C C6 1 0.77794413 1.00217445 0.34702222 1
C C7 1 0.14963138 0.82862728 0.66967426 1
| -154.217081 |
5,362 | C-72718-9015-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48116000
_cell_length_b 3.68921000
_cell_length_c 4.21756000
_cell_angle_alpha 75.28208000
_cell_angle_beta 90.00505000
_cell_angle_gamma 109.63425000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.01336620
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.65863166 0.04568257 0.51514025 1
C C1 1 0.33889161 0.40616138 0.81236995 1
C C2 1 0.88079167 0.49075586 0.30884958 1
C C3 1 0.91734631 0.56298162 0.94339464 1
C C4 1 0.13950631 1.00805490 0.73710397 1
C C5 1 0.45924636 0.64757609 0.43987427 1
| -154.310346 |
1,811 | C-152565-20-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45107000
_cell_length_b 5.45500000
_cell_length_c 5.44782000
_cell_angle_alpha 65.67315000
_cell_angle_beta 64.27499000
_cell_angle_gamma 89.62173000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.46424878
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.63160387 0.17599678 0.06194812 1
C C1 1 0.08288170 0.55819489 0.10752721 1
C C2 1 0.97245222 0.31813635 0.72759483 1
C C3 1 0.15936419 0.17455137 0.53743360 1
C C4 1 0.42968019 0.71194147 0.76385020 1
C C5 1 0.40194779 0.88424594 0.28146874 1
C C6 1 0.56082431 0.50703176 0.63252315 1
C C7 1 0.07949162 0.88316149 0.60735492 1
C C8 1 0.89240153 0.71366932 0.29521290 1
C C9 1 0.49170228 0.36362703 0.20552162 1
| -154.203465 |
9,128 | C-127257-4616-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28844000
_cell_length_b 4.76555000
_cell_length_c 10.40119000
_cell_angle_alpha 92.14296000
_cell_angle_beta 69.39992000
_cell_angle_gamma 113.95104000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 138.37582966
_cell_formula_units_Z 20
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.35695407 0.35156576 0.16006926 1
C C1 1 -0.08765866 0.67209325 1.09005091 1
C C2 1 0.93512987 0.27549640 0.83316004 1
C C3 1 0.65262151 0.60316311 0.53711001 1
C C4 1 0.90966711 0.17905319 0.16892870 1
C C5 1 1.00044563 0.07598761 0.39428042 1
C C6 1 0.53018714 0.30574009 0.59359988 1
C C7 1 0.97684458 0.76005770 0.39743158 1
C C8 1 0.58985509 1.10025261 0.95684682 1
C C9 1 1.17990020 0.30954811 0.27738930 1
C C10 1 0.49811186 0.81524953 0.60782455 1
C C11 1 0.62363080 0.84486208 0.16833319 1
C C12 1 0.94325683 0.58746320 0.83791098 1
C C13 1 0.39725096 0.27940058 1.05225976 1
C C14 1 0.20317390 0.14994488 0.72779292 1
C C15 1 0.23920712 0.64281211 0.29447632 1
C C16 1 0.43870949 0.81236285 1.03397510 1
C C17 1 0.66733408 0.60094614 0.97986016 1
C C18 1 0.70736176 0.09637876 0.52186446 1
C C19 1 0.18471862 0.83634735 0.73673943 1
| -154.079066 |
9,722 | C-56466-8042-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48449000
_cell_length_b 4.67945000
_cell_length_c 4.08615000
_cell_angle_alpha 83.33288000
_cell_angle_beta 89.99749000
_cell_angle_gamma 74.55201000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.45619132
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.20061899 0.26319026 0.60888152 1
C C1 1 0.48513247 0.69006582 0.84683427 1
C C2 1 0.81225965 0.03371465 1.13992525 1
C C3 1 0.02917185 0.60397099 0.67692963 1
C C4 1 0.31366609 0.03101586 0.91507338 1
C C5 1 0.70136457 0.26139832 0.38201877 1
C C6 1 0.54280413 0.57520241 0.20275979 1
C C7 1 0.96956386 0.72002369 0.32144859 1
| -154.368133 |
6,958 | C-170886-315-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48212000
_cell_length_b 3.66856000
_cell_length_c 5.56937000
_cell_angle_alpha 109.21368000
_cell_angle_beta 102.90581000
_cell_angle_gamma 90.00758000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.52939701
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.76731091 0.70733483 0.22349941 1
C C1 1 0.53247059 0.47581015 0.75715545 1
C C2 1 0.26765381 0.46952506 0.22396535 1
C C3 1 -0.07992563 0.86374337 0.53280773 1
C C4 1 0.42037570 0.62582684 0.53327977 1
C C5 1 1.15084281 1.09557757 0.99933675 1
C C6 1 0.03253649 0.23739844 -0.24283421 1
C C7 1 0.65072962 -0.14286336 -0.00084576 1
| -154.244124 |
6,041 | C-177244-4718-53 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48730000
_cell_length_b 4.78394000
_cell_length_c 6.28392000
_cell_angle_alpha 112.38664000
_cell_angle_beta 78.61580000
_cell_angle_gamma 90.00622000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.54462084
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.73685089 0.78571280 0.76513856 1
C C1 1 0.07983410 0.68430019 0.08493336 1
C C2 1 0.73744807 0.26293586 0.76516239 1
C C3 1 0.43283887 0.15746896 0.38475560 1
C C4 1 0.65661367 0.10673693 0.92994662 1
C C5 1 0.08608034 0.17878675 0.07332110 1
C C6 1 0.00587987 0.02226882 0.23788553 1
C C7 1 0.31028607 0.77426240 0.61836059 1
C C8 1 1.00532828 0.49939123 0.23828522 1
C C9 1 0.43221162 0.51069708 0.38521500 1
C C10 1 0.31099892 0.12732442 0.61815020 1
C C11 1 0.66170612 0.60112495 0.91863324 1
| -154.394352 |
2,070 | C-170331-6356-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31081000
_cell_length_b 4.89421000
_cell_length_c 5.24554000
_cell_angle_alpha 98.13173000
_cell_angle_beta 120.70356000
_cell_angle_gamma 89.88731000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 72.10106339
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.65060320 0.68096671 0.60251907 1
C C1 1 0.11601654 0.70430948 0.09300537 1
C C2 1 0.85542977 0.93379595 1.06211884 1
C C3 1 0.25716526 0.32231256 0.85014341 1
C C4 1 0.54472445 -0.07717503 0.74055726 1
C C5 1 0.99596294 0.55135328 0.82054929 1
C C6 1 0.89488497 0.13581587 0.29702633 1
C C7 1 0.21982881 0.12125370 0.61522195 1
C C8 1 0.56906502 0.33399059 0.17198852 1
C C9 1 0.46488016 0.57575428 0.31092407 1
| -154.175619 |
4,265 | C-176652-1615-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47726000
_cell_length_b 4.14539000
_cell_length_c 6.07631000
_cell_angle_alpha 85.41439000
_cell_angle_beta 78.18253000
_cell_angle_gamma 90.00563000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 60.87216886
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.67277795 0.57375785 0.09100307 1
C C1 1 0.78722933 0.76398032 0.86413974 1
C C2 1 -0.08577391 0.80014621 0.60247814 1
C C3 1 0.11699735 0.70467222 0.20192287 1
C C4 1 1.15595355 0.06258704 0.12097512 1
C C5 1 0.62367997 0.23179330 0.18595979 1
C C6 1 0.28279936 0.97415761 0.87302360 1
C C7 1 0.49511741 0.31945624 0.44086220 1
C C8 1 0.99378532 0.53769121 0.44358090 1
C C9 1 0.41527957 0.01983930 0.60072636 1
| -154.126429 |
159 | C-170358-474-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46130000
_cell_length_b 3.35483000
_cell_length_c 4.91400000
_cell_angle_alpha 102.47647000
_cell_angle_beta 65.42586000
_cell_angle_gamma 75.53013000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 33.28834679
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.29649342 0.43919699 0.78316670 1
C C1 1 0.52525037 0.77853347 0.46139184 1
C C2 1 0.67825426 0.19305120 0.01708785 1
C C3 1 0.96728293 0.29872082 0.22784780 1
C C4 1 0.94407971 0.05180752 0.46128957 1
C C5 1 0.12216586 0.71265569 0.78322255 1
| -154.202452 |
5,366 | C-41318-6901-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63879000
_cell_length_b 4.05623000
_cell_length_c 3.33281000
_cell_angle_alpha 80.97197000
_cell_angle_beta 91.55937000
_cell_angle_gamma 64.74770000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.69471658
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.01819295 0.88160486 0.17940327 1
C C1 1 0.13518696 0.57469228 0.48903760 1
C C2 1 0.54097440 0.38295585 0.68125612 1
C C3 1 -0.07848668 0.38279364 0.68147611 1
C C4 1 1.19526881 1.07375959 0.98707110 1
C C5 1 0.57599445 0.07312558 -0.01284551 1
| -154.158921 |
9,308 | C-126187-3348-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45422000
_cell_length_b 5.64563000
_cell_length_c 6.90470000
_cell_angle_alpha 122.58568000
_cell_angle_beta 85.67418000
_cell_angle_gamma 93.27908000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 80.36407929
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.58426928 0.02951918 0.29279033 1
C C1 1 0.09404801 0.63183467 0.01641430 1
C C2 1 0.07909107 0.47123990 0.30656917 1
C C3 1 0.46450862 0.90231028 0.59619352 1
C C4 1 0.01353679 0.78336865 0.43297660 1
C C5 1 0.59533899 0.34769731 0.14951213 1
C C6 1 0.59082467 0.29231234 0.52754916 1
C C7 1 0.11014994 0.45373323 0.52677118 1
C C8 1 0.58766279 0.44225239 -0.04056931 1
C C9 1 1.06217608 -0.13657767 0.26572702 1
C C10 1 0.54432112 0.21266521 0.70800754 1
C C11 1 0.62066024 1.03999163 0.07494179 1
C C12 1 0.14318834 0.85795296 0.94616707 1
C C13 1 0.23731377 0.74925592 0.70736482 1
| -154.107937 |
1,154 | C-145313-1627-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49915000
_cell_length_b 4.26042000
_cell_length_c 4.83646000
_cell_angle_alpha 68.70507000
_cell_angle_beta 90.03366000
_cell_angle_gamma 90.00573000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.97989000
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.59329409 0.59946073 0.20774912 1
C C1 1 1.09348353 0.16527735 0.15334646 1
C C2 1 0.59303660 0.64383038 -0.13277288 1
C C3 1 1.09300653 0.45910523 0.84190157 1
C C4 1 0.09322019 0.22994065 0.66159510 1
C C5 1 0.09337796 0.39483222 0.33318408 1
C C6 1 0.59348858 -0.01922442 0.12759605 1
C C7 1 0.59327582 1.02526607 0.78689700 1
| -154.235758 |
9,486 | C-176677-5553-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43048000
_cell_length_b 6.13423000
_cell_length_c 6.06614000
_cell_angle_alpha 120.27998000
_cell_angle_beta 105.79405000
_cell_angle_gamma 94.18702000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 72.70806280
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.22969965 0.61973783 0.81405793 1
C C1 1 0.43279520 0.22059274 0.21502946 1
C C2 1 0.96507057 0.15369701 1.28195576 1
C C3 1 0.56269823 -0.04677915 0.48128543 1
C C4 1 0.36612911 0.35417513 1.08251525 1
C C5 1 0.16207184 0.75311400 0.68131330 1
C C6 1 0.62881356 0.81963083 0.61383260 1
C C7 1 0.76443074 0.55381228 -0.11788898 1
C C8 1 0.83235828 0.42052482 1.01488529 1
C C9 1 0.03061662 0.02012242 0.41440835 1
| -154.468332 |
583 | C-40118-1783-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48118000
_cell_length_b 3.68942000
_cell_length_c 4.21533000
_cell_angle_alpha 75.26279000
_cell_angle_beta 90.02864000
_cell_angle_gamma 70.35199000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98822516
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.78139331 0.32760682 0.20022722 1
C C1 1 0.55707566 0.77288722 0.99407927 1
C C2 1 0.10328624 0.68754338 0.49794166 1
C C3 1 0.30056340 0.28973286 0.42278876 1
C C4 1 0.52494470 0.84445353 0.62897177 1
C C5 1 0.97887909 0.92950519 0.12522942 1
| -154.309403 |
1,799 | C-157681-4063-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45034000
_cell_length_b 5.68356000
_cell_length_c 4.38822000
_cell_angle_alpha 82.42501000
_cell_angle_beta 106.26050000
_cell_angle_gamma 90.01174000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.11333583
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.73510586 0.96560356 0.60652109 1
C C1 1 0.22032582 0.60459751 0.57601069 1
C C2 1 0.29722924 0.81929907 0.72975117 1
C C3 1 1.06297216 0.36792288 0.26358637 1
C C4 1 0.47793776 0.77264408 0.09085514 1
C C5 1 0.54800879 0.00687043 0.23278496 1
C C6 1 0.80570768 0.19986114 0.74884197 1
C C7 1 -0.01402248 0.15264266 0.10973703 1
C C8 1 0.24112611 0.33877885 0.61965691 1
C C9 1 1.04322345 0.63383142 0.22020698 1
| -154.142861 |
7,582 | C-136229-8372-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42835000
_cell_length_b 3.35646000
_cell_length_c 6.32702000
_cell_angle_alpha 121.11991000
_cell_angle_beta 96.71414000
_cell_angle_gamma 94.16900000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.30433881
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.03858050 0.67117648 0.82676371 1
C C1 1 0.59409927 0.89235292 0.93849269 1
C C2 1 0.26076593 0.55901959 0.27182603 1
C C3 1 0.92743260 0.22568626 0.60515936 1
C C4 1 0.70524717 0.33784314 0.16009704 1
C C5 1 0.37191383 1.00450981 0.49343037 1
| -154.434369 |
4,027 | C-41270-7708-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.00875000
_cell_length_b 2.42810000
_cell_length_c 5.98060000
_cell_angle_alpha 98.96380000
_cell_angle_beta 95.72021000
_cell_angle_gamma 95.59448000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.65819618
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.40408826 1.00630218 0.13902579 1
C C1 1 0.96204135 0.78347473 0.69319320 1
C C2 1 0.73712107 0.67296125 0.47239554 1
C C3 1 0.29550255 0.45015177 1.02652505 1
C C4 1 1.07089712 0.33964910 0.80567755 1
C C5 1 0.62847616 0.11680017 0.35989587 1
| -154.433146 |
5,813 | C-72738-5062-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31255000
_cell_length_b 3.39590000
_cell_length_c 5.86954000
_cell_angle_alpha 63.98484000
_cell_angle_beta 80.86354000
_cell_angle_gamma 87.44940000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.56065392
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.10940956 0.11472382 0.42850421 1
C C1 1 0.98856945 0.36829476 -0.00100327 1
C C2 1 0.32202717 0.67971657 0.00035234 1
C C3 1 0.69616934 0.64949446 0.83076105 1
C C4 1 -0.09484639 0.09418439 0.68082723 1
C C5 1 0.41642269 0.49546477 0.27436020 1
C C6 1 0.46279843 0.77035563 0.41248273 1
C C7 1 0.56941708 0.43427396 0.67454828 1
C C8 1 0.77476202 0.16370386 0.27443471 1
C C9 1 0.19477525 0.13720118 0.84827492 1
| -154.309518 |
5,083 | C-57109-5472-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48724000
_cell_length_b 4.69508000
_cell_length_c 5.29240000
_cell_angle_alpha 47.49334000
_cell_angle_beta 89.99077000
_cell_angle_gamma 89.98960000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.56149477
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.35436482 0.59268418 -0.02076288 1
C C1 1 0.85433751 0.08231688 0.44541398 1
C C2 1 0.85421650 0.58109961 0.41375952 1
C C3 1 0.85415309 0.50623541 0.18051420 1
C C4 1 0.85449586 1.00721981 0.21238905 1
C C5 1 0.35465009 0.23761157 -0.01270503 1
C C6 1 0.35438487 0.99575412 0.64665999 1
C C7 1 0.35439755 0.35062751 0.63880196 1
| -154.360951 |
1,350 | C-107766-482-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44967000
_cell_length_b 3.36582000
_cell_length_c 8.12979000
_cell_angle_alpha 68.32076000
_cell_angle_beta 107.55676000
_cell_angle_gamma 111.29004000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.94228838
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.32263028 0.87762173 0.80395862 1
C C1 1 0.64449782 0.76189986 0.18279204 1
C C2 1 0.75030115 0.58857035 0.37534775 1
C C3 1 0.29989925 0.50618102 0.46704740 1
C C4 1 0.42608099 0.36313351 0.66330697 1
C C5 1 1.09533050 0.84519448 0.09075652 1
C C6 1 0.06936146 0.46788774 0.75480639 1
C C7 1 0.96682455 0.98419811 0.89461421 1
| -154.198185 |
1,880 | C-142755-3271-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53740000
_cell_length_b 5.57233000
_cell_length_c 5.35027000
_cell_angle_alpha 91.47880000
_cell_angle_beta 82.00855000
_cell_angle_gamma 100.68229000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 102.62811115
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.94172313 0.15167492 -0.07351355 1
C C1 1 0.78875054 0.58894660 0.95317978 1
C C2 1 0.31493989 0.47848114 0.66449342 1
C C3 1 1.04481377 0.54502000 0.50820958 1
C C4 1 0.71077600 0.88186378 0.56634248 1
C C5 1 0.34064803 0.24466539 0.24373118 1
C C6 1 0.38424114 0.47919111 0.09849623 1
C C7 1 0.59022209 0.07758371 0.12820569 1
C C8 1 0.13801991 0.28145446 0.49733345 1
C C9 1 0.09174793 0.42281797 0.91647189 1
C C10 1 0.70596664 0.63120124 0.67448871 1
C C11 1 0.90215982 0.08744483 0.65772386 1
C C12 1 0.62113040 0.86205565 0.29814577 1
C C13 1 0.19667303 1.03024952 0.05853779 1
C C14 1 0.96999216 0.78619497 0.14005768 1
C C15 1 0.24636662 0.67256029 0.27445233 1
| -154.102596 |
371 | C-126169-9026-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46229000
_cell_length_b 3.38925000
_cell_length_c 5.83800000
_cell_angle_alpha 102.10451000
_cell_angle_beta 114.94415000
_cell_angle_gamma 68.71537000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.06957792
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.92742238 0.87881781 0.43125409 1
C C1 1 0.68581652 0.81004165 0.15581352 1
C C2 1 0.83298405 0.70982862 0.75411775 1
C C3 1 0.45782181 0.06829126 0.55710618 1
C C4 1 0.30088374 0.52198623 0.62800958 1
C C5 1 0.07426800 0.77829652 0.02924987 1
| -154.160874 |
4,411 | C-150709-2118-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39746000
_cell_length_b 3.39718000
_cell_length_c 10.13764000
_cell_angle_alpha 85.65636000
_cell_angle_beta 85.66675000
_cell_angle_gamma 91.60955000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 116.26957795
_cell_formula_units_Z 20
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.06410085 0.30824692 0.42879414 1
C C1 1 0.31798346 0.19244362 0.21135956 1
C C2 1 0.37810652 -0.23012902 0.90332736 1
C C3 1 0.19206486 -0.25892538 0.04554754 1
C C4 1 0.12310900 0.99757135 0.34129650 1
C C5 1 0.86285866 0.72530106 0.72631044 1
C C6 1 0.43852821 0.81072486 0.42117755 1
C C7 1 0.65555727 0.52379990 0.21143760 1
C C8 1 1.21206626 0.58019634 0.64664085 1
C C9 1 0.26122713 0.45802223 0.50648582 1
C C10 1 0.06992993 -0.02862085 0.81798933 1
C C11 1 0.57408296 0.12523502 0.50768428 1
C C12 1 -0.14011305 1.05201466 0.04690867 1
C C13 1 0.00826421 0.37793332 0.12445834 1
C C14 1 0.79135652 0.65952505 0.34122703 1
C C15 1 0.50617238 0.87551391 1.13159418 1
C C16 1 0.34571542 0.24759955 0.73442471 1
C C17 1 0.59104839 0.45223815 0.82724020 1
C C18 1 0.73769041 0.10168068 0.90673645 1
C C19 1 0.54385419 0.93746173 0.64977844 1
| -154.333904 |
9,258 | C-13939-9611-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48110000
_cell_length_b 3.68829000
_cell_length_c 4.21778000
_cell_angle_alpha 75.27564000
_cell_angle_beta 89.95444000
_cell_angle_gamma 70.38808000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.01223782
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.30132474 0.66270282 1.05549409 1
C C1 1 1.07991590 0.10782106 0.84906815 1
C C2 1 0.50184289 0.26428608 -0.01971865 1
C C3 1 1.04388286 0.17980254 0.48366034 1
C C4 1 0.62252342 0.02271013 0.35282658 1
C C5 1 0.82021409 0.62505577 0.27734659 1
| -154.31057 |
6,441 | C-194765-4540-59 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48234000
_cell_length_b 6.72841000
_cell_length_c 8.68421000
_cell_angle_alpha 92.00800000
_cell_angle_beta 106.60789000
_cell_angle_gamma 100.63965000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C24
_cell_volume 136.00992833
_cell_formula_units_Z 24
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.04566609 0.30297268 0.41526368 1
C C1 1 0.23344209 0.79059803 -0.04862534 1
C C2 1 0.81022044 0.45771139 0.69481548 1
C C3 1 0.69873494 0.88066374 0.37206629 1
C C4 1 -0.02470628 0.57639036 0.30246273 1
C C5 1 0.12385212 0.42496421 0.02368267 1
C C6 1 0.11985635 0.52496623 0.47060007 1
C C7 1 -0.11700911 0.81578075 0.58725421 1
C C8 1 1.04951075 1.06652736 1.13053679 1
C C9 1 0.43548738 0.51015464 0.79261455 1
C C10 1 1.33296610 0.14138619 0.87460644 1
C C11 1 0.51564146 0.87243019 0.69047520 1
C C12 1 0.19424150 0.29389670 0.16006690 1
C C13 1 0.81163971 0.35509829 0.24791000 1
C C14 1 0.73876650 0.58784480 0.55844932 1
C C15 1 0.60288020 0.74173039 0.84355011 1
C C16 1 0.22979305 0.99865412 0.34468603 1
C C17 1 0.49983198 0.37303865 0.92546122 1
C C18 1 0.63975323 0.23120343 0.63849876 1
C C19 1 0.29149129 0.65115344 0.07912232 1
C C20 1 0.48663264 0.68609076 0.25890900 1
C C21 1 0.41946109 0.01060240 1.02783007 1
C C22 1 0.70113042 0.09258570 0.76653914 1
C C23 1 0.44295364 0.19325987 0.45852236 1
| -154.206698 |
2,407 | C-172945-2721-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.87367000
_cell_length_b 4.20100000
_cell_length_c 4.69577000
_cell_angle_alpha 65.21606000
_cell_angle_beta 74.73115000
_cell_angle_gamma 58.43972000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.78402973
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.46232796 0.87399429 0.75734798 1
C C1 1 0.61944065 0.03182081 0.44777594 1
C C2 1 0.67646069 0.47041093 -0.05225927 1
C C3 1 1.02637607 0.81711272 0.25681276 1
C C4 1 0.40530792 0.43540417 0.25738319 1
C C5 1 0.05539253 1.08870239 -0.05168884 1
| -154.138206 |
9,386 | C-177260-5773-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48440000
_cell_length_b 4.08883000
_cell_length_c 11.45104000
_cell_angle_alpha 115.90769000
_cell_angle_beta 102.49413000
_cell_angle_gamma 107.71632000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 91.01236396
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.44201784 0.67356063 0.73549572 1
C C1 1 0.57590548 0.99859224 0.70809120 1
C C2 1 0.52777789 -0.23925901 0.27612947 1
C C3 1 0.49417971 0.23123739 0.50840613 1
C C4 1 0.54351444 0.46928386 0.94063453 1
C C5 1 0.16664489 0.21969598 0.18636954 1
C C6 1 0.02545461 0.51384359 0.39775188 1
C C7 1 0.90314107 1.01039184 1.03027219 1
C C8 1 0.15372183 -0.16494235 0.36562863 1
C C9 1 0.91662502 0.39418086 0.85100230 1
C C10 1 0.96996387 0.95534675 0.62355744 1
C C11 1 0.38781694 1.09983850 0.97023751 1
C C12 1 0.68259086 0.13006766 0.24652314 1
C C13 1 0.04644164 0.71654342 0.81895531 1
C C14 1 0.10084093 0.27506194 0.59318438 1
C C15 1 -0.37018629 0.55706361 0.48116784 1
| -154.302775 |
3,103 | C-152563-2721-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.96088000
_cell_length_b 3.63803000
_cell_length_c 4.82034000
_cell_angle_alpha 67.72345000
_cell_angle_beta 110.77771000
_cell_angle_gamma 110.31968000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.54358122
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.60814696 0.40684894 0.69376474 1
C C1 1 0.60579791 0.62077563 0.88572594 1
C C2 1 -0.39678740 0.00144250 0.88475262 1
C C3 1 0.61284240 0.56432044 0.38578566 1
C C4 1 0.61689409 0.96943574 0.19471587 1
C C5 1 0.61529743 0.35056745 0.19371616 1
| -154.112096 |
5,697 | C-172953-2094-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42646000
_cell_length_b 4.98262000
_cell_length_c 4.00442000
_cell_angle_alpha 89.46015000
_cell_angle_beta 66.48070000
_cell_angle_gamma 94.46619000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.21374826
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.88278975 0.56962859 0.30794972 1
C C1 1 0.54868194 0.23549662 0.97626241 1
C C2 1 0.21686245 0.90344687 0.64017294 1
C C3 1 0.10528487 0.12541180 0.86456000 1
C C4 1 0.43935758 0.45923009 0.19678321 1
C C5 1 0.77346538 0.79336205 0.52847053 1
| -154.413272 |
4,909 | C-170370-9311-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.60591000
_cell_length_b 4.61976000
_cell_length_c 3.67656000
_cell_angle_alpha 113.40322000
_cell_angle_beta 89.72732000
_cell_angle_gamma 75.90722000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.14028971
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.18097758 0.70451168 0.03660224 1
C C1 1 0.35940429 0.38260848 0.37535156 1
C C2 1 0.18113481 0.70479615 0.41191250 1
C C3 1 0.06530204 -0.06255817 0.84123058 1
C C4 1 0.47625102 0.14977482 0.94690846 1
C C5 1 0.35990085 0.38227124 0.75030306 1
| -154.086887 |
2,401 | C-41270-7708-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51167000
_cell_length_b 4.19012000
_cell_length_c 4.11267000
_cell_angle_alpha 119.40585000
_cell_angle_beta 89.99242000
_cell_angle_gamma 107.56384000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.37276722
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.31762190 0.72321905 0.81299558 1
C C1 1 0.51090985 0.11096830 0.52630075 1
C C2 1 0.51136571 0.11136658 0.15741324 1
C C3 1 0.12405378 0.33476316 0.76890647 1
C C4 1 0.31704630 0.72254227 0.48216209 1
C C5 1 1.12390516 0.33434124 1.13763687 1
| -154.232482 |
9,031 | C-184044-1943-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49100000
_cell_length_b 2.48422000
_cell_length_c 9.59655000
_cell_angle_alpha 82.56089000
_cell_angle_beta 74.40440000
_cell_angle_gamma 89.98999000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.68017306
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.07170865 0.52631850 0.54897308 1
C C1 1 0.52693680 0.33346485 0.93518476 1
C C2 1 0.62446362 0.88094398 0.83972809 1
C C3 1 0.22392316 0.92986414 0.74329204 1
C C4 1 0.13612243 0.14298744 0.31337979 1
C C5 1 0.92642492 0.28524253 0.03156383 1
C C6 1 0.01331689 0.06857054 0.46229184 1
C C7 1 0.22088481 0.68761645 0.22635502 1
C C8 1 1.32317075 0.47616779 0.64825643 1
C C9 1 0.82503437 0.73637188 0.12721621 1
| -154.380496 |
547 | C-172967-546-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43147000
_cell_length_b 4.87300000
_cell_length_c 4.87340000
_cell_angle_alpha 73.02277000
_cell_angle_beta 60.08146000
_cell_angle_gamma 60.01668000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.27955762
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.22187939 0.31030294 0.22101516 1
C C1 1 -0.14119225 0.74213512 0.65258357 1
C C2 1 0.14751044 0.80279129 0.30324067 1
C C3 1 0.85853096 0.15234650 0.24250823 1
C C4 1 0.93361918 0.65993243 0.16002024 1
C C5 1 0.22255947 0.72051451 0.81054183 1
| -154.306976 |
204 | C-170348-4384-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44323000
_cell_length_b 4.24633000
_cell_length_c 9.06014000
_cell_angle_alpha 108.89051000
_cell_angle_beta 89.99775000
_cell_angle_gamma 89.99553000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 88.93402408
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.16132817 0.73173298 0.28875316 1
C C1 1 0.16075163 0.66600690 0.11679530 1
C C2 1 0.15783469 0.25177366 0.61268724 1
C C3 1 0.65859896 0.90695876 0.85482215 1
C C4 1 0.66054624 0.63253092 0.04025958 1
C C5 1 0.66106864 0.93671961 0.35755947 1
C C6 1 0.15678476 0.56878928 0.57842945 1
C C7 1 0.65673149 0.72870917 0.57877047 1
C C8 1 0.65912623 0.56570612 0.86824718 1
C C9 1 0.16234845 0.39007821 0.30173791 1
C C10 1 0.15891946 0.36064125 0.79956142 1
C C11 1 0.65802601 1.04570017 0.54423914 1
C C12 1 0.66232404 0.23430252 0.30594906 1
C C13 1 0.15858742 1.06294915 0.85092617 1
| -154.242889 |
871 | C-96665-6528-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95315000
_cell_length_b 3.64092000
_cell_length_c 4.81396000
_cell_angle_alpha 112.20453000
_cell_angle_beta 104.19494000
_cell_angle_gamma 66.72416000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.74115231
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.00888689 0.20703283 0.43635996 1
C C1 1 0.00478548 0.61319326 0.62840067 1
C C2 1 1.01105164 0.26413512 0.93570784 1
C C3 1 1.01535150 0.64389280 -0.06322497 1
C C4 1 0.00908324 -0.00741975 0.62901754 1
C C5 1 0.01142185 0.04971775 0.12841496 1
| -154.123623 |
6,607 | C-177262-5714-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42709000
_cell_length_b 4.15231000
_cell_length_c 6.63779000
_cell_angle_alpha 113.28492000
_cell_angle_beta 100.56464000
_cell_angle_gamma 90.00088000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 60.21062675
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.84172128 0.70056505 0.82281595 1
C C1 1 0.16823709 0.31400862 0.48103113 1
C C2 1 0.14251717 -0.06308544 0.43893807 1
C C3 1 0.94449615 0.00389475 1.02766760 1
C C4 1 0.29074145 0.56213290 0.72045266 1
C C5 1 0.49445151 0.14152267 0.13025515 1
C C6 1 0.62962122 0.76477419 0.41122348 1
C C7 1 0.61286783 0.38785376 0.36959715 1
| -154.265673 |
1,207 | C-96696-5300-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24183000
_cell_length_b 3.32461000
_cell_length_c 4.63922000
_cell_angle_alpha 70.20682000
_cell_angle_beta 67.02912000
_cell_angle_gamma 85.09146000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.59563567
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.55875645 0.20508699 0.35573716 1
C C1 1 0.81090605 0.81873134 0.95055951 1
C C2 1 0.70241277 0.60341426 0.75806388 1
C C3 1 0.28456263 0.44871572 0.54552494 1
C C4 1 0.15306663 1.02792293 0.82728739 1
C C5 1 0.42724707 0.78382877 0.63793810 1
C C6 1 0.16488766 0.07483750 0.13220328 1
C C7 1 0.54661146 0.15705655 0.05152275 1
C C8 1 -0.09895624 0.41304640 0.23253697 1
C C9 1 1.00892133 0.62735065 0.42590163 1
| -154.160492 |
2,896 | C-157691-3994-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48074000
_cell_length_b 3.68678000
_cell_length_c 4.83367000
_cell_angle_alpha 57.52111000
_cell_angle_beta 75.17882000
_cell_angle_gamma 70.37554000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.96881658
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.13911602 0.24308935 0.66505851 1
C C1 1 0.56085606 0.53045592 0.53434486 1
C C2 1 0.10845747 0.94567884 1.02967045 1
C C3 1 0.68675105 0.65811619 0.16040237 1
C C4 1 0.36394918 0.00355106 0.45830702 1
C C5 1 -0.11645258 0.18530554 0.23645499 1
| -154.309833 |
509 | C-107756-3646-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27365000
_cell_length_b 3.27309000
_cell_length_c 7.33044000
_cell_angle_alpha 74.40709000
_cell_angle_beta 74.40852000
_cell_angle_gamma 80.79991000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 72.54478948
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.22430255 0.42548692 0.02838426 1
C C1 1 0.39436659 0.59519481 0.64683013 1
C C2 1 0.28638858 0.53250510 0.33766692 1
C C3 1 0.72438582 -0.07443452 0.52838158 1
C C4 1 0.03247920 0.95715714 0.64679595 1
C C5 1 0.36292235 0.28709663 0.52833982 1
C C6 1 0.46982438 0.34912297 0.83770359 1
C C7 1 0.53236576 0.45705924 0.14678677 1
C C8 1 0.86283997 0.78704420 0.02835335 1
C C9 1 -0.03029185 0.84897277 0.33770588 1
C C10 1 0.89426000 0.09506976 0.14682496 1
C C11 1 0.78654614 0.03268726 0.83766469 1
| -154.204047 |
2,889 | C-184060-4400-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49353000
_cell_length_b 3.95985000
_cell_length_c 6.06698000
_cell_angle_alpha 89.99255000
_cell_angle_beta 101.86745000
_cell_angle_gamma 89.99154000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.62496861
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.70170303 0.13741354 0.23535179 1
C C1 1 0.04490180 0.84724687 0.92626347 1
C C2 1 -0.04549203 0.14466774 0.74679625 1
C C3 1 0.27385015 0.53556784 0.37969457 1
C C4 1 0.61738147 0.84757807 0.06921877 1
C C5 1 0.95454251 0.55014405 0.74681724 1
C C6 1 0.38792719 0.65985113 0.61484713 1
C C7 1 0.38790445 1.03556460 0.61479890 1
C C8 1 0.27382739 0.16033884 0.37960846 1
C C9 1 0.70176815 0.55854882 0.23556303 1
| -154.169636 |
4,996 | C-76040-1153-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43242000
_cell_length_b 4.81644000
_cell_length_c 4.22669000
_cell_angle_alpha 82.26189000
_cell_angle_beta 73.27234000
_cell_angle_gamma 75.35294000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.77925900
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.56646724 0.50523659 0.98476128 1
C C1 1 0.41553593 0.44127948 0.35193871 1
C C2 1 0.78601335 0.22942990 0.82372521 1
C C3 1 0.95390616 0.25811087 0.45911879 1
C C4 1 0.18151703 -0.02337314 0.28594074 1
C C5 1 0.80144898 0.97038601 0.05059305 1
C C6 1 0.19786295 0.71732467 0.51269467 1
C C7 1 0.02943126 0.68856803 0.87751415 1
| -154.22622 |
7,878 | C-102899-3014-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47580000
_cell_length_b 4.18402000
_cell_length_c 5.39451000
_cell_angle_alpha 112.81369000
_cell_angle_beta 62.66572000
_cell_angle_gamma 90.00951000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 44.66511658
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.84884470 0.27363788 0.16667518 1
C C1 1 0.49020933 0.45244799 0.52407099 1
C C2 1 0.49136676 1.08146180 0.52356511 1
C C3 1 -0.15119694 -0.09672150 0.16682802 1
C C4 1 0.50368893 0.69563808 0.01194872 1
C C5 1 0.83672572 1.02913732 0.67851284 1
C C6 1 0.50405667 0.32599254 0.01166200 1
C C7 1 0.83585273 0.66004039 0.67892254 1
| -154.405514 |
8,703 | C-13661-7792-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34229000
_cell_length_b 5.94895000
_cell_length_c 5.58903000
_cell_angle_alpha 138.11946000
_cell_angle_beta 103.33533000
_cell_angle_gamma 89.51086000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 69.87095614
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.34166480 0.77903607 0.50426804 1
C C1 1 0.85500410 -0.11594641 0.14999408 1
C C2 1 0.79585292 0.40060241 0.32453586 1
C C3 1 0.41186508 0.30155528 0.80009746 1
C C4 1 0.39760472 0.44321528 0.16587872 1
C C5 1 0.02968413 0.96922932 0.48928431 1
C C6 1 0.52503447 0.50880053 0.74984910 1
C C7 1 0.60425581 0.19079882 0.34015547 1
C C8 1 0.71947622 1.05618634 0.69562692 1
C C9 1 0.20191053 0.67211880 0.67190110 1
C C10 1 1.01101080 0.20362314 1.04279669 1
C C11 1 1.16111393 -0.02753798 1.04845944 1
| -154.075511 |
9,003 | C-90835-6350-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22702000
_cell_length_b 4.28143000
_cell_length_c 5.26087000
_cell_angle_alpha 60.82291000
_cell_angle_beta 76.71331000
_cell_angle_gamma 60.60788000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 72.42327767
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.83829373 0.82156526 1.12378381 1
C C1 1 0.81857047 0.43254311 0.21967168 1
C C2 1 0.15878645 0.14408197 0.13288056 1
C C3 1 0.49807615 0.10971665 0.21093037 1
C C4 1 -0.05827862 1.03452382 0.80000411 1
C C5 1 0.30608342 0.42205577 0.54890269 1
C C6 1 0.14206861 0.23197160 0.82186907 1
C C7 1 0.35103616 0.83192933 0.79464736 1
C C8 1 0.51533773 0.02195502 0.52214657 1
C C9 1 0.71532154 0.22033277 0.54316598 1
C C10 1 0.48455033 0.51974226 0.08780201 1
C C11 1 0.17210943 0.73430363 0.25576549 1
| -154.102683 |
5,955 | C-136212-1087-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52557000
_cell_length_b 3.28054000
_cell_length_c 7.35401000
_cell_angle_alpha 103.95726000
_cell_angle_beta 101.22968000
_cell_angle_gamma 84.13011000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.90075315
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.33259046 0.91688920 0.32063588 1
C C1 1 0.23229912 0.58693153 0.14120540 1
C C2 1 0.94388270 0.50273504 0.50948965 1
C C3 1 0.82214180 0.17548713 0.32057861 1
C C4 1 0.62095570 0.00155147 0.95291589 1
C C5 1 0.32828869 0.29746822 0.82384022 1
C C6 1 0.23478172 0.20620909 0.63747362 1
C C7 1 0.74314826 0.32866606 0.14129159 1
C C8 1 0.39830686 0.78026535 0.50943923 1
C C9 1 0.16620210 0.72378193 0.95290653 1
| -154.097754 |
9,816 | C-34619-2266-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31974000
_cell_length_b 3.32318000
_cell_length_c 4.33702000
_cell_angle_alpha 90.45622000
_cell_angle_beta 90.41167000
_cell_angle_gamma 83.30217000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.51741269
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.62099102 0.21072176 0.69420983 1
C C1 1 0.70282115 0.58398524 0.86134731 1
C C2 1 0.34928133 0.93601250 0.86121575 1
C C3 1 0.97574569 0.85454906 0.69411928 1
C C4 1 0.09792149 0.68680067 0.37859417 1
C C5 1 0.37178067 0.95917891 0.21156802 1
C C6 1 0.72451319 0.60550928 0.21144781 1
C C7 1 0.45367504 0.33264558 0.37857333 1
| -154.187434 |
2,334 | C-28246-1719-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27543000
_cell_length_b 3.26698000
_cell_length_c 3.63697000
_cell_angle_alpha 104.61023000
_cell_angle_beta 104.65510000
_cell_angle_gamma 80.85813000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.24636133
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.78429536 0.19413658 0.95315783 1
C C1 1 0.41165320 0.77725058 0.33497462 1
C C2 1 0.99640512 0.40548967 0.71547357 1
C C3 1 0.72918354 0.46137451 0.33438880 1
C C4 1 0.35729836 0.04356381 0.71610014 1
C C5 1 0.14616122 0.83292205 -0.04615676 1
| -154.201409 |
2,051 | C-102866-2261-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42942000
_cell_length_b 3.92430000
_cell_length_c 6.59941000
_cell_angle_alpha 106.01945000
_cell_angle_beta 68.15157000
_cell_angle_gamma 90.13883000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 55.77460887
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.96692361 0.26596969 0.64513870 1
C C1 1 0.46692985 0.26591782 0.14519465 1
C C2 1 0.54827602 0.09718506 0.56358042 1
C C3 1 0.79830111 0.59716221 0.81358050 1
C C4 1 0.71696014 0.76602316 0.39512234 1
C C5 1 0.04826585 0.09710916 0.06365385 1
C C6 1 0.29830876 0.59716355 0.31358121 1
C C7 1 0.21693167 0.76598764 0.89515673 1
| -154.424236 |
4,913 | C-136214-3679-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46519000
_cell_length_b 4.50708000
_cell_length_c 8.58062000
_cell_angle_alpha 118.28972000
_cell_angle_beta 90.05448000
_cell_angle_gamma 105.87735000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 79.78211158
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.54767020 1.01985940 0.60236044 1
C C1 1 0.35444429 0.63311784 0.21409959 1
C C2 1 0.74304037 0.41156040 0.64007622 1
C C3 1 0.53047643 0.98259791 0.76431311 1
C C4 1 0.14810544 0.22622028 0.35559237 1
C C5 1 0.74756863 0.42358191 0.46290302 1
C C6 1 0.94780393 0.81936046 0.49285402 1
C C7 1 0.28468619 0.49576634 1.01149725 1
C C8 1 0.39787415 0.72739782 -0.05920073 1
C C9 1 0.95344226 0.83155995 0.31612880 1
C C10 1 0.58408624 0.09843251 0.06855260 1
C C11 1 0.66685950 0.26172841 0.95016377 1
C C12 1 0.16018028 1.25024554 0.18660582 1
C C13 1 0.35011947 0.62304752 0.74781012 1
| -154.278766 |
7,550 | C-92132-9617-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27704000
_cell_length_b 3.26183000
_cell_length_c 3.62137000
_cell_angle_alpha 75.78728000
_cell_angle_beta 104.30823000
_cell_angle_gamma 99.10140000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.16407352
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.47279276 0.63987043 0.56143773 1
C C1 1 0.32657130 0.06519256 0.32312668 1
C C2 1 0.11164215 0.27853707 0.56072956 1
C C3 1 0.73936941 0.69557032 0.94262941 1
C C4 1 1.05746921 1.01140978 0.94191868 1
C C5 1 0.68686207 0.42554185 0.32382274 1
| -154.191913 |
1,825 | C-9612-1722-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48666000
_cell_length_b 4.06170000
_cell_length_c 4.69430000
_cell_angle_alpha 74.00111000
_cell_angle_beta 90.04099000
_cell_angle_gamma 90.01752000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.57629607
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.22860289 0.80374981 0.14896069 1
C C1 1 0.22869314 0.14407292 0.56649698 1
C C2 1 0.22906302 0.15218096 0.91377969 1
C C3 1 0.72857000 0.57807848 0.14431203 1
C C4 1 0.22919321 0.81201128 0.49623747 1
C C5 1 0.72876502 0.34520685 0.45185700 1
C C6 1 0.72920396 0.61078020 0.61072206 1
C C7 1 0.72903037 0.37707261 0.91909658 1
| -154.36248 |
1,294 | C-73671-1897-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47371000
_cell_length_b 4.80343000
_cell_length_c 4.80349000
_cell_angle_alpha 52.92415000
_cell_angle_beta 75.08266000
_cell_angle_gamma 75.08225000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.61444348
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.02342482 0.30759703 0.03782391 1
C C1 1 0.27308275 0.72448430 0.12094623 1
C C2 1 0.58591623 0.41123558 0.80833312 1
C C3 1 0.33556595 0.99483764 0.72474734 1
C C4 1 0.52342482 0.80759703 0.53782391 1
C C5 1 0.77308275 0.22448430 0.62094623 1
C C6 1 0.08591623 -0.08876442 0.30833312 1
C C7 1 0.83556595 0.49483764 0.22474734 1
| -154.521431 |
3,808 | C-130507-2037-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44253000
_cell_length_b 4.80643000
_cell_length_c 5.96311000
_cell_angle_alpha 60.21114000
_cell_angle_beta 78.25574000
_cell_angle_gamma 75.28207000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.51220344
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.54553346 0.53761766 0.51659952 1
C C1 1 0.05698940 0.68407808 0.34235975 1
C C2 1 -0.19463937 0.94660638 0.58720484 1
C C3 1 0.08785925 0.09706468 0.88111268 1
C C4 1 0.90444538 1.02470009 0.30992930 1
C C5 1 0.33697862 0.51024780 -0.03228822 1
C C6 1 0.91333622 0.28549656 0.04164289 1
C C7 1 0.37290113 0.72250009 0.67956198 1
C C8 1 0.63272867 0.17992762 0.70277021 1
C C9 1 0.16832175 0.74138075 1.07351514 1
| -154.181712 |
5,273 | C-170904-2880-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48896000
_cell_length_b 4.97396000
_cell_length_c 4.30432000
_cell_angle_alpha 89.98324000
_cell_angle_beta 106.81969000
_cell_angle_gamma 120.05828000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.47005436
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.00422602 0.07202455 0.62267057 1
C C1 1 0.25434488 0.88492415 0.49767738 1
C C2 1 0.00422602 0.82202455 0.12267057 1
C C3 1 0.00422602 0.57202455 0.62267057 1
C C4 1 1.00422602 0.32202455 0.12267057 1
C C5 1 0.25434488 0.63492415 -0.00232262 1
C C6 1 1.25434488 0.38492415 0.49767738 1
C C7 1 0.25434488 0.13492415 -0.00232262 1
| -154.544968 |
2,096 | C-113070-261-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47374000
_cell_length_b 4.80360000
_cell_length_c 4.80353000
_cell_angle_alpha 127.07996000
_cell_angle_beta 75.06013000
_cell_angle_gamma 104.94075000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.60871733
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.13768956 0.55089248 0.71128394 1
C C1 1 0.70129102 0.44714170 0.48150755 1
C C2 1 0.95129677 0.36378710 -0.10184952 1
C C3 1 0.88768381 0.63424708 0.29464101 1
C C4 1 0.45129677 0.86378710 0.39815048 1
C C5 1 0.20129102 0.94714170 0.98150755 1
C C6 1 0.63768956 1.05089248 0.21128394 1
C C7 1 0.38768381 0.13424708 0.79464101 1
| -154.523195 |
5,967 | C-172971-7940-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49540000
_cell_length_b 4.50445000
_cell_length_c 7.85328000
_cell_angle_alpha 75.40075000
_cell_angle_beta 84.05199000
_cell_angle_gamma 73.33709000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 81.78999216
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.19778558 0.33946851 0.99258124 1
C C1 1 0.91878720 0.38257496 0.45314328 1
C C2 1 0.58744843 0.71038757 0.16867454 1
C C3 1 -0.02751133 0.85304300 0.23748941 1
C C4 1 0.63659552 0.69424942 -0.02533799 1
C C5 1 0.21327663 0.72614723 0.69723772 1
C C6 1 -0.13308785 0.18558366 0.16707511 1
C C7 1 0.68202562 -0.13527035 0.58867938 1
C C8 1 0.90909937 1.20960007 0.83485028 1
C C9 1 0.37267436 1.34728253 0.72841848 1
C C10 1 0.81927132 0.38726586 0.26954378 1
C C11 1 0.83924147 0.73445569 0.42968015 1
C C12 1 0.47414240 0.23411558 0.55642360 1
C C13 1 0.09815634 0.83841137 0.87186572 1
| -154.129681 |
10,047 | C-80170-5210-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48854000
_cell_length_b 4.80486000
_cell_length_c 7.72939000
_cell_angle_alpha 90.45582000
_cell_angle_beta 91.44317000
_cell_angle_gamma 103.23803000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 89.92761147
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.10091689 0.67345161 0.52048102 1
C C1 1 1.36393387 0.20289849 0.14020050 1
C C2 1 0.90377953 0.20037532 1.01962887 1
C C3 1 1.10840641 0.44435752 0.88843063 1
C C4 1 0.83581282 0.90555183 0.92918210 1
C C5 1 0.60897572 0.42286434 0.76730165 1
C C6 1 0.43684820 0.45009464 0.27109955 1
C C7 1 0.12021912 0.91456975 0.23741412 1
C C8 1 -0.06783940 0.42831501 0.38722755 1
C C9 1 0.75958568 0.93120016 0.74425691 1
C C10 1 0.49835879 0.73790458 0.18320212 1
C C11 1 0.30201042 0.73130505 0.98469811 1
C C12 1 0.63442748 0.66618132 0.63884387 1
C C13 1 0.16358288 -0.03506424 0.42869435 1
C C14 1 0.67138459 0.16417294 0.66913261 1
C C15 1 -0.26436548 0.14040398 0.47903594 1
| -154.15116 |
9,495 | C-104318-4900-59 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48452000
_cell_length_b 6.49546000
_cell_length_c 7.11275000
_cell_angle_alpha 88.92947000
_cell_angle_beta 100.05787000
_cell_angle_gamma 89.98253000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 113.00175184
_cell_formula_units_Z 20
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.53468470 0.28713109 1.02711925 1
C C1 1 1.08921277 0.34625515 0.13594320 1
C C2 1 0.26919588 0.85248339 0.49618283 1
C C3 1 0.77208349 0.54992661 0.50458480 1
C C4 1 0.66321456 0.63912352 0.28715114 1
C C5 1 -0.01252925 0.94985378 0.93838832 1
C C6 1 0.63909059 0.04308448 0.24392473 1
C C7 1 0.43884351 0.37997529 0.83803366 1
C C8 1 0.10582485 0.58298173 0.17053365 1
C C9 1 0.16167883 0.17037996 0.28715744 1
C C10 1 0.31678128 0.64603816 0.59641882 1
C C11 1 0.32868249 0.02917366 0.62106748 1
C C12 1 -0.11207184 0.05520492 0.74130903 1
C C13 1 0.79134343 0.33102774 0.54194401 1
C C14 1 0.43400423 0.61834948 0.82856538 1
C C15 1 0.89336310 0.29484003 0.74962603 1
C C16 1 0.26386008 0.22108242 0.48659014 1
C C17 1 0.53518784 1.04063532 0.03160382 1
C C18 1 -0.01345514 0.70083579 0.93630720 1
C C19 1 0.70476510 0.85468259 0.36809096 1
| -154.345038 |
5,711 | C-176654-3153-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.53319000
_cell_length_b 2.45469000
_cell_length_c 6.46384000
_cell_angle_alpha 90.08736000
_cell_angle_beta 100.33726000
_cell_angle_gamma 91.41470000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.52825044
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.27043829 0.92573545 0.21101996 1
C C1 1 0.21568131 0.42396927 0.10461475 1
C C2 1 0.55709568 0.43296326 0.77015004 1
C C3 1 0.44273844 0.43283344 0.54003277 1
C C4 1 0.10414990 0.42809349 0.87401481 1
C C5 1 0.38555798 0.93061828 0.43285327 1
| -154.079647 |
887 | C-80178-6213-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48966000
_cell_length_b 4.67145000
_cell_length_c 7.38505000
_cell_angle_alpha 125.24561000
_cell_angle_beta 89.99896000
_cell_angle_gamma 90.00109000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 70.14555842
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.54630875 0.23883191 0.67267758 1
C C1 1 0.04639822 0.61560527 0.59443183 1
C C2 1 0.04624527 0.41712284 0.34618364 1
C C3 1 0.54625303 0.95787822 0.40732633 1
C C4 1 0.04624998 0.64535415 0.05007724 1
C C5 1 0.54634424 0.89966847 0.89080427 1
C C6 1 1.04622949 0.71429797 0.29638452 1
C C7 1 0.54642260 0.54707516 0.67431909 1
C C8 1 0.04635338 0.98970753 0.82297608 1
C C9 1 0.54625493 0.85195399 1.06778379 1
C C10 1 1.04630943 0.28074191 0.80845743 1
C C11 1 0.54624469 0.18202757 0.28965191 1
| -154.090603 |
7,157 | C-152597-8815-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56284000
_cell_length_b 2.47943000
_cell_length_c 5.74133000
_cell_angle_alpha 77.51498000
_cell_angle_beta 81.91306000
_cell_angle_gamma 45.69640000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.43398103
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.55859141 0.43307103 0.68919752 1
C C1 1 1.06206780 0.27684848 0.99356866 1
C C2 1 0.06672531 0.69407692 0.14871379 1
C C3 1 0.56998437 0.53817059 0.45277716 1
C C4 1 0.57058480 0.10888630 0.30975613 1
C C5 1 0.55816821 0.86188477 0.83280183 1
| -154.290873 |
133 | C-189707-2485-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44459000
_cell_length_b 4.80757000
_cell_length_c 5.49106000
_cell_angle_alpha 70.40632000
_cell_angle_beta 90.06798000
_cell_angle_gamma 104.68110000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.56289390
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.01920038 0.27823666 0.66336305 1
C C1 1 0.31286419 0.87359265 0.39789686 1
C C2 1 0.58821966 0.42190695 0.00555398 1
C C3 1 0.76813728 0.77845909 0.57658988 1
C C4 1 0.73926848 0.72962089 1.03796810 1
C C5 1 0.48581428 0.22227951 0.28249393 1
C C6 1 0.59540110 0.42997989 0.73681039 1
C C7 1 0.22477807 0.70119322 0.21201776 1
C C8 1 0.85088671 0.94179573 0.76888597 1
C C9 1 1.05191966 0.35333112 0.37544239 1
| -154.183427 |
1,788 | C-72754-2980-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47626000
_cell_length_b 3.72265000
_cell_length_c 4.92030000
_cell_angle_alpha 67.75759000
_cell_angle_beta 59.74181000
_cell_angle_gamma 89.97531000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.21986997
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.90949474 0.84960797 0.04996584 1
C C1 1 -0.09087237 0.80342694 0.55071553 1
C C2 1 0.90977628 0.25753541 1.05009294 1
C C3 1 0.18680790 0.64633671 0.27269983 1
C C4 1 0.18796597 0.69273337 0.77175372 1
C C5 1 0.18758977 0.23849490 0.27223504 1
| -154.290756 |
3,354 | C-76024-6052-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43068000
_cell_length_b 3.85387000
_cell_length_c 6.84646000
_cell_angle_alpha 106.41185000
_cell_angle_beta 75.82502000
_cell_angle_gamma 84.30837000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.66258960
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.60791509 0.72886116 0.44177526 1
C C1 1 0.43995373 0.06156250 0.60916063 1
C C2 1 0.68959354 0.56122310 0.85967107 1
C C3 1 0.35772649 0.22864578 0.19205127 1
C C4 1 0.85747993 0.22838767 0.69241919 1
C C5 1 0.10729189 0.72821951 -0.05735668 1
C C6 1 -0.06006847 1.06163281 0.10921702 1
C C7 1 0.19033931 0.56203837 0.35865435 1
| -154.452488 |
8,060 | C-22169-846-66 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47715000
_cell_length_b 5.67413000
_cell_length_c 12.20172000
_cell_angle_alpha 61.28645000
_cell_angle_beta 78.08181000
_cell_angle_gamma 86.62390000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C24
_cell_volume 147.00903721
_cell_formula_units_Z 24
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.53901821 0.86674932 0.52701875 1
C C1 1 0.01114769 0.50596769 0.46567958 1
C C2 1 0.58683172 0.20519808 0.84028721 1
C C3 1 -0.30320078 0.68830421 0.26604251 1
C C4 1 0.07577839 0.70079225 0.53498726 1
C C5 1 0.58166009 0.52201601 0.39763997 1
C C6 1 0.64195111 0.12226046 0.39450362 1
C C7 1 1.13461451 0.35856568 0.77000960 1
C C8 1 0.93769986 0.72282511 0.03468891 1
C C9 1 1.07307887 0.80354590 0.89588382 1
C C10 1 1.06876470 0.56483868 0.88659011 1
C C11 1 0.30653576 0.30041547 0.19197278 1
C C12 1 1.20429455 0.41521791 0.63801675 1
C C13 1 0.94971548 0.29817602 0.00008919 1
C C14 1 0.76105012 1.01123225 0.68024198 1
C C15 1 0.20277191 0.17177948 0.32341629 1
C C16 1 0.39370899 0.83744173 0.06619579 1
C C17 1 0.31169172 0.87948942 0.65888197 1
C C18 1 1.25571746 0.74184755 0.20327467 1
C C19 1 0.17704695 0.60731906 0.76883447 1
C C20 1 0.78239743 0.30852775 0.60383623 1
C C21 1 0.87163990 0.38538801 0.11316736 1
C C22 1 0.62627271 -0.04189428 0.82657322 1
C C23 1 0.46561446 0.15130765 -0.01652974 1
| -154.101805 |
5,906 | C-9620-6892-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48103000
_cell_length_b 4.14193000
_cell_length_c 7.82695000
_cell_angle_alpha 105.34245000
_cell_angle_beta 118.37524000
_cell_angle_gamma 89.98637000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.49540265
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.56446239 0.92646453 0.43068001 1
C C1 1 0.76797373 0.45430098 0.89750169 1
C C2 1 0.13715730 0.25834526 0.81055717 1
C C3 1 0.63344520 0.73781652 0.80894563 1
C C4 1 0.29897950 0.50449590 0.58606970 1
C C5 1 1.23826818 0.94749504 0.87908186 1
C C6 1 1.10027814 0.56524473 0.11940501 1
C C7 1 0.06391265 0.69913942 0.43020595 1
C C8 1 -0.27040278 0.45586107 0.20623719 1
C C9 1 0.23046647 0.93693004 0.20748200 1
C C10 1 0.62568840 0.07651543 0.13739171 1
C C11 1 0.79981231 0.27730309 0.58649088 1
| -154.391416 |
6,166 | C-142803-3273-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45486000
_cell_length_b 3.35335000
_cell_length_c 7.37756000
_cell_angle_alpha 92.92054000
_cell_angle_beta 99.58799000
_cell_angle_gamma 111.59858000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 55.26003137
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.54454978 -0.16212993 0.84986681 1
C C1 1 0.18795455 0.46588024 0.50621345 1
C C2 1 1.11530503 0.70125880 0.12762764 1
C C3 1 0.06492699 0.79148525 0.93887246 1
C C4 1 1.00162829 0.03577558 0.56363466 1
C C5 1 0.46825145 0.88121080 0.65343246 1
C C6 1 0.63679542 0.65651932 0.21721695 1
C C7 1 0.71824478 0.61852614 0.41485626 1
| -154.194409 |
8,783 | C-13685-851-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09090000
_cell_length_b 3.97160000
_cell_length_c 7.70700000
_cell_angle_alpha 94.33248000
_cell_angle_beta 109.61121000
_cell_angle_gamma 71.77677000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 84.60596890
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.74574842 1.10049463 0.48692172 1
C C1 1 0.74430567 0.59978987 0.98696510 1
C C2 1 1.07680114 0.43193278 0.15370607 1
C C3 1 1.07616846 0.93165717 0.65372973 1
C C4 1 0.41123028 0.60001769 0.65373884 1
C C5 1 0.74417946 0.93230991 0.32004174 1
C C6 1 0.40862441 -0.06869420 0.98700364 1
C C7 1 0.41183895 0.10027404 0.15371939 1
C C8 1 0.07921162 0.60069969 0.32010309 1
C C9 1 0.74218502 0.43142625 0.82009722 1
C C10 1 0.41004493 0.43193495 0.48696127 1
C C11 1 0.07715326 0.09973140 0.82017559 1
| -154.428467 |
5,007 | C-91005-4771-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51764000
_cell_length_b 6.59588000
_cell_length_c 9.54196000
_cell_angle_alpha 65.20615000
_cell_angle_beta 85.74529000
_cell_angle_gamma 78.33112000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C24
_cell_volume 140.86535348
_cell_formula_units_Z 24
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.83692253 0.64091117 0.75016643 1
C C1 1 1.18996018 0.61989828 0.21472366 1
C C2 1 0.02555911 0.58337467 0.62224132 1
C C3 1 1.23319276 0.18002210 0.80872054 1
C C4 1 0.29526666 0.46164924 0.13200633 1
C C5 1 0.29037606 0.27961820 0.52865565 1
C C6 1 0.77395861 0.36019415 0.42780667 1
C C7 1 0.87951896 0.20197859 0.34499260 1
C C8 1 0.50475082 -0.04469085 0.83274749 1
C C9 1 0.56506815 0.86507386 0.72641276 1
C C10 1 -0.04588286 0.98877553 0.48683202 1
C C11 1 0.50333268 0.03042533 0.19959625 1
C C12 1 0.67817839 0.59944894 0.30871839 1
C C13 1 0.88195077 0.46999315 0.90242883 1
C C14 1 1.11519697 0.83267929 1.07284416 1
C C15 1 0.03919223 0.77827726 0.45909614 1
C C16 1 0.39084853 0.22313311 0.25064592 1
C C17 1 0.56583565 0.79245512 0.35922145 1
C C18 1 0.18818059 0.35177865 0.65682114 1
C C19 1 0.64588936 0.80132446 0.99145829 1
C C20 1 1.04437371 0.23803685 0.93649053 1
C C21 1 1.03035049 0.04414537 1.09967595 1
C C22 1 0.42331198 0.01983166 0.56815903 1
C C23 1 0.77904738 0.54211118 1.03096924 1
| -154.256378 |
8,551 | C-148246-9859-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43114000
_cell_length_b 4.48441000
_cell_length_c 6.20314000
_cell_angle_alpha 67.56936000
_cell_angle_beta 82.72654000
_cell_angle_gamma 68.95221000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.33649864
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.37612453 0.90827666 -0.07106803 1
C C1 1 0.70891510 0.24128216 0.26241526 1
C C2 1 0.87615778 0.90822931 0.42886520 1
C C3 1 -0.04159463 0.74164087 1.01335499 1
C C4 1 1.12556426 0.40865481 0.17992471 1
C C5 1 0.62560070 0.40859816 0.67987662 1
C C6 1 0.45843241 0.74158435 0.51330744 1
C C7 1 0.20888746 0.24129398 0.76245120 1
| -154.450251 |
8,103 | C-50212-2087-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14096000
_cell_length_b 3.38555000
_cell_length_c 11.13640000
_cell_angle_alpha 99.93249000
_cell_angle_beta 84.40744000
_cell_angle_gamma 78.39301000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C22
_cell_volume 149.22131469
_cell_formula_units_Z 22
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.88410246 0.90132893 1.00752035 1
C C1 1 0.38522477 0.49290338 0.28827171 1
C C2 1 0.38251914 0.76942701 0.10130197 1
C C3 1 0.88920346 0.19067413 0.50158271 1
C C4 1 0.72288418 1.03395922 0.91328996 1
C C5 1 0.30526284 0.19439937 0.48458086 1
C C6 1 0.73365807 0.30721546 0.72676092 1
C C7 1 0.89194173 0.17515097 0.81935438 1
C C8 1 0.72021492 0.75732307 0.10051375 1
C C9 1 0.21777331 0.63767297 0.19510562 1
C C10 1 0.85793190 0.48559741 0.62800980 1
C C11 1 0.38588208 1.03756687 0.91143363 1
C C12 1 0.41673669 0.20416653 0.70221086 1
C C13 1 0.22754374 0.15982654 0.81607583 1
C C14 1 0.53082704 0.78707593 0.61337376 1
C C15 1 0.25833485 0.48463792 0.61447543 1
C C16 1 0.63917790 -0.09512811 0.49223705 1
C C17 1 0.88346217 0.62028082 0.19581884 1
C C18 1 0.21233465 0.42013592 0.38802058 1
C C19 1 0.21827268 0.90905061 1.00762035 1
C C20 1 0.72260717 0.47363700 0.28734007 1
C C21 1 -0.15233017 0.48815755 0.40740660 1
| -154.09415 |
15 | C-152595-6978-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51124000
_cell_length_b 4.19125000
_cell_length_c 4.11307000
_cell_angle_alpha 119.39259000
_cell_angle_beta 89.96673000
_cell_angle_gamma 72.35860000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.35863513
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.41193902 0.16334729 0.64445802 1
C C1 1 0.60467264 0.77543992 0.60090337 1
C C2 1 0.21860836 0.55165317 0.35806311 1
C C3 1 0.41134198 0.16374579 0.31450847 1
C C4 1 0.60450104 0.77563650 0.97018494 1
C C5 1 0.21877996 0.55145659 0.98878154 1
| -154.229604 |
5,432 | C-193956-5355-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45597000
_cell_length_b 4.68165000
_cell_length_c 8.44759000
_cell_angle_alpha 70.00051000
_cell_angle_beta 114.50712000
_cell_angle_gamma 112.32957000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 79.76614127
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.38538199 0.93178257 0.84565466 1
C C1 1 0.22711557 0.90388881 0.12503373 1
C C2 1 0.71551793 0.42970349 0.41527746 1
C C3 1 0.74890721 0.42158378 0.97851354 1
C C4 1 0.18837152 0.56463266 0.87496661 1
C C5 1 0.11597400 0.80685955 0.41048499 1
C C6 1 0.44845480 0.76924868 0.61137122 1
C C7 1 0.65551744 1.05249001 1.01661209 1
C C8 1 0.77325079 0.31170980 0.60531192 1
C C9 1 0.77202091 1.01381803 0.72348059 1
C C10 1 -0.02857371 0.54799743 0.14084728 1
C C11 1 0.61231701 -0.02900088 0.31501522 1
C C12 1 -0.02265762 0.33638432 0.31582605 1
C C13 1 -0.08205423 0.57472054 0.67920925 1
| -154.070261 |
6,287 | C-76012-3178-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74637000
_cell_length_b 2.77326000
_cell_length_c 5.70946000
_cell_angle_alpha 83.41539000
_cell_angle_beta 89.91899000
_cell_angle_gamma 80.85615000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.17066888
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.80553536 0.58858249 0.11081016 1
C C1 1 0.31252362 0.58347418 0.34208453 1
C C2 1 -0.06375700 0.58961825 0.34219873 1
C C3 1 0.62414873 0.58620909 0.73167287 1
C C4 1 0.93478343 0.59340345 0.87963026 1
C C5 1 0.62539968 0.58942375 0.48898209 1
C C6 1 0.44214883 0.58826503 0.11085024 1
C C7 1 0.31139535 0.58707306 0.87923531 1
| -154.074644 |
8,056 | C-13663-1651-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.55348000
_cell_length_b 4.10404000
_cell_length_c 6.44051000
_cell_angle_alpha 50.16530000
_cell_angle_beta 76.73877000
_cell_angle_gamma 70.19671000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.75604847
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.87828127 0.59925825 0.97074201 1
C C1 1 1.24587340 -0.15958075 0.97082366 1
C C2 1 -0.01744468 0.14332170 0.22060530 1
C C3 1 0.13943437 0.29652811 0.72096097 1
C C4 1 0.98252552 0.64332517 0.72060558 1
C C5 1 0.24578164 0.34042097 0.47082594 1
C C6 1 0.87820309 1.09925444 0.47074533 1
C C7 1 0.13945449 0.79652461 0.22096061 1
| -154.154511 |
490 | C-176681-3152-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48744000
_cell_length_b 4.30513000
_cell_length_c 4.30605000
_cell_angle_alpha 119.97199000
_cell_angle_beta 106.81798000
_cell_angle_gamma 106.78955000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.59880121
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.49695343 0.41090206 0.43510654 1
C C1 1 0.24701837 0.99412667 0.35166393 1
C C2 1 0.24701837 0.66079334 0.68499726 1
C C3 1 0.24701837 0.32746000 0.01833060 1
C C4 1 0.49695343 0.74423540 0.10177320 1
C C5 1 0.49695343 1.07756873 0.76843987 1
| -154.544839 |
1,597 | C-184054-4402-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48773000
_cell_length_b 2.48760000
_cell_length_c 6.08722000
_cell_angle_alpha 89.96289000
_cell_angle_beta 89.99992000
_cell_angle_gamma 120.02621000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.61508672
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.72909967 0.88663527 0.15745523 1
C C1 1 0.06219451 0.55326090 0.49078464 1
C C2 1 0.39608236 0.22002002 0.82411416 1
C C3 1 0.39585922 0.22012172 0.07483507 1
C C4 1 0.72887653 0.88673697 0.40817614 1
C C5 1 0.06276438 0.55349609 0.74150566 1
| -154.542084 |
2,681 | C-152556-5725-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47283000
_cell_length_b 3.23388000
_cell_length_c 6.10885000
_cell_angle_alpha 58.07309000
_cell_angle_beta 78.26980000
_cell_angle_gamma 67.44427000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 38.28986712
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.07454575 -0.09633488 0.76679100 1
C C1 1 0.71364417 0.62582885 0.76685735 1
C C2 1 0.39253929 -0.10491113 0.13867349 1
C C3 1 -0.10617465 0.48208189 0.54804197 1
C C4 1 0.89303533 0.04743951 0.98569133 1
C C5 1 0.39419731 0.63462676 0.39495285 1
| -154.253801 |
9,768 | C-41276-8743-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.29802000
_cell_length_b 4.00760000
_cell_length_c 6.58375000
_cell_angle_alpha 107.69001000
_cell_angle_beta 94.73823000
_cell_angle_gamma 89.99470000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 82.59168066
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.27686802 0.41114669 0.01326071 1
C C1 1 0.97842437 0.33707891 0.16077318 1
C C2 1 -0.09262248 0.61066237 0.69640166 1
C C3 1 0.04647443 -0.01428082 0.45833346 1
C C4 1 0.11988802 0.72404933 0.92373197 1
C C5 1 0.44382696 1.00799374 0.91969771 1
C C6 1 0.42836197 0.13814635 0.41533302 1
C C7 1 0.21051684 0.71214787 0.54664817 1
C C8 1 0.59689457 0.53251040 0.20381961 1
C C9 1 0.31364388 0.43363977 0.34874607 1
C C10 1 0.81797034 0.97501241 0.07332265 1
C C11 1 0.75011470 0.20783678 0.60667660 1
C C12 1 0.71274738 0.89420112 0.27043099 1
C C13 1 0.58498740 0.89822729 0.70046361 1
| -154.149586 |
8,629 | C-40134-7379-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45739000
_cell_length_b 3.40878000
_cell_length_c 5.87795000
_cell_angle_alpha 74.04982000
_cell_angle_beta 65.28397000
_cell_angle_gamma 68.45042000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.17037260
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.04653849 0.24539477 0.69378625 1
C C1 1 0.79983622 0.18503051 0.96998359 1
C C2 1 0.66533922 0.26131691 0.56720065 1
C C3 1 0.27557576 0.98323813 0.09759241 1
C C4 1 0.43949366 0.52220521 0.16303876 1
C C5 1 0.91341316 0.32104738 0.29107243 1
| -154.145978 |
3,231 | C-126169-9026-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56845000
_cell_length_b 3.66540000
_cell_length_c 5.14644000
_cell_angle_alpha 82.04425000
_cell_angle_beta 116.69154000
_cell_angle_gamma 106.71022000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 73.73910184
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.40802994 0.66464169 0.28232293 1
C C1 1 0.70493684 0.56603377 0.39009200 1
C C2 1 0.16589945 0.31208294 0.64555896 1
C C3 1 0.39772924 0.10974070 0.84324714 1
C C4 1 0.27006198 0.90471479 1.03935788 1
C C5 1 0.19419791 0.53820073 0.41390899 1
C C6 1 0.71594450 0.12154384 0.82980136 1
C C7 1 0.91880358 0.69062942 0.25867446 1
C C8 1 0.84290184 0.32571428 0.63302433 1
C C9 1 0.94647282 0.91675874 1.02664454 1
| -154.192347 |
1,188 | C-177264-2024-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45544000
_cell_length_b 4.23658000
_cell_length_c 5.26552000
_cell_angle_alpha 56.96943000
_cell_angle_beta 76.51093000
_cell_angle_gamma 89.98207000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 44.11210378
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.06495755 0.38834549 0.13098294 1
C C1 1 0.01685946 0.30424030 0.60467644 1
C C2 1 0.87963703 -0.02360326 0.23723962 1
C C3 1 0.43748374 1.06105315 0.76361771 1
C C4 1 0.33969800 0.47270063 0.25674011 1
C C5 1 0.83758749 0.67020821 0.60237565 1
C C6 1 0.25621431 0.69528058 0.76582203 1
C C7 1 0.41036973 0.89194190 0.11182590 1
| -154.09478 |
5,789 | C-92105-6529-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43090000
_cell_length_b 3.26738000
_cell_length_c 6.06842000
_cell_angle_alpha 80.87025000
_cell_angle_beta 91.29077000
_cell_angle_gamma 114.44221000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.27401219
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.06893836 -0.17853561 0.07698949 1
C C1 1 0.40227169 0.48813106 0.41032282 1
C C2 1 0.51290061 0.70823464 0.18790781 1
C C3 1 0.84623394 0.37490131 0.52124114 1
C C4 1 0.73560503 1.15479773 0.74365616 1
C C5 1 1.17956727 1.04156797 0.85457448 1
| -154.467399 |
3,080 | C-41268-3496-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.03342000
_cell_length_b 2.42939000
_cell_length_c 6.21372000
_cell_angle_alpha 105.81204000
_cell_angle_beta 79.81546000
_cell_angle_gamma 99.35104000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.04719212
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.62834524 0.89455765 0.56471708 1
C C1 1 0.73929875 0.33976869 0.45334909 1
C C2 1 -0.03830089 0.22790602 0.23135591 1
C C3 1 1.29513495 0.56129847 0.89809392 1
C C4 1 0.07273437 0.67316567 0.12003389 1
C C5 1 0.40614388 1.00653119 0.78674541 1
| -154.435558 |
7,966 | C-56501-2516-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46550000
_cell_length_b 3.21573000
_cell_length_c 7.57857000
_cell_angle_alpha 106.03463000
_cell_angle_beta 90.05520000
_cell_angle_gamma 67.33321000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 52.90951787
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.30316290 0.34032343 0.03923071 1
C C1 1 0.41816078 0.11257049 0.85629806 1
C C2 1 0.20857163 0.53425357 0.59119669 1
C C3 1 0.74195182 0.46276451 0.13835920 1
C C4 1 0.63434686 0.67886084 0.32186696 1
C C5 1 1.08547670 0.77815202 0.43038224 1
C C6 1 0.84820911 0.25614460 0.58829078 1
C C7 1 -0.03145360 0.01179154 0.74810197 1
| -154.252975 |
1,578 | C-189698-2813-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45779000
_cell_length_b 2.53256000
_cell_length_c 6.87694000
_cell_angle_alpha 81.69399000
_cell_angle_beta 110.57526000
_cell_angle_gamma 89.06745000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.55066741
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.04648086 0.40237655 1.05611368 1
C C1 1 0.38207361 0.75621055 0.39074187 1
C C2 1 0.27856622 0.29813644 0.28694814 1
C C3 1 0.61406430 0.64539595 0.62149683 1
C C4 1 0.21927696 0.58317249 0.72794821 1
C C5 1 0.44126076 0.46005592 0.94966747 1
| -154.08482 |
66 | C-96715-726-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.66557000
_cell_length_b 4.19974000
_cell_length_c 4.20158000
_cell_angle_alpha 59.99942000
_cell_angle_beta 53.67810000
_cell_angle_gamma 61.77350000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.65872003
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.60059752 0.13911055 0.08791959 1
C C1 1 0.60045996 0.80638387 0.08789962 1
C C2 1 0.60023301 0.13971634 0.42132030 1
C C3 1 0.60037058 0.47244302 0.42134026 1
C C4 1 0.60054994 0.80574794 0.75464725 1
C C5 1 0.60028060 0.47307895 0.75459264 1
| -154.395914 |
1,251 | C-141035-7356-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44071000
_cell_length_b 2.54805000
_cell_length_c 7.69102000
_cell_angle_alpha 117.58084000
_cell_angle_beta 107.71999000
_cell_angle_gamma 91.67696000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.55494457
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.69088457 0.94901855 0.48492082 1
C C1 1 0.12801358 0.62706686 0.92216399 1
C C2 1 0.46096572 0.61176567 0.25549015 1
C C3 1 0.35905225 0.96452124 0.15174450 1
C C4 1 0.29798617 0.11687797 0.59275778 1
C C5 1 0.52071841 0.45928701 0.81421717 1
| -154.075145 |
265 | C-47648-3167-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41780000
_cell_length_b 3.41372000
_cell_length_c 6.09000000
_cell_angle_alpha 90.02957000
_cell_angle_beta 90.07512000
_cell_angle_gamma 88.62780000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 71.03409444
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.55291166 0.77358438 0.25679085 1
C C1 1 0.79956270 1.04246113 0.10270752 1
C C2 1 0.05299513 0.77275749 0.95909666 1
C C3 1 0.88982638 0.59609572 0.38745900 1
C C4 1 0.30713024 0.50361342 0.10282843 1
C C5 1 0.55288261 0.27272497 0.94944064 1
C C6 1 0.91580950 0.42408851 0.61173316 1
C C7 1 0.05297086 0.27366350 0.24615234 1
C C8 1 0.73573989 0.59393465 0.81396286 1
C C9 1 0.36985115 -0.04807525 0.81402873 1
C C10 1 0.21632998 0.95208563 0.38752288 1
C C11 1 0.19085988 0.12400524 0.61176161 1
| -154.183448 |
10,142 | C-113052-6214-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23461000
_cell_length_b 4.27736000
_cell_length_c 5.68385000
_cell_angle_alpha 104.92809000
_cell_angle_beta 106.10890000
_cell_angle_gamma 93.21588000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 117.01890055
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.59339508 0.16214857 0.11443468 1
C C1 1 0.76903839 -0.01706435 0.46928950 1
C C2 1 1.02280981 0.16783004 0.53720200 1
C C3 1 0.43838226 0.22814706 -0.11043883 1
C C4 1 0.30767026 0.75722105 0.23604126 1
C C5 1 0.54405200 0.96350068 0.26315925 1
C C6 1 0.30720245 0.57389699 0.41611010 1
C C7 1 0.59434485 0.45168031 0.82105463 1
C C8 1 0.02240104 0.87745104 0.82965035 1
C C9 1 0.84851535 0.52135994 0.00692503 1
C C10 1 0.17857916 0.10121267 0.76125671 1
C C11 1 0.07247520 0.72680576 0.02599091 1
C C12 1 0.84805122 0.34686804 0.18238719 1
C C13 1 0.54330215 0.60322642 0.62506179 1
C C14 1 0.07151107 0.36671537 0.38855212 1
C C15 1 0.76885200 0.80816961 0.64477482 1
| -154.320348 |
7,812 | C-126145-2991-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.02119000
_cell_length_b 2.43567000
_cell_length_c 6.40274000
_cell_angle_alpha 100.74558000
_cell_angle_beta 91.01393000
_cell_angle_gamma 68.22914000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.91914921
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.67785727 0.24169806 0.55466099 1
C C1 1 0.67941653 1.13055763 0.33261537 1
C C2 1 -0.32015342 0.90783393 -0.11156108 1
C C3 1 0.67957099 0.79771376 0.66646607 1
C C4 1 0.67885723 0.57445419 0.22162575 1
C C5 1 0.68088621 0.46384783 -0.00035200 1
| -154.438099 |
5,787 | C-73651-4102-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.24582000
_cell_length_b 4.54238000
_cell_length_c 4.21049000
_cell_angle_alpha 79.28814000
_cell_angle_beta 75.08732000
_cell_angle_gamma 75.04283000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.47877281
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.27034106 0.18917306 0.83167480 1
C C1 1 0.02034106 0.43917306 0.33167480 1
C C2 1 0.77034106 0.68917306 0.83167480 1
C C3 1 0.01841026 0.43832527 0.66579095 1
C C4 1 0.26841026 0.18832527 0.16579095 1
C C5 1 0.76841026 0.68832527 0.16579095 1
C C6 1 0.52034106 0.93917306 0.33167480 1
C C7 1 0.51841026 -0.06167473 0.66579095 1
| -154.456383 |
1,472 | C-57131-7379-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46537000
_cell_length_b 3.22485000
_cell_length_c 7.47960000
_cell_angle_alpha 75.15395000
_cell_angle_beta 89.90741000
_cell_angle_gamma 67.35590000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 52.73535513
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.88658092 0.71075942 -0.01401251 1
C C1 1 0.75884813 -0.03473671 0.14783447 1
C C2 1 0.41910206 0.64369846 0.43921924 1
C C3 1 0.30617994 -0.13126026 0.25664893 1
C C4 1 0.65315774 0.17724463 0.82793963 1
C C5 1 0.98232341 0.51666080 0.53791636 1
C C6 1 0.10330606 0.27816900 0.71931650 1
C C7 1 0.52691713 0.43212987 0.98947739 1
| -154.245204 |
3,752 | C-184068-6075-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43760000
_cell_length_b 4.23362000
_cell_length_c 8.06936000
_cell_angle_alpha 53.46354000
_cell_angle_beta 81.27328000
_cell_angle_gamma 89.91463000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 65.71980990
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.96958016 0.69269033 0.59494239 1
C C1 1 0.79467163 0.57113883 -0.02920305 1
C C2 1 -0.05600657 0.28141318 0.65994980 1
C C3 1 0.61078365 0.55979348 0.33415366 1
C C4 1 0.27822544 0.02843018 1.00107367 1
C C5 1 0.49105225 0.23539215 0.56464701 1
C C6 1 0.82500575 -0.01748439 0.90577517 1
C C7 1 0.47793725 0.86446372 0.58231280 1
C C8 1 0.16326360 0.70366496 0.23161283 1
C C9 1 0.28643204 0.39907007 0.98370201 1
| -154.271575 |
495 | C-126187-3348-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51721000
_cell_length_b 3.51604000
_cell_length_c 3.31809000
_cell_angle_alpha 90.01197000
_cell_angle_beta 90.01466000
_cell_angle_gamma 60.03179000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.54756976
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.50034675 -0.04658576 0.64194585 1
C C1 1 0.26808648 0.72131050 0.47432277 1
C C2 1 -0.03565941 0.02538927 0.14213503 1
C C3 1 0.50046926 0.25737395 0.30763765 1
C C4 1 0.19638137 0.25727282 0.97422719 1
C C5 1 0.96431485 0.72112352 0.80765571 1
| -154.409791 |
3,134 | C-126145-2991-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.56672000
_cell_length_b 4.38842000
_cell_length_c 6.71129000
_cell_angle_alpha 112.58933000
_cell_angle_beta 116.49837000
_cell_angle_gamma 69.55294000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 60.99737404
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.40836208 -0.14642286 0.60834211 1
C C1 1 0.53094292 0.23273470 0.41158704 1
C C2 1 0.73494988 0.89437069 0.46256920 1
C C3 1 0.59243113 0.62157993 0.24625050 1
C C4 1 0.85742230 0.27351585 0.26598207 1
C C5 1 0.09730145 0.43279234 0.83177040 1
C C6 1 0.16736231 0.69373674 0.04262484 1
C C7 1 0.45999387 0.10708654 0.83535618 1
C C8 1 0.67317129 0.50534781 0.62794293 1
C C9 1 -0.19445582 0.01963807 0.03919865 1
| -154.163177 |
7,468 | C-172965-3737-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48791000
_cell_length_b 3.51681000
_cell_length_c 8.96491000
_cell_angle_alpha 101.31599000
_cell_angle_beta 82.03172000
_cell_angle_gamma 90.00870000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 76.14153131
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.89085149 -0.05856037 0.56234155 1
C C1 1 0.04012394 0.79892042 0.27652440 1
C C2 1 0.46471854 0.36958034 0.41914997 1
C C3 1 0.54014369 0.54837996 0.27645236 1
C C4 1 -0.03530677 0.12050777 0.41919264 1
C C5 1 0.82155470 0.26259854 0.70480995 1
C C6 1 0.68806713 0.40627506 0.99051840 1
C C7 1 0.39078728 0.69191421 0.56236549 1
C C8 1 0.18810721 0.65519454 -0.00953845 1
C C9 1 1.11552257 0.97691011 0.13341977 1
C C10 1 0.61540248 0.22740609 0.13343830 1
C C11 1 0.75582516 0.08444703 0.84806654 1
C C12 1 0.32147888 0.51335147 0.70490235 1
C C13 1 0.25582699 -0.16529137 0.84811603 1
| -154.548023 |
292 | C-130501-2246-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46122000
_cell_length_b 4.03955000
_cell_length_c 8.19855000
_cell_angle_alpha 100.67496000
_cell_angle_beta 98.56710000
_cell_angle_gamma 90.02923000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 79.17424528
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.06000876 0.27466897 0.12633547 1
C C1 1 0.83032738 0.90295122 0.28599438 1
C C2 1 0.59564971 0.03917060 0.12119415 1
C C3 1 0.38116325 0.05614800 0.38622188 1
C C4 1 -0.00841088 0.52481948 0.28925674 1
C C5 1 0.86608538 0.48234552 0.69517702 1
C C6 1 0.48313734 0.86279557 0.93412194 1
C C7 1 -0.01195898 0.35537027 0.95256964 1
C C8 1 0.31455052 0.93451481 0.55746996 1
C C9 1 0.54168480 0.44687433 0.38870446 1
C C10 1 0.36346434 0.25175597 0.69189718 1
C C11 1 0.77998600 0.69974955 0.56020327 1
C C12 1 0.44832021 0.18133614 0.86999953 1
C C13 1 0.95888487 0.66619276 0.88428599 1
| -154.134386 |
Subsets and Splits