Unnamed: 0
int64 2
10.1k
| material_id
stringlengths 12
16
| cif
stringlengths 939
1.86k
| energy_per_atom
float64 -154.56
-154.07
|
|---|---|---|---|
3,363 | C-101109-4189-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45206000
_cell_length_b 7.62907000
_cell_length_c 9.64874000
_cell_angle_alpha 129.20659000
_cell_angle_beta 104.78802000
_cell_angle_gamma 80.73763000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 135.23036427
_cell_formula_units_Z 18
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 0.19859263 0.89155312 0.64761803 1
C C1 1 0.87696369 0.40354506 0.58293227 1
C C2 1 0.34654801 0.52992249 0.61520075 1
C C3 1 0.53704102 0.16208363 0.62267129 1
C C4 1 0.19235462 0.76281883 0.07517870 1
C C5 1 0.33709286 0.00647471 0.84699244 1
C C6 1 0.61423814 0.56799660 0.40207177 1
C C7 1 0.99300143 0.26133949 0.13116335 1
C C8 1 0.91016620 0.75844158 0.29486735 1
C C9 1 0.54237920 0.34842186 0.22361690 1
C C10 1 0.19902059 0.63110443 0.51777385 1
C C11 1 0.49192974 0.75522571 0.37560455 1
C C12 1 -0.23109209 0.76766758 0.15417854 1
C C13 1 0.88399006 0.09990230 0.94132875 1
C C14 1 0.61379390 -0.04856415 0.59265674 1
C C15 1 0.04285142 0.72889554 0.91302720 1
C C16 1 0.46508509 0.71091318 0.82674592 1
C C17 1 -0.01875892 0.24229293 0.60848340 1
| -154.201791 |
1,931 | C-134158-3120-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51113000
_cell_length_b 4.97328000
_cell_length_c 5.93567000
_cell_angle_alpha 88.20013000
_cell_angle_beta 77.50902000
_cell_angle_gamma 89.53630000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 72.33755324
_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 0.25074814 0.74485837 0.49053223 1
C C1 1 0.39371730 0.04606375 0.12895748 1
C C2 1 0.15235356 0.02801016 0.55401798 1
C C3 1 0.38568238 0.75414851 0.21303297 1
C C4 1 0.65076731 0.42630440 0.78064685 1
C C5 1 0.05523923 0.43394660 0.93569397 1
C C6 1 1.28260219 0.21497497 0.34867711 1
C C7 1 0.89178406 0.13656979 0.74911025 1
C C8 1 -0.20379058 0.38777862 0.35351897 1
C C9 1 0.92143588 0.59494112 0.15426713 1
C C10 1 0.95142413 0.12604783 0.99510069 1
C C11 1 0.72035380 0.58050378 0.55233667 1
| -154.096924 |
5,436 | C-56512-1663-59 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48344000
_cell_length_b 3.82561000
_cell_length_c 5.22918000
_cell_angle_alpha 81.04526000
_cell_angle_beta 89.99048000
_cell_angle_gamma 71.02917000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.34195284
_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 0.47672483 0.47441340 0.39471534 1
C C1 1 0.26414774 0.90226346 0.33910167 1
C C2 1 0.22669556 0.97576543 0.61775504 1
C C3 1 0.60033563 0.22961755 0.94561159 1
C C4 1 0.65185899 0.12494493 0.23281924 1
C C5 1 0.98785289 0.45269384 0.83906059 1
C C6 1 0.77506475 0.88041725 0.78327879 1
C C7 1 0.02510992 0.37901204 0.56024793 1
| -154.223281 |
8,530 | C-76028-1827-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47439000
_cell_length_b 4.80363000
_cell_length_c 4.28117000
_cell_angle_alpha 63.51696000
_cell_angle_beta 90.00486000
_cell_angle_gamma 75.08586000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.62241356
_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 1.03216193 0.13446579 0.66927881 1
C C1 1 0.78194249 0.63446718 0.75261020 1
C C2 1 0.21859919 0.76042200 0.85611222 1
C C3 1 0.53200191 1.13445985 0.16926629 1
C C4 1 0.46855811 0.26041489 0.43955259 1
C C5 1 0.71841257 0.76042325 0.35610988 1
C C6 1 0.28188289 0.63444214 0.25262642 1
C C7 1 0.96844220 0.26043620 0.93953249 1
| -154.525305 |
8,987 | C-172969-3693-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48128000
_cell_length_b 3.73749000
_cell_length_c 4.57921000
_cell_angle_alpha 90.04467000
_cell_angle_beta 122.82135000
_cell_angle_gamma 89.99729000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.68732496
_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 0.22235736 0.62092303 0.48014572 1
C C1 1 0.01808188 0.11711637 0.77561070 1
C C2 1 0.31206036 0.38366448 0.07051784 1
C C3 1 0.72200834 0.38304301 0.47979851 1
C C4 1 0.81242296 0.62130677 1.07087867 1
C C5 1 0.51835261 0.88740953 0.77588038 1
| -154.151648 |
6,345 | C-13950-3719-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45790000
_cell_length_b 5.20065000
_cell_length_c 8.17335000
_cell_angle_alpha 54.94263000
_cell_angle_beta 90.00013000
_cell_angle_gamma 90.00206000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 85.52274613
_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 0.25261190 0.24740074 0.78405103 1
C C1 1 0.75237406 0.15161845 0.06749287 1
C C2 1 0.75254072 0.34249025 0.84074759 1
C C3 1 0.25243361 0.65210177 0.90217250 1
C C4 1 0.75250546 0.66451637 0.79038983 1
C C5 1 0.25354378 0.00753472 0.47433337 1
C C6 1 0.25347315 0.31358525 0.27408072 1
C C7 1 0.25243036 0.29090270 0.09831053 1
C C8 1 0.25301827 0.39223053 0.56649201 1
C C9 1 0.25274393 0.88279838 0.95602291 1
C C10 1 0.75347789 0.49608658 0.27015199 1
C C11 1 0.75285056 0.83650825 0.08260112 1
C C12 1 0.75308053 0.89771589 0.57235413 1
C C13 1 0.75342568 0.45187421 0.46848969 1
| -154.250135 |
10,045 | C-13915-4927-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51412000
_cell_length_b 4.18340000
_cell_length_c 4.11285000
_cell_angle_alpha 60.59584000
_cell_angle_beta 90.05252000
_cell_angle_gamma 72.61796000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.39260265
_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 0.42335706 0.55852516 0.71376328 1
C C1 1 0.03517350 0.33469409 0.32558145 1
C C2 1 0.42313052 0.55887558 0.34431356 1
C C3 1 0.22926961 0.94665362 0.67004334 1
C C4 1 0.03523247 0.33431404 0.95664813 1
C C5 1 0.22913474 -0.05355078 1.00023464 1
| -154.230829 |
9,310 | C-106899-908-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47288000
_cell_length_b 4.80313000
_cell_length_c 4.94701000
_cell_angle_alpha 75.05677000
_cell_angle_beta 120.03915000
_cell_angle_gamma 120.99335000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.60388781
_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 0.60638608 0.57189661 0.78081194 1
C C1 1 0.39899536 0.69781406 0.94747721 1
C C2 1 0.23163187 0.19782075 0.28074708 1
C C3 1 0.77315502 0.07187870 -0.05247300 1
C C4 1 0.23215043 0.19781104 0.78076212 1
C C5 1 0.77263646 0.07188842 0.44751195 1
C C6 1 0.60579153 0.57188540 0.28079686 1
C C7 1 0.39840081 0.69780285 0.44746214 1
| -154.527085 |
7,923 | C-152573-9805-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42787000
_cell_length_b 5.70892000
_cell_length_c 4.23081000
_cell_angle_alpha 132.42530000
_cell_angle_beta 90.00422000
_cell_angle_gamma 90.00926000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.28644667
_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 0.09432807 0.34734824 0.12883449 1
C C1 1 1.09434086 0.93483072 0.12832238 1
C C2 1 0.59431124 0.77758060 0.98902195 1
C C3 1 0.09434244 0.28614392 0.41924225 1
C C4 1 0.59442632 0.42619305 0.69930337 1
C C5 1 0.59433907 0.36539717 0.98966895 1
| -154.282664 |
3,980 | C-170378-1288-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48820000
_cell_length_b 3.51679000
_cell_length_c 4.30576000
_cell_angle_alpha 65.91594000
_cell_angle_beta 73.20569000
_cell_angle_gamma 90.01848000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.62773882
_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 0.10832709 0.43555075 0.29530242 1
C C1 1 0.60860935 0.68592015 0.29524721 1
C C2 1 0.94194268 0.01925348 0.62858054 1
C C3 1 0.44166042 0.76888409 0.62863576 1
C C4 1 0.77499375 0.10221742 0.96196909 1
C C5 1 0.27527601 0.35258681 -0.03808612 1
| -154.550304 |
4,536 | C-102912-5323-56 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47396000
_cell_length_b 2.47355000
_cell_length_c 8.23554000
_cell_angle_alpha 90.01621000
_cell_angle_beta 89.97882000
_cell_angle_gamma 120.02050000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.63613706
_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 0.04118848 0.31559805 0.68072244 1
C C1 1 1.04195366 0.31648492 0.36764702 1
C C2 1 0.04173476 0.31571517 0.18079522 1
C C3 1 0.70844950 0.64981980 0.43076078 1
C C4 1 0.04090487 0.31530549 -0.13238027 1
C C5 1 0.70789322 0.64900449 0.61759778 1
C C6 1 0.70826043 0.64891339 0.11766324 1
C C7 1 0.70748398 0.64864727 0.93076888 1
| -154.519473 |
4,514 | C-102879-3098-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48474000
_cell_length_b 3.82533000
_cell_length_c 5.97127000
_cell_angle_alpha 68.47984000
_cell_angle_beta 77.99848000
_cell_angle_gamma 108.93526000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.36688887
_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 0.38083477 0.42734041 0.20536325 1
C C1 1 0.95434644 0.12259607 0.75548915 1
C C2 1 1.22177681 0.05553519 0.14916648 1
C C3 1 0.29098339 0.63515602 0.59258764 1
C C4 1 0.76482546 0.35845656 0.37011529 1
C C5 1 0.90747407 0.70452334 0.42773099 1
C C6 1 0.71732133 0.93985916 1.04264127 1
C C7 1 0.45014293 0.00702254 0.64882694 1
| -154.223683 |
5,102 | C-40102-7970-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42691000
_cell_length_b 6.01900000
_cell_length_c 5.33300000
_cell_angle_alpha 102.86356000
_cell_angle_beta 90.12852000
_cell_angle_gamma 114.85008000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 68.50985632
_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 0.74809954 0.58254454 0.94364595 1
C C1 1 1.28707693 0.61864938 0.82761586 1
C C2 1 -0.20077465 0.11147001 1.08206253 1
C C3 1 0.26895455 0.08070051 0.94837642 1
C C4 1 0.27133071 0.08551145 0.46810120 1
C C5 1 1.29119283 0.62384120 0.34745108 1
C C6 1 0.75953878 0.59185965 0.21361292 1
C C7 1 0.12226716 0.94026797 0.67120345 1
C C8 1 0.43940013 0.76444516 0.62473598 1
C C9 1 -0.19171020 0.12019512 0.35162520 1
| -154.191439 |
4,194 | C-47664-5276-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44305000
_cell_length_b 5.71251000
_cell_length_c 7.82165000
_cell_angle_alpha 84.86657000
_cell_angle_beta 89.97659000
_cell_angle_gamma 78.02186000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 106.33503584
_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 0.93317076 0.54707823 0.65480587 1
C C1 1 0.51974855 0.36022776 0.23596141 1
C C2 1 0.66790701 0.03081138 0.50457083 1
C C3 1 0.14170243 0.08015213 0.76743557 1
C C4 1 0.44630995 0.51963910 0.74219778 1
C C5 1 1.17124276 0.04935629 0.08977716 1
C C6 1 0.45603677 0.49963107 0.39069085 1
C C7 1 0.15557724 1.05660647 0.41635309 1
C C8 1 1.09682665 0.19881296 0.24340136 1
C C9 1 0.43373785 0.52882043 0.06817086 1
C C10 1 0.66028214 0.04267405 0.68679173 1
C C11 1 0.50799377 0.37889084 0.91509397 1
C C12 1 0.86213234 0.67395042 0.06823827 1
C C13 1 0.93747179 0.53749191 0.47179014 1
C C14 1 0.74211284 0.90513489 1.08915790 1
C C15 1 1.08475114 0.21758797 0.92278832 1
| -154.250362 |
4,906 | C-13902-2321-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26061000
_cell_length_b 3.63594000
_cell_length_c 3.28216000
_cell_angle_alpha 75.32986000
_cell_angle_beta 80.82476000
_cell_angle_gamma 75.39276000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.23564870
_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 0.46177458 0.90250551 0.91815068 1
C C1 1 0.87849541 0.28458197 0.29077519 1
C C2 1 0.72828789 0.52081461 0.86456378 1
C C3 1 0.51769100 0.28359063 0.65262473 1
C C4 1 1.09019843 0.52140303 0.50401636 1
C C5 1 0.14602060 0.90291684 0.23615945 1
| -154.2009 |
6,250 | C-47629-544-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14993000
_cell_length_b 3.28766000
_cell_length_c 4.58247000
_cell_angle_alpha 108.60142000
_cell_angle_beta 115.22916000
_cell_angle_gamma 102.72130000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.75840487
_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 0.41242486 0.56321702 0.64537372 1
C C1 1 0.72425240 0.07283704 0.47135041 1
C C2 1 1.03551935 0.54874357 0.60757101 1
C C3 1 0.72405723 0.49905413 0.95891817 1
C C4 1 0.72385189 0.03940758 0.78192681 1
C C5 1 0.03548506 -0.12486468 -0.04289855 1
C C6 1 0.72386270 0.61290695 0.29410880 1
C C7 1 0.41244100 0.23686390 0.29597044 1
| -154.160329 |
1,548 | C-152597-8815-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42995000
_cell_length_b 2.42988000
_cell_length_c 8.88766000
_cell_angle_alpha 106.85088000
_cell_angle_beta 80.79938000
_cell_angle_gamma 120.00436000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.48614711
_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 0.23039370 0.51803162 0.54707453 1
C C1 1 0.03398842 1.06423042 0.88063494 1
C C2 1 0.56407970 0.18516205 0.54748129 1
C C3 1 0.29620947 1.04164334 0.21308864 1
C C4 1 0.96329716 0.37391883 0.21251606 1
C C5 1 0.70045244 0.39762184 0.88018483 1
| -154.466246 |
2,602 | C-189742-1338-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43043000
_cell_length_b 3.08007000
_cell_length_c 6.87438000
_cell_angle_alpha 121.29860000
_cell_angle_beta 100.33284000
_cell_angle_gamma 89.85469000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.00650999
_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 0.20913506 1.05904212 0.22495520 1
C C1 1 0.87574947 0.72591865 0.55818818 1
C C2 1 0.09843477 0.61488419 0.00321384 1
C C3 1 0.43171725 -0.05149950 0.66977254 1
C C4 1 0.54246699 0.39230235 0.89162948 1
C C5 1 0.76504919 0.28176073 0.33644682 1
| -154.449728 |
2,376 | C-189698-2813-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48005000
_cell_length_b 4.24189000
_cell_length_c 5.62733000
_cell_angle_alpha 82.20426000
_cell_angle_beta 102.76853000
_cell_angle_gamma 90.01632000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.17548759
_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 -0.26628783 0.54693964 0.45516061 1
C C1 1 0.09296685 0.09824787 0.16985264 1
C C2 1 0.91854928 0.68178899 0.82293883 1
C C3 1 0.60304139 0.59575104 0.18942808 1
C C4 1 0.54900600 0.28452450 0.08309710 1
C C5 1 0.28597918 0.36972778 0.55791577 1
C C6 1 0.24298756 0.04450394 0.47231931 1
C C7 1 0.05040225 0.77230716 0.08610784 1
C C8 1 0.78765640 0.85773732 0.56083417 1
C C9 1 0.41797783 0.46071226 0.82158775 1
| -154.363167 |
6,797 | C-170920-9068-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87563000
_cell_length_b 4.55429000
_cell_length_c 5.69792000
_cell_angle_alpha 62.73074000
_cell_angle_beta 94.13301000
_cell_angle_gamma 90.29515000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 89.11866304
_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 0.85608968 0.82216745 0.06832293 1
C C1 1 0.41728526 0.65317707 0.67534301 1
C C2 1 1.18030025 0.34844944 0.22037162 1
C C3 1 0.53060927 0.31863282 0.89581411 1
C C4 1 0.08898654 0.64277507 0.00885489 1
C C5 1 -0.22906273 0.65713859 0.32261067 1
C C6 1 0.76747292 0.11795908 0.85777773 1
C C7 1 0.41762936 0.14738017 0.18295008 1
C C8 1 -0.02723651 0.11065585 0.65978816 1
C C9 1 0.53125361 0.81305094 0.40325030 1
C C10 1 -0.02447122 0.35568105 0.41834128 1
C C11 1 0.17637607 0.80879857 0.75510401 1
| -154.093834 |
8,047 | C-53804-8031-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46239000
_cell_length_b 4.61830000
_cell_length_c 5.61694000
_cell_angle_alpha 87.42934000
_cell_angle_beta 61.42915000
_cell_angle_gamma 80.37919000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 55.26333354
_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 0.31260108 0.62619400 0.49869593 1
C C1 1 0.48027067 1.22345041 0.72268497 1
C C2 1 -0.25648283 0.86778823 1.03655708 1
C C3 1 0.36441093 -0.07854776 0.35449726 1
C C4 1 0.39294459 0.40590055 0.11007326 1
C C5 1 0.38354913 0.69005887 0.95800594 1
C C6 1 0.62666496 0.56594692 0.66907718 1
C C7 1 0.71341720 0.38375918 0.28142809 1
C C8 1 0.72414453 0.09945416 0.43305274 1
C C9 1 0.79412614 1.16310865 -0.10679567 1
| -154.264644 |
4,248 | C-145340-6787-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48845000
_cell_length_b 4.30296000
_cell_length_c 4.97378000
_cell_angle_alpha 106.80633000
_cell_angle_beta 120.04085000
_cell_angle_gamma 73.19094000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.45883852
_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 0.27313709 0.70716946 0.88035131 1
C C1 1 0.39750182 0.33213536 0.81728044 1
C C2 1 0.77303104 0.20715096 0.13010295 1
C C3 1 0.89780179 0.83206162 0.56750497 1
C C4 1 0.39739846 0.33208413 0.31727913 1
C C5 1 0.27348291 0.70708098 0.38033255 1
C C6 1 0.89737729 0.83215161 0.06752354 1
C C7 1 0.77330010 0.20709397 0.63009331 1
| -154.544089 |
2,367 | C-90858-8157-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.41787000
_cell_length_b 6.45544000
_cell_length_c 5.98632000
_cell_angle_alpha 135.13160000
_cell_angle_beta 80.32836000
_cell_angle_gamma 120.47596000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 53.92105662
_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 0.88452189 0.83743714 0.54449929 1
C C1 1 0.30742046 0.03229287 0.25638633 1
C C2 1 0.96408797 0.38309483 1.00869697 1
C C3 1 0.58362498 0.52030746 0.17688214 1
C C4 1 0.71272086 0.79944748 0.77166618 1
C C5 1 0.83236504 0.10262126 0.41512269 1
C C6 1 0.23990880 0.87183071 -0.06888128 1
C C7 1 0.66005029 0.06403725 0.64176328 1
| -154.126295 |
2,030 | C-56510-2784-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43197000
_cell_length_b 4.20097000
_cell_length_c 6.00420000
_cell_angle_alpha 71.36937000
_cell_angle_beta 79.81340000
_cell_angle_gamma 90.02545000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.10520459
_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 0.81244557 0.09034409 0.14854746 1
C C1 1 0.55490085 1.13873050 0.64833538 1
C C2 1 0.31243414 0.59034248 0.14855479 1
C C3 1 0.31248879 -0.07684570 0.14842268 1
C C4 1 -0.18752027 0.42315535 0.14842558 1
C C5 1 0.05490991 0.63872946 0.64833249 1
C C6 1 0.55495551 0.47154233 0.64820328 1
C C7 1 1.05494408 -0.02845928 0.64821061 1
| -154.448459 |
8,829 | C-193909-3159-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46688000
_cell_length_b 3.35736000
_cell_length_c 6.13787000
_cell_angle_alpha 67.93123000
_cell_angle_beta 77.79990000
_cell_angle_gamma 110.94617000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.33653329
_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 -0.06365073 0.35408103 0.99255039 1
C C1 1 0.21317984 0.23683908 0.32131122 1
C C2 1 0.24897879 0.70784284 0.71857025 1
C C3 1 0.92439094 0.53475051 0.19648489 1
C C4 1 0.89825725 0.88428706 0.59523960 1
C C5 1 0.22494070 0.05590238 0.11763474 1
| -154.144156 |
1,388 | C-152565-20-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.46991000
_cell_length_b 5.47072000
_cell_length_c 3.39575000
_cell_angle_alpha 71.90080000
_cell_angle_beta 90.00346000
_cell_angle_gamma 71.51352000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.76156244
_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 0.14780407 0.77128994 0.63587631 1
C C1 1 0.98826563 0.59022500 0.49547150 1
C C2 1 0.64404162 0.77958905 0.13181897 1
C C3 1 0.82870728 0.40902819 0.81646919 1
C C4 1 0.08449236 0.23579303 0.22607020 1
C C5 1 0.74717052 0.23565878 0.58063798 1
C C6 1 0.48814637 0.58995415 0.95723103 1
C C7 1 0.23115426 0.94463414 0.22696325 1
C C8 1 0.33313083 0.40069848 0.32069128 1
C C9 1 0.89293127 -0.05517487 0.87105869 1
| -154.287535 |
10,033 | C-193950-5354-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.22274000
_cell_length_b 5.01224000
_cell_length_c 3.24870000
_cell_angle_alpha 112.45399000
_cell_angle_beta 68.64814000
_cell_angle_gamma 112.31280000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.36896075
_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 0.47132639 0.72194417 0.15168705 1
C C1 1 0.85393140 0.72188250 0.76917388 1
C C2 1 0.90843633 0.22140062 0.20611788 1
C C3 1 0.11946786 0.02668391 0.79940253 1
C C4 1 0.50303023 0.02676893 0.41722464 1
C C5 1 1.06626550 0.52733357 0.36310501 1
| -154.13902 |
5,534 | C-194760-3177-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84067000
_cell_length_b 4.23554000
_cell_length_c 10.66332000
_cell_angle_alpha 81.11486000
_cell_angle_beta 102.69378000
_cell_angle_gamma 144.49705000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 123.74883525
_cell_formula_units_Z 18
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 0.41685550 0.47538507 0.90595931 1
C C1 1 0.70153848 0.47695097 0.43639035 1
C C2 1 0.81494861 0.54921706 0.57840824 1
C C3 1 0.20461925 0.82062534 0.79642436 1
C C4 1 0.41437593 0.80503809 0.90606081 1
C C5 1 0.62583069 0.45872171 1.01595177 1
C C6 1 1.11132094 0.28995613 0.36254122 1
C C7 1 0.15549128 -0.03021354 0.36141563 1
C C8 1 0.62855068 0.12861686 1.01578916 1
C C9 1 0.99741755 0.17405465 0.68634082 1
C C10 1 0.20107197 0.15001870 0.79644758 1
C C11 1 0.82527109 0.10168716 0.12695259 1
C C12 1 0.79633024 0.85413034 0.57941139 1
C C13 1 -0.00065287 0.50382071 0.68637763 1
C C14 1 0.83522023 0.77676990 0.12649403 1
C C15 1 0.02530578 0.73996353 0.23688060 1
C C16 1 0.65483395 0.80351359 0.43753795 1
C C17 1 1.00366889 0.39626934 0.23803706 1
| -154.101334 |
10,013 | C-53842-5928-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20996000
_cell_length_b 3.89814000
_cell_length_c 3.14123000
_cell_angle_alpha 107.50587000
_cell_angle_beta 76.34483000
_cell_angle_gamma 69.54914000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.57472080
_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 0.54100445 0.68778611 0.35108934 1
C C1 1 0.20764748 0.35470193 0.01758368 1
C C2 1 0.54084413 0.01941355 0.68763277 1
C C3 1 0.20760522 0.68572065 0.35446157 1
C C4 1 0.87429894 1.02145146 0.68406874 1
C C5 1 0.87424448 0.35253351 0.02112629 1
| -154.448572 |
585 | C-176687-5509-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.03527000
_cell_length_b 3.61348000
_cell_length_c 4.83071000
_cell_angle_alpha 111.88062000
_cell_angle_beta 113.31099000
_cell_angle_gamma 84.49325000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 45.06998467
_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 0.86954907 0.17338819 0.19695552 1
C C1 1 0.87905036 0.23330846 0.69970882 1
C C2 1 0.87169080 0.96000597 0.38941892 1
C C3 1 -0.12838694 0.57888109 0.38922853 1
C C4 1 0.87856044 0.61404969 0.69942123 1
C C5 1 -0.11906872 1.01946870 0.89184958 1
| -154.145693 |
2,580 | C-96696-5300-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42480000
_cell_length_b 4.85336000
_cell_length_c 4.21608000
_cell_angle_alpha 89.69982000
_cell_angle_beta 90.15898000
_cell_angle_gamma 119.74854000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.07713557
_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 0.36255785 0.07683529 0.41211126 1
C C1 1 0.71507725 0.92821533 0.56133924 1
C C2 1 0.77406502 -0.01140055 0.90856583 1
C C3 1 0.30269601 0.01686523 0.06438235 1
C C4 1 0.36678780 0.58018145 0.50264800 1
C C5 1 0.71138867 0.42464695 0.47401852 1
| -154.306925 |
5,899 | C-13681-3389-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48497000
_cell_length_b 4.67963000
_cell_length_c 4.08715000
_cell_angle_alpha 96.66289000
_cell_angle_beta 90.00066000
_cell_angle_gamma 74.59373000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.48749596
_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 0.50472538 0.54668601 0.45833205 1
C C1 1 0.11958977 0.31673175 -0.07426769 1
C C2 1 0.83179885 0.89061735 0.16461602 1
C C3 1 0.28910092 0.97612833 0.99383767 1
C C4 1 0.34857508 0.86012866 0.63813502 1
C C5 1 0.77630610 0.00500055 0.52011562 1
C C6 1 0.61878350 0.31870897 0.69993504 1
C C7 1 0.00324811 0.54923938 0.23163297 1
| -154.368703 |
9,976 | C-141026-3786-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43938000
_cell_length_b 4.13817000
_cell_length_c 9.84563000
_cell_angle_alpha 106.78471000
_cell_angle_beta 90.00096000
_cell_angle_gamma 89.99865000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 95.15315131
_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 1.05244702 0.33689398 -0.04196604 1
C C1 1 0.05231679 0.15521749 0.42697409 1
C C2 1 1.05235839 0.35527178 0.11242647 1
C C3 1 0.55240246 0.38007723 0.89582885 1
C C4 1 0.55239914 0.91462954 0.59075265 1
C C5 1 0.55235829 0.58584442 0.34523427 1
C C6 1 0.05230528 0.01946249 1.13365948 1
C C7 1 0.55237658 0.55106180 0.18109732 1
C C8 1 0.55230871 -0.12664054 0.14665813 1
C C9 1 0.05235670 0.42746842 0.37988813 1
C C10 1 0.55232908 0.53137573 0.78342094 1
C C11 1 1.05231720 0.63990217 0.74023411 1
C C12 1 0.05238666 0.82854127 0.64108391 1
C C13 1 0.55233190 0.98104464 0.44915078 1
| -154.259626 |
961 | C-28238-1215-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49061000
_cell_length_b 3.59157000
_cell_length_c 4.35489000
_cell_angle_alpha 84.31217000
_cell_angle_beta 106.59917000
_cell_angle_gamma 110.29397000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.01459948
_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 0.40965795 0.42065057 0.64511067 1
C C1 1 0.22057062 0.42035129 0.26905367 1
C C2 1 0.69855168 0.79177623 0.85114767 1
C C3 1 0.59157710 0.16093846 0.26937209 1
C C4 1 0.30347953 0.79139944 0.06315781 1
C C5 1 0.78040852 0.16136421 0.64521559 1
| -154.197119 |
3,284 | C-34660-1476-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48375000
_cell_length_b 4.32480000
_cell_length_c 5.01312000
_cell_angle_alpha 109.51454000
_cell_angle_beta 94.42045000
_cell_angle_gamma 113.25504000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.25461783
_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 0.78752863 0.79028604 0.65606596 1
C C1 1 0.39794185 0.08437840 0.46556618 1
C C2 1 0.19267894 0.69509874 0.46577026 1
C C3 1 0.19420217 0.51160114 0.94003042 1
C C4 1 0.99354403 0.17980342 0.65596766 1
C C5 1 0.99240674 0.36332612 0.18194583 1
C C6 1 0.87218184 0.74254797 0.93993548 1
C C7 1 0.31346031 0.13224837 0.18191051 1
| -154.069498 |
9,475 | C-149247-8666-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43187000
_cell_length_b 6.88422000
_cell_length_c 8.04272000
_cell_angle_alpha 114.08576000
_cell_angle_beta 81.64117000
_cell_angle_gamma 90.72715000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 121.45639139
_cell_formula_units_Z 18
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 0.32293611 0.59535707 0.59605919 1
C C1 1 0.74315193 0.22601353 0.75016702 1
C C2 1 -0.05729387 0.13490317 0.36470545 1
C C3 1 0.83452788 0.26960403 0.56914260 1
C C4 1 0.12628927 0.46600743 0.02098631 1
C C5 1 0.58611581 0.45493991 0.10518660 1
C C6 1 0.21575597 0.36687064 0.81876456 1
C C7 1 0.84542008 0.66357689 0.55295033 1
C C8 1 0.56510847 0.90537749 0.09161329 1
C C9 1 0.30413382 0.40891517 0.63688169 1
C C10 1 0.71011957 0.05088512 0.81156565 1
C C11 1 0.46789070 0.99142876 0.30112072 1
C C12 1 -0.00185708 0.28887541 0.27560804 1
C C13 1 0.42072137 0.84631343 0.39656181 1
C C14 1 0.52325180 0.35451874 0.22984941 1
C C15 1 0.89324031 0.79232291 0.45161625 1
C C16 1 0.10889521 0.91075391 1.00529826 1
C C17 1 1.18321885 0.98960417 0.86295832 1
| -154.121627 |
8,924 | C-92128-7037-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44142000
_cell_length_b 6.69333000
_cell_length_c 5.41657000
_cell_angle_alpha 48.99839000
_cell_angle_beta 89.96877000
_cell_angle_gamma 68.58705000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.48124046
_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 0.18717052 0.90676870 0.52408032 1
C C1 1 0.58836105 0.00432665 0.82177588 1
C C2 1 0.19009902 0.90328749 0.25936918 1
C C3 1 0.94479873 0.64770987 0.16570422 1
C C4 1 0.46879765 0.62311187 0.35414186 1
C C5 1 1.15079356 0.44074414 0.11135836 1
C C6 1 0.55663270 0.53526175 0.88018446 1
C C7 1 0.51903736 1.07465187 0.49099907 1
C C8 1 -0.01728028 0.10902544 0.88955563 1
C C9 1 0.68006110 0.41272962 0.72245242 1
| -154.082914 |
4,701 | C-53810-7621-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48217000
_cell_length_b 3.84963000
_cell_length_c 5.91005000
_cell_angle_alpha 130.60531000
_cell_angle_beta 114.85216000
_cell_angle_gamma 89.99614000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.70799032
_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 0.06577646 0.87471987 0.87224791 1
C C1 1 0.33254275 0.43661029 0.13903687 1
C C2 1 1.06530395 0.46483238 0.87176419 1
C C3 1 0.06174446 0.66621763 0.36822172 1
C C4 1 0.32851075 0.22810805 0.63501067 1
C C5 1 0.32898326 0.63799554 0.63549439 1
| -154.156045 |
9,482 | C-142775-4731-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41684000
_cell_length_b 4.93081000
_cell_length_c 4.84310000
_cell_angle_alpha 40.95552000
_cell_angle_beta 70.76631000
_cell_angle_gamma 71.18387000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 50.13855370
_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 0.78440574 0.13323624 0.49484049 1
C C1 1 -0.04278640 0.30577819 0.82228111 1
C C2 1 0.45715660 0.80565456 0.82233280 1
C C3 1 0.42966237 0.48739327 0.28650295 1
C C4 1 0.92973695 0.98751537 0.28641867 1
C C5 1 0.28447478 0.63333459 0.49468754 1
C C6 1 0.60250153 0.66005910 0.61383532 1
C C7 1 0.10241662 0.15990599 0.61402782 1
| -154.127226 |
4,399 | C-53846-6643-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49087000
_cell_length_b 4.35136000
_cell_length_c 3.59274000
_cell_angle_alpha 84.31450000
_cell_angle_beta 69.71870000
_cell_angle_gamma 73.39032000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00221459
_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 0.11259200 0.79581419 -0.07466496 1
C C1 1 1.02989528 0.59029854 0.29643690 1
C C2 1 0.55259845 0.17236983 0.66696902 1
C C3 1 0.74097995 0.79647412 0.66633821 1
C C4 1 0.63509423 0.37794304 0.29696344 1
C C5 1 0.92362889 0.17214738 0.92589550 1
| -154.194565 |
6,264 | C-96676-423-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43129000
_cell_length_b 2.42657000
_cell_length_c 8.86171000
_cell_angle_alpha 74.09147000
_cell_angle_beta 90.15468000
_cell_angle_gamma 119.96083000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.99143891
_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 0.30005671 0.09797342 0.42945642 1
C C1 1 0.53605107 0.55004237 0.09590096 1
C C2 1 0.86917547 0.21716923 0.09533993 1
C C3 1 0.96736248 0.43149546 0.42946038 1
C C4 1 0.11532650 0.64133864 0.76235336 1
C C5 1 0.44805597 1.30774268 0.76236055 1
| -154.463753 |
2,670 | C-92156-5607-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42700000
_cell_length_b 4.22933000
_cell_length_c 4.23006000
_cell_angle_alpha 86.79085000
_cell_angle_beta 89.98191000
_cell_angle_gamma 90.00669000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.35171392
_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 0.13450906 0.85539773 0.19057744 1
C C1 1 0.13467052 0.79483604 0.54042881 1
C C2 1 0.63461158 0.71245517 1.04759475 1
C C3 1 1.13467304 0.20523399 0.13045166 1
C C4 1 0.63460590 0.36215455 0.10798350 1
C C5 1 0.63452680 0.77270652 0.69728753 1
| -154.3094 |
8,408 | C-28226-7086-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46091000
_cell_length_b 2.48370000
_cell_length_c 10.37045000
_cell_angle_alpha 103.79699000
_cell_angle_beta 96.91964000
_cell_angle_gamma 90.01436000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 61.08099319
_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 0.38317857 1.01726616 0.56598364 1
C C1 1 0.55011756 0.86763292 -0.08008560 1
C C2 1 0.13951292 0.53780109 0.09217001 1
C C3 1 0.48055500 0.72594867 0.78126832 1
C C4 1 0.73173995 0.21428515 0.27133619 1
C C5 1 0.45144206 0.15689164 0.71130971 1
C C6 1 0.18571399 0.12321925 0.17856713 1
C C7 1 0.84945219 0.94690422 0.49732310 1
C C8 1 0.77582044 -0.20488878 0.35215547 1
C C9 1 0.59338392 0.44766248 0.00015542 1
| -154.137355 |
3,648 | C-13653-5752-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47362000
_cell_length_b 4.30448000
_cell_length_c 4.96346000
_cell_angle_alpha 90.01351000
_cell_angle_beta 119.90861000
_cell_angle_gamma 89.99736000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.81081632
_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 0.71196118 0.57057253 0.51438370 1
C C1 1 0.71245242 0.71015848 1.01440015 1
C C2 1 0.71219463 0.21006305 0.51450493 1
C C3 1 0.07224785 0.71007434 0.37528939 1
C C4 1 1.07267396 1.07065075 0.37535151 1
C C5 1 -0.28791015 0.07066402 0.01447813 1
C C6 1 1.07239273 0.21016596 0.87539066 1
C C7 1 1.07294527 0.57073959 0.87524673 1
| -154.325936 |
4,367 | C-157717-1262-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47806000
_cell_length_b 6.56741000
_cell_length_c 4.12389000
_cell_angle_alpha 100.86934000
_cell_angle_beta 90.04551000
_cell_angle_gamma 112.16433000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 60.84834395
_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 0.26533112 0.54190980 0.56503876 1
C C1 1 0.04231441 0.31946781 0.33564181 1
C C2 1 0.27867374 0.05491428 0.03637810 1
C C3 1 0.78338774 0.05950729 0.25797177 1
C C4 1 0.11617670 0.89355609 0.70830053 1
C C5 1 0.62278790 0.90080442 0.49065743 1
C C6 1 0.38663993 0.66609688 0.28030980 1
C C7 1 0.80389623 0.58349715 0.08297697 1
C C8 1 0.85712656 0.63369848 0.74856818 1
C C9 1 0.55090198 0.32903429 0.12640326 1
| -154.135963 |
7,484 | C-9614-2905-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93627000
_cell_length_b 5.76436000
_cell_length_c 7.69444000
_cell_angle_alpha 44.35707000
_cell_angle_beta 77.68168000
_cell_angle_gamma 85.78455000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 118.44785937
_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 1.08439309 0.49030381 0.48208580 1
C C1 1 0.83030480 0.51538922 0.23138559 1
C C2 1 1.14859320 0.65090968 0.54673997 1
C C3 1 -0.01020190 0.20504510 0.38792948 1
C C4 1 0.64861017 -0.34909680 1.04673635 1
C C5 1 0.48774531 -0.03925604 0.89064009 1
C C6 1 0.33016415 0.51531901 0.73146098 1
C C7 1 0.14983374 0.20042579 0.54636296 1
C C8 1 0.39358035 0.67548163 0.79665495 1
C C9 1 0.82945849 0.96602996 0.23150040 1
C C10 1 0.32965395 0.96612359 0.73138935 1
C C11 1 0.89373440 0.67556582 0.29656682 1
C C12 1 -0.01235345 0.96068809 0.39069653 1
C C13 1 0.48956734 0.20495967 0.88804181 1
C C14 1 0.58408636 0.49013756 0.98227188 1
C C15 1 0.64932511 0.20017621 0.04663626 1
| -154.204408 |
2,616 | C-157689-1881-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99193000
_cell_length_b 2.82917000
_cell_length_c 4.83225000
_cell_angle_alpha 92.26652000
_cell_angle_beta 111.71890000
_cell_angle_gamma 61.45583000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.90314400
_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 0.29235022 0.29571551 0.28883930 1
C C1 1 0.50651976 0.08406003 1.09820930 1
C C2 1 0.23066979 0.35533089 0.78795050 1
C C3 1 -0.11260188 0.70365550 0.09771691 1
C C4 1 0.44457225 1.14407014 0.59719015 1
C C5 1 0.84973615 0.73602544 0.78799114 1
| -154.125336 |
2,368 | C-172961-4783-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48181000
_cell_length_b 3.73816000
_cell_length_c 4.57962000
_cell_angle_alpha 89.97455000
_cell_angle_beta 57.16697000
_cell_angle_gamma 89.99802000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.69985766
_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 0.94490569 0.93415281 0.34311280 1
C C1 1 0.73886227 0.43059330 1.04841906 1
C C2 1 0.14849712 0.43008705 0.63909114 1
C C3 1 0.44472720 0.16370977 0.34330476 1
C C4 1 0.23878153 0.66795924 0.04834334 1
C C5 1 0.64877720 0.66755483 0.63877991 1
| -154.153394 |
1,975 | C-184040-7075-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32223000
_cell_length_b 4.88777000
_cell_length_c 4.89332000
_cell_angle_alpha 94.12380000
_cell_angle_beta 126.37808000
_cell_angle_gamma 86.44914000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 63.79020718
_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 0.30488871 0.77396125 0.72390050 1
C C1 1 1.14829952 0.63237700 0.12474276 1
C C2 1 -0.01170262 0.73842831 0.35638924 1
C C3 1 0.14524832 -0.11756968 -0.04425356 1
C C4 1 0.63099497 0.50573923 0.22126332 1
C C5 1 0.66167513 1.00823008 0.85961435 1
C C6 1 0.61128204 0.51310310 0.89277745 1
C C7 1 0.68211700 0.00060755 0.18789355 1
C C8 1 -0.09982438 0.25352336 0.40173311 1
C C9 1 0.39235953 0.26051101 0.67967278 1
| -154.084532 |
3,673 | C-170871-2485-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42711000
_cell_length_b 4.81581000
_cell_length_c 7.76494000
_cell_angle_alpha 54.73946000
_cell_angle_beta 61.95643000
_cell_angle_gamma 59.64436000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 61.86545872
_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 -0.02361403 0.87660593 0.31046141 1
C C1 1 -0.06740557 0.32366290 0.37530631 1
C C2 1 1.14879689 0.69084706 0.65238044 1
C C3 1 1.07425242 0.13218298 0.07496021 1
C C4 1 0.24988358 -0.05599366 0.41649778 1
C C5 1 0.29584839 0.49724005 0.35054395 1
C C6 1 0.62622896 0.55732042 0.75671609 1
C C7 1 0.59731097 0.26565143 -0.02935239 1
| -154.282088 |
9,364 | C-184068-6075-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.61157000
_cell_length_b 3.64861000
_cell_length_c 5.54291000
_cell_angle_alpha 70.99055000
_cell_angle_beta 60.62296000
_cell_angle_gamma 90.39160000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.61545733
_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 0.85223792 0.70165132 0.70543612 1
C C1 1 0.35168062 0.64462134 0.20428302 1
C C2 1 0.35168645 0.25987156 0.20427629 1
C C3 1 0.66226707 0.91420364 -0.10379005 1
C C4 1 0.16149166 -0.14261719 0.39486259 1
C C5 1 -0.33787892 0.29904074 0.89619873 1
| -154.099282 |
2,440 | C-47627-477-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.29825000
_cell_length_b 5.74459000
_cell_length_c 5.82417000
_cell_angle_alpha 88.87070000
_cell_angle_beta 59.12335000
_cell_angle_gamma 93.44618000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 94.37546411
_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 0.34731528 0.24223900 0.56194918 1
C C1 1 0.04216998 0.36771543 0.15896012 1
C C2 1 1.28812944 0.15325696 0.18231782 1
C C3 1 0.63739901 0.46262364 0.38631077 1
C C4 1 0.18791514 1.02755004 -0.01811062 1
C C5 1 1.10238929 0.05696081 0.46195596 1
C C6 1 0.60016797 0.13385612 0.69145072 1
C C7 1 0.53046670 0.66824416 0.23081734 1
C C8 1 0.87638032 0.29564019 0.77457767 1
C C9 1 0.68530277 0.62549679 0.57403877 1
C C10 1 0.82194806 0.20833149 0.02862077 1
C C11 1 0.06340212 0.77252327 1.00351920 1
C C12 1 0.14760879 0.80208500 0.47355942 1
C C13 1 0.36065778 0.58951618 1.04252108 1
C C14 1 0.18939110 0.70968832 0.71626803 1
C C15 1 0.77832706 0.53695270 0.78248386 1
| -154.088014 |
2,525 | C-113039-2678-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35220000
_cell_length_b 3.40609000
_cell_length_c 4.58093000
_cell_angle_alpha 90.74106000
_cell_angle_beta 111.44706000
_cell_angle_gamma 87.90888000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.65036471
_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 0.62110237 0.39673249 0.78554981 1
C C1 1 0.36232461 0.74259082 0.60439444 1
C C2 1 0.26295451 0.09639016 0.10546824 1
C C3 1 -0.07712275 0.57606372 0.39044127 1
C C4 1 0.28412917 1.08727258 0.78535240 1
C C5 1 0.84997663 0.24287313 0.58027448 1
C C6 1 0.96429769 0.38445472 0.10554215 1
C C7 1 0.58924807 0.90894039 0.39088291 1
| -154.202706 |
7,318 | C-73629-2757-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41315000
_cell_length_b 5.36460000
_cell_length_c 4.18914000
_cell_angle_alpha 69.15991000
_cell_angle_beta 74.05019000
_cell_angle_gamma 74.33588000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.64806818
_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 0.10444059 0.50715803 0.76848876 1
C C1 1 0.46488566 0.34547599 0.21934501 1
C C2 1 0.22948658 0.12369712 0.22361068 1
C C3 1 0.89853657 0.27594258 -0.00514854 1
C C4 1 0.84073742 0.75545631 0.58162000 1
C C5 1 0.77810164 1.15544750 -0.22980482 1
C C6 1 0.78671404 0.69036687 0.27600238 1
C C7 1 1.20000664 0.59318901 0.03288823 1
C C8 1 0.40668361 0.82488484 0.80642978 1
C C9 1 0.52686610 -0.05482481 1.03119305 1
C C10 1 0.07624080 0.97738645 0.57738443 1
C C11 1 0.51882674 0.40972962 0.52551895 1
| -154.223848 |
3,201 | C-172935-9081-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27225000
_cell_length_b 4.23532000
_cell_length_c 3.27529000
_cell_angle_alpha 95.22380000
_cell_angle_beta 80.83619000
_cell_angle_gamma 56.06239000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.27042671
_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 0.66967092 0.43034447 0.77400652 1
C C1 1 0.55588048 0.81182500 0.71877175 1
C C2 1 0.46672292 0.04876633 0.14536437 1
C C3 1 1.10562712 0.04878560 0.50633295 1
C C4 1 0.35293808 0.43025643 1.09054237 1
C C5 1 -0.08305513 0.81177178 0.35698305 1
| -154.204813 |
8,697 | C-141031-4766-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47519000
_cell_length_b 4.24837000
_cell_length_c 4.24858000
_cell_angle_alpha 51.93881000
_cell_angle_beta 89.99934000
_cell_angle_gamma 89.99563000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.17580533
_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 0.70435989 0.37805137 0.65375048 1
C C1 1 0.20453251 0.33176955 0.19929389 1
C C2 1 0.70472621 0.78618482 0.24560704 1
C C3 1 0.20472621 0.76670213 0.04238103 1
C C4 1 0.70453251 0.22111740 0.08869418 1
C C5 1 0.20435989 0.17483558 0.63423758 1
| -154.290793 |
9,954 | C-92150-2826-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48480000
_cell_length_b 5.48739000
_cell_length_c 4.59649000
_cell_angle_alpha 110.46437000
_cell_angle_beta 105.68615000
_cell_angle_gamma 90.01262000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.21853935
_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 0.60474515 0.35715203 0.33960454 1
C C1 1 1.02235260 0.20933072 0.17533752 1
C C2 1 -0.00689524 0.92433731 1.12586577 1
C C3 1 0.27961069 0.97107327 0.69298150 1
C C4 1 0.78876274 0.39352757 0.71067923 1
C C5 1 0.11152658 0.78113521 0.35700099 1
C C6 1 0.82832774 0.14456619 0.79173890 1
C C7 1 0.56134778 0.60679623 0.25835117 1
C C8 1 0.39211853 0.82689895 0.92354401 1
C C9 1 0.37047303 0.54143442 0.87477655 1
| -154.381912 |
3,189 | C-76008-2415-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48757000
_cell_length_b 3.87777000
_cell_length_c 7.12586000
_cell_angle_alpha 86.02738000
_cell_angle_beta 79.95091000
_cell_angle_gamma 90.00045000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.51536907
_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 0.16957790 0.26887013 0.22202974 1
C C1 1 0.94601535 0.71386160 0.67869411 1
C C2 1 -0.14277134 0.95069802 -0.14281188 1
C C3 1 0.66083254 0.74955170 0.23830014 1
C C4 1 1.02773529 0.99507597 0.51303411 1
C C5 1 0.44542245 0.47101091 0.67994948 1
C C6 1 0.62317218 0.39613437 0.31461067 1
C C7 1 0.77321698 0.66869173 0.02272673 1
C C8 1 0.27467583 0.42988514 0.01982328 1
C C9 1 0.52626831 0.23322198 0.51604874 1
C C10 1 0.35789577 0.19291069 0.85587397 1
C C11 1 0.13132174 0.91559455 0.29731334 1
| -154.327937 |
3,578 | C-176639-8613-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48786000
_cell_length_b 2.48820000
_cell_length_c 6.57766000
_cell_angle_alpha 100.91764000
_cell_angle_beta 100.90501000
_cell_angle_gamma 120.03734000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.62251734
_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 0.58099299 0.30598090 0.46309880 1
C C1 1 0.83113321 0.88943945 0.37998985 1
C C2 1 0.83146602 0.22289092 0.04678367 1
C C3 1 0.58131570 0.97284201 0.79663113 1
C C4 1 0.58132580 0.63943238 0.12989263 1
C C5 1 0.83114331 0.55602981 0.71325134 1
| -154.54301 |
9,366 | C-127257-4616-74 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22290000
_cell_length_b 4.96577000
_cell_length_c 5.93064000
_cell_angle_alpha 87.94308000
_cell_angle_beta 76.77012000
_cell_angle_gamma 89.05102000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 120.98207208
_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 0.83057423 0.40042030 0.05812524 1
C C1 1 0.53851002 0.90661595 0.90928815 1
C C2 1 0.39349299 0.64767304 0.26432661 1
C C3 1 0.62097851 0.40290630 0.29120379 1
C C4 1 1.03821579 0.64258743 -0.05136978 1
C C5 1 0.09026236 0.24024856 0.71953823 1
C C6 1 0.77660340 0.79952034 0.46829818 1
C C7 1 0.55182601 0.94096699 0.65337583 1
C C8 1 0.64719520 0.87822927 0.26063097 1
C C9 1 1.09368269 0.65004646 0.45776361 1
C C10 1 0.77894057 0.48936433 0.47158696 1
C C11 1 0.08048098 0.54703250 0.70314097 1
C C12 1 0.32342493 0.08261732 0.56415004 1
C C13 1 0.44542079 0.13337295 0.30485705 1
C C14 1 0.77842682 0.37898353 0.69853814 1
C C15 1 0.84211218 0.89625022 0.01245696 1
C C16 1 0.55755555 0.39372723 0.93082293 1
C C17 1 0.35588178 0.14620170 0.04022567 1
C C18 1 0.36249531 0.64692378 0.01073651 1
C C19 1 0.03271770 0.15773840 0.97475984 1
| -154.088724 |
9,515 | C-56468-3855-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46330000
_cell_length_b 4.24915000
_cell_length_c 4.91160000
_cell_angle_alpha 81.01686000
_cell_angle_beta 59.91872000
_cell_angle_gamma 89.98009000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.75671583
_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 0.68200395 0.03684947 0.21373108 1
C C1 1 0.44931600 -0.08541147 0.56543265 1
C C2 1 0.07662543 0.54883023 0.19905945 1
C C3 1 0.91817706 0.38702036 0.72732870 1
C C4 1 0.58159283 0.55089446 0.56343755 1
C C5 1 0.31772754 0.90051548 0.07709336 1
C C6 1 0.68512789 0.38914290 0.09138616 1
C C7 1 0.78949450 0.02263147 0.72514736 1
| -154.238308 |
754 | C-96717-1637-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47367000
_cell_length_b 3.26056000
_cell_length_c 8.31968000
_cell_angle_alpha 87.65484000
_cell_angle_beta 98.55956000
_cell_angle_gamma 112.35087000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 61.36124089
_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 0.58993151 0.37140292 0.89453667 1
C C1 1 0.89975059 0.36041270 0.52665077 1
C C2 1 0.44715587 0.35745416 0.62320678 1
C C3 1 0.70090142 0.72593000 0.76099684 1
C C4 1 0.33990442 0.00403061 0.76068677 1
C C5 1 1.03461312 0.02369398 1.13206135 1
C C6 1 0.39475360 0.74529608 0.13221549 1
C C7 1 0.83501097 0.39007128 0.36547511 1
C C8 1 1.14347853 0.37725825 -0.00236450 1
C C9 1 0.28811648 0.39260021 0.26888402 1
| -154.283616 |
10,108 | C-34660-1476-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30169000
_cell_length_b 3.30467000
_cell_length_c 5.21996000
_cell_angle_alpha 84.85696000
_cell_angle_beta 64.49890000
_cell_angle_gamma 100.23708000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 49.69484999
_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 0.77664121 0.53409458 0.41752339 1
C C1 1 0.10334023 0.85985627 0.41792480 1
C C2 1 0.84334105 0.44453073 0.13229605 1
C C3 1 0.40589698 0.30301176 0.67311694 1
C C4 1 0.33818753 0.39834707 -0.04177582 1
C C5 1 0.07940667 -0.02351818 0.67299469 1
C C6 1 0.47976133 0.08142569 0.13279861 1
C C7 1 0.70158401 0.76168658 0.95827753 1
| -154.222504 |
2,107 | C-90831-4076-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48756000
_cell_length_b 3.51700000
_cell_length_c 4.97366000
_cell_angle_alpha 89.99544000
_cell_angle_beta 89.98261000
_cell_angle_gamma 89.99453000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.51329822
_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 0.62315364 0.04539868 0.02559198 1
C C1 1 0.62331446 0.29616027 0.77562306 1
C C2 1 0.62315189 0.29610460 0.27558153 1
C C3 1 1.12327021 0.54536920 0.77563951 1
C C4 1 0.12334646 -0.20394736 0.52561637 1
C C5 1 0.62335965 1.04529140 0.52560406 1
C C6 1 0.12311258 0.54532057 0.27558130 1
C C7 1 1.12313920 0.79620933 0.02561088 1
| -154.553949 |
1,275 | C-152575-7588-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46887000
_cell_length_b 5.22369000
_cell_length_c 3.37735000
_cell_angle_alpha 89.04258000
_cell_angle_beta 68.50692000
_cell_angle_gamma 90.01158000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.52094608
_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 -0.02273684 0.63963213 0.76474412 1
C C1 1 0.75786559 0.71707687 0.20848750 1
C C2 1 0.56480388 0.51449541 0.59002546 1
C C3 1 0.17014628 0.84216698 0.38400267 1
C C4 1 0.60507004 0.23998504 0.51496370 1
C C5 1 0.12919875 0.11583617 0.46523096 1
| -154.149891 |
6,552 | C-142742-7620-53 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47413000
_cell_length_b 4.80467000
_cell_length_c 4.28112000
_cell_angle_alpha 63.52667000
_cell_angle_beta 89.99408000
_cell_angle_gamma 75.07193000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.62846998
_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 0.13736668 0.72811872 0.84254024 1
C C1 1 0.82468709 0.35408785 0.52948073 1
C C2 1 0.57441731 0.85413400 0.61294416 1
C C3 1 0.07448809 0.85403636 1.11299247 1
C C4 1 0.32468097 0.35407272 1.02944246 1
C C5 1 0.38758843 0.22815402 0.42582270 1
C C6 1 0.63737473 0.72810020 0.34259706 1
C C7 1 0.88765579 0.22806012 0.92587238 1
| -154.52411 |
97 | C-41308-8899-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43003000
_cell_length_b 3.20335000
_cell_length_c 5.68141000
_cell_angle_alpha 92.04173000
_cell_angle_beta 77.07156000
_cell_angle_gamma 90.92003000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.07548686
_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 0.87942291 0.80623397 0.20061553 1
C C1 1 0.54650998 0.47610191 0.86645187 1
C C2 1 0.32373836 -0.08419603 0.31244614 1
C C3 1 0.65784855 0.25475631 0.64436036 1
C C4 1 0.21348659 0.14532159 0.53248880 1
C C5 1 0.99079232 0.58526414 -0.02151881 1
| -154.459603 |
4,018 | C-172961-4783-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45107000
_cell_length_b 5.43736000
_cell_length_c 5.44733000
_cell_angle_alpha 126.41243000
_cell_angle_beta 90.00495000
_cell_angle_gamma 90.01374000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.42470923
_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 0.20611445 0.28913225 0.13929536 1
C C1 1 0.20605271 0.36628593 0.73604582 1
C C2 1 0.20612970 0.50923255 0.06729267 1
C C3 1 0.70603349 0.80730036 0.82937446 1
C C4 1 0.70610109 -0.06137652 0.16593432 1
C C5 1 0.20605395 0.84362817 0.25958384 1
C C6 1 0.70613526 0.27581824 0.29662036 1
C C7 1 0.70612595 0.46387365 0.63979162 1
C C8 1 0.20604059 0.03416830 0.59354430 1
C C9 1 1.20605890 0.96372416 0.81486774 1
| -154.213819 |
4,206 | C-106871-7686-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48492000
_cell_length_b 4.08650000
_cell_length_c 5.84491000
_cell_angle_alpha 127.33514000
_cell_angle_beta 102.27940000
_cell_angle_gamma 89.97536000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.47627135
_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 0.38480396 0.79552969 0.94727166 1
C C1 1 0.84277430 0.53968771 0.86147799 1
C C2 1 0.05544339 0.43302922 0.29048675 1
C C3 1 0.55435978 0.20520223 0.28836694 1
C C4 1 0.67264035 0.13086206 0.52032616 1
C C5 1 0.17130152 0.90267152 0.51798342 1
C C6 1 0.89834942 0.29887909 0.97635470 1
C C7 1 0.32655878 0.03576686 0.83203067 1
| -154.36711 |
2,785 | C-53838-1497-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49355000
_cell_length_b 3.82638000
_cell_length_c 6.86221000
_cell_angle_alpha 109.24245000
_cell_angle_beta 79.54771000
_cell_angle_gamma 109.00998000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.24343162
_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 0.79042482 0.25501104 0.98395674 1
C C1 1 0.28667525 0.10412339 0.84602533 1
C C2 1 1.42406473 0.16155310 0.62733725 1
C C3 1 0.97417660 0.64926505 0.00797742 1
C C4 1 0.65164455 0.19694902 0.20249688 1
C C5 1 1.02147249 0.93919692 0.20852953 1
C C6 1 0.10199639 0.70974197 0.82188614 1
C C7 1 0.80348989 0.64470920 0.34822356 1
C C8 1 0.27266833 0.71371136 0.48158811 1
C C9 1 0.05449226 0.41916125 0.62134184 1
| -154.072232 |
2,551 | C-13941-680-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47782000
_cell_length_b 2.47763000
_cell_length_c 6.31097000
_cell_angle_alpha 101.32302000
_cell_angle_beta 101.30612000
_cell_angle_gamma 59.99260000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.67837682
_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 0.18851966 0.35800039 0.43904703 1
C C1 1 0.65925232 0.82813075 0.85328999 1
C C2 1 0.88268835 0.05208103 0.52208009 1
C C3 1 0.96506592 0.13361170 0.76957303 1
C C4 1 0.10451909 0.27493874 0.18820896 1
C C5 1 0.74289756 0.91334599 0.10437699 1
| -154.526804 |
8,609 | C-13919-5282-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45334000
_cell_length_b 5.83549000
_cell_length_c 4.55883000
_cell_angle_alpha 44.27679000
_cell_angle_beta 74.56058000
_cell_angle_gamma 77.97688000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.90451337
_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 0.40437704 0.39005737 0.09454427 1
C C1 1 0.30712999 0.09050189 0.58755134 1
C C2 1 0.87522530 0.58098486 0.96345224 1
C C3 1 0.56756435 0.26627265 0.88757145 1
C C4 1 0.13929227 0.21383901 0.79525228 1
C C5 1 0.83823886 0.89965971 0.71767832 1
| -154.197469 |
5,277 | C-176656-6648-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48117000
_cell_length_b 3.68901000
_cell_length_c 4.21571000
_cell_angle_alpha 104.76147000
_cell_angle_beta 89.97345000
_cell_angle_gamma 109.63058000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.99051955
_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 0.44453536 0.16644509 1.00986994 1
C C1 1 0.24328905 0.76783103 0.08469577 1
C C2 1 0.12317364 0.52576705 0.71185343 1
C C3 1 0.70197880 0.68303118 0.58105917 1
C C4 1 0.92494561 0.12815960 0.78726455 1
C C5 1 0.66533895 0.61167585 0.21608013 1
| -154.308521 |
103 | C-80188-9960-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31971000
_cell_length_b 3.91729000
_cell_length_c 3.78587000
_cell_angle_alpha 91.91851000
_cell_angle_beta 95.96846000
_cell_angle_gamma 105.82149000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.01212598
_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 0.56648396 0.49846546 0.38638072 1
C C1 1 0.36576892 0.65446024 0.68938783 1
C C2 1 0.18046494 0.16593543 0.39737141 1
C C3 1 0.66286914 0.60470669 1.02394806 1
C C4 1 0.94068133 0.38915323 0.56906356 1
C C5 1 0.74369498 0.24452387 0.87789622 1
C C6 1 -0.00689414 0.98666811 0.03276008 1
C C7 1 0.31409867 0.00618468 0.74428892 1
| -154.077306 |
7,683 | C-152593-8124-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44329000
_cell_length_b 4.83218000
_cell_length_c 6.64037000
_cell_angle_alpha 84.59316000
_cell_angle_beta 90.16909000
_cell_angle_gamma 120.42997000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 67.20705493
_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 0.55324030 0.76869493 0.72662871 1
C C1 1 0.56700167 0.28216504 0.64335910 1
C C2 1 0.71972309 0.43491427 0.42779715 1
C C3 1 0.73986838 0.96593070 0.08253761 1
C C4 1 0.39829925 0.12371011 1.06694417 1
C C5 1 0.75525516 0.47674274 0.01438859 1
C C6 1 0.28070325 0.49653127 0.33193040 1
C C7 1 -0.12876423 1.08594795 0.67388556 1
C C8 1 0.38860838 0.60975542 0.11034097 1
C C9 1 -0.13696885 0.57864108 0.77632573 1
| -154.236543 |
658 | C-130524-1316-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43268000
_cell_length_b 4.63112000
_cell_length_c 4.00626000
_cell_angle_alpha 84.16621000
_cell_angle_beta 89.83001000
_cell_angle_gamma 105.62094000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.22076935
_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 0.65736474 0.88913895 1.07968042 1
C C1 1 0.54400423 0.66356950 -0.13756479 1
C C2 1 0.87747772 0.33093669 0.52781174 1
C C3 1 0.32309901 0.22104484 0.41509909 1
C C4 1 0.21180692 -0.00070894 0.19222557 1
C C5 1 -0.01008713 0.55408745 0.74860507 1
| -154.462722 |
1,957 | C-172963-753-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31139000
_cell_length_b 4.79737000
_cell_length_c 5.04256000
_cell_angle_alpha 77.33462000
_cell_angle_beta 80.00615000
_cell_angle_gamma 70.65687000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 73.30046855
_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 0.73459453 0.37926867 0.16354460 1
C C1 1 0.10961839 0.13637739 0.78166404 1
C C2 1 0.49357009 0.98112827 0.40548822 1
C C3 1 0.24729676 0.38135583 0.64562220 1
C C4 1 0.73726483 0.88733668 0.16477567 1
C C5 1 0.87300407 0.13321887 0.02756841 1
C C6 1 0.49105298 0.28573115 0.40489564 1
C C7 1 0.12506417 0.63452070 0.77213788 1
C C8 1 0.85972526 0.63402340 1.03891473 1
C C9 1 0.24946272 0.88912364 0.64710020 1
| -154.206049 |
2,879 | C-47633-513-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47328000
_cell_length_b 4.18334000
_cell_length_c 4.79889000
_cell_angle_alpha 115.71110000
_cell_angle_beta 90.02122000
_cell_angle_gamma 90.65882000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 44.73240650
_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 0.24956172 0.62710664 0.98595192 1
C C1 1 0.24986447 -0.03881535 0.65290417 1
C C2 1 0.74784397 0.75330957 0.49771174 1
C C3 1 0.24815552 0.33063142 0.65312619 1
C C4 1 0.24785216 -0.00327454 0.98619901 1
C C5 1 0.75068946 0.20480509 0.14199899 1
C C6 1 0.74868348 0.38342234 0.49819890 1
C C7 1 0.74990473 0.57478252 0.14156717 1
| -154.403008 |
5,512 | C-28246-1719-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48270000
_cell_length_b 4.26636000
_cell_length_c 5.56876000
_cell_angle_alpha 105.16606000
_cell_angle_beta 90.00291000
_cell_angle_gamma 90.00637000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.93047287
_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 0.74020253 0.44159445 0.78617041 1
C C1 1 0.24020505 0.22505988 0.77792242 1
C C2 1 0.24045265 0.54181240 0.16266531 1
C C3 1 0.74041178 0.66167988 1.05234660 1
C C4 1 0.24040162 0.00509826 0.51120164 1
C C5 1 0.24057760 0.63920713 0.44587177 1
C C6 1 0.24016137 0.17366527 1.03683361 1
C C7 1 0.74053742 0.49334664 0.52737864 1
C C8 1 0.74015600 1.02775977 0.11828385 1
C C9 1 0.74035518 0.12498131 0.40095194 1
| -154.399317 |
3,113 | C-28250-3871-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43860000
_cell_length_b 5.62564000
_cell_length_c 6.40911000
_cell_angle_alpha 96.51334000
_cell_angle_beta 102.48717000
_cell_angle_gamma 89.58263000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 85.27710004
_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 0.19830160 0.85883374 0.42471804 1
C C1 1 0.79099549 0.44251159 1.01290808 1
C C2 1 0.53872524 0.45912018 0.34736575 1
C C3 1 0.15409427 0.37100788 0.67234484 1
C C4 1 1.00659158 0.09151294 0.31635921 1
C C5 1 0.70309528 0.71734673 0.08113426 1
C C6 1 0.70731906 0.38796136 0.77866089 1
C C7 1 -0.03303914 0.87270765 0.77511137 1
C C8 1 0.35988064 0.34780456 0.11372622 1
C C9 1 0.38508373 0.09068575 0.16645942 1
C C10 1 0.65652796 0.72226798 0.33165168 1
C C11 1 0.16935955 0.85208735 0.01229727 1
C C12 1 1.07226778 0.34769108 0.43792481 1
C C13 1 0.39723705 0.87648470 0.66608735 1
| -154.165824 |
2,812 | C-184058-8674-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38794000
_cell_length_b 6.59669000
_cell_length_c 5.99580000
_cell_angle_alpha 128.18294000
_cell_angle_beta 115.28082000
_cell_angle_gamma 73.91392000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 95.22637880
_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 0.38487223 0.02866497 0.29015658 1
C C1 1 0.48214581 0.36787478 0.09795825 1
C C2 1 0.10317124 0.61286818 0.53601015 1
C C3 1 0.85081918 0.80130816 0.48646209 1
C C4 1 0.22980618 0.55636750 0.04830788 1
C C5 1 0.81946725 0.49182557 0.80394434 1
C C6 1 0.54502654 0.96408778 1.03408592 1
C C7 1 -0.05225745 0.14094677 0.29478957 1
C C8 1 0.51345774 0.67733260 0.78045723 1
C C9 1 -0.21214356 0.20515522 0.55061112 1
C C10 1 1.00874190 0.04742847 0.66390593 1
C C11 1 0.32408670 0.12182544 0.92079171 1
C C12 1 0.45735994 0.78794048 0.27212119 1
C C13 1 0.87505869 0.38166897 0.31281353 1
| -154.105961 |
6,327 | C-130524-1316-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.55055000
_cell_length_b 2.43832000
_cell_length_c 6.96461000
_cell_angle_alpha 110.75043000
_cell_angle_beta 78.85200000
_cell_angle_gamma 89.89422000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.62243586
_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 0.84991404 0.99411746 0.21082538 1
C C1 1 0.40540830 -0.10711861 0.10674708 1
C C2 1 0.68265820 0.83248590 0.54790035 1
C C3 1 0.57400675 0.05551154 0.76950988 1
C C4 1 0.73381340 0.22255258 0.44004340 1
C C5 1 0.52196062 0.66556903 0.87754162 1
| -154.079125 |
9,951 | C-170924-4524-59 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43310000
_cell_length_b 4.85894000
_cell_length_c 6.25195000
_cell_angle_alpha 114.51262000
_cell_angle_beta 79.85554000
_cell_angle_gamma 120.20377000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.07084428
_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 1.30568859 0.31842560 0.54826727 1
C C1 1 1.30569851 0.81843888 0.54826659 1
C C2 1 0.36755104 0.61851035 0.04784254 1
C C3 1 0.70135787 0.95171084 1.04803976 1
C C4 1 0.97192817 0.98534664 0.54815879 1
C C5 1 0.36750043 0.11847708 0.04785330 1
C C6 1 -0.02806128 0.48533739 0.54815665 1
C C7 1 0.70125698 0.45159482 0.04803219 1
| -154.469066 |
1,906 | C-148260-6843-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50814000
_cell_length_b 3.41766000
_cell_length_c 6.78451000
_cell_angle_alpha 111.92775000
_cell_angle_beta 100.71469000
_cell_angle_gamma 68.44988000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 50.09790699
_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 0.41639791 0.17171397 0.02623456 1
C C1 1 0.81176026 0.27563764 0.92240640 1
C C2 1 -0.08387974 0.67164724 0.52622908 1
C C3 1 0.47519430 0.28371279 0.25844860 1
C C4 1 1.07972577 0.17964038 0.36248751 1
C C5 1 0.58003007 0.67976437 0.86250546 1
C C6 1 1.31148723 0.77550373 0.42238779 1
C C7 1 -0.02461010 0.78381327 0.75846101 1
| -154.120129 |
5,864 | C-177246-5869-54 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38786000
_cell_length_b 5.16636000
_cell_length_c 7.70928000
_cell_angle_alpha 135.28743000
_cell_angle_beta 76.51324000
_cell_angle_gamma 104.91426000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 91.48371988
_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 0.95048792 0.47944473 0.42757512 1
C C1 1 0.41858961 0.27151093 0.77077590 1
C C2 1 0.44009758 1.00330312 0.02808365 1
C C3 1 0.32864465 0.43182866 0.25007201 1
C C4 1 0.48208626 -0.06852138 0.68582830 1
C C5 1 0.56302974 0.86419852 0.13797821 1
C C6 1 1.02073233 0.38106659 0.95103983 1
C C7 1 0.14234132 0.64127362 0.80089024 1
C C8 1 0.79322131 0.55440456 0.91643417 1
C C9 1 -0.02499720 -0.05128058 0.40845841 1
C C10 1 -0.27626733 1.14940205 0.38655624 1
C C11 1 1.21807578 0.65251821 0.18398227 1
C C12 1 0.32591571 0.25930058 0.58796430 1
C C13 1 1.06656506 0.75669343 0.69064980 1
C C14 1 0.68151682 0.68816012 0.43446654 1
C C15 1 0.76035213 1.02626483 0.85816041 1
| -154.177798 |
4,020 | C-148275-4529-56 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48518000
_cell_length_b 4.78214000
_cell_length_c 6.81885000
_cell_angle_alpha 136.72373000
_cell_angle_beta 123.15814000
_cell_angle_gamma 58.67910000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.45086548
_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 0.60476099 0.19175867 0.85678297 1
C C1 1 0.54211797 0.28588622 0.54472170 1
C C2 1 0.12874644 0.52649512 0.42957408 1
C C3 1 0.75102553 0.88911035 0.08609104 1
C C4 1 0.87992074 0.41972794 0.85901277 1
C C5 1 0.02618527 0.11707962 0.08832084 1
C C6 1 0.50219983 0.78234317 0.51552973 1
C C7 1 1.08882829 0.02295207 0.40038211 1
| -154.366563 |
390 | C-47652-4449-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48767000
_cell_length_b 3.51518000
_cell_length_c 4.97325000
_cell_angle_alpha 90.00003000
_cell_angle_beta 90.01203000
_cell_angle_gamma 90.00159000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.48911992
_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 0.39306269 0.43438755 0.21897755 1
C C1 1 0.89321210 0.93440206 -0.03102044 1
C C2 1 -0.10666772 0.18522365 0.71898654 1
C C3 1 0.39318287 0.68520914 0.96898452 1
C C4 1 0.89321168 0.93440499 0.46898118 1
C C5 1 0.39318329 0.68520621 0.46898290 1
C C6 1 -0.10696515 0.18519142 0.21898160 1
C C7 1 0.39336012 0.43441978 0.71898248 1
| -154.546135 |
2,986 | C-57142-7457-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43474000
_cell_length_b 4.81826000
_cell_length_c 4.22536000
_cell_angle_alpha 89.38875000
_cell_angle_beta 73.31080000
_cell_angle_gamma 75.28079000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.81845527
_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 0.41120893 0.47639087 0.36625052 1
C C1 1 0.11625132 1.01669136 0.41947563 1
C C2 1 0.91829908 0.04534251 0.78391445 1
C C3 1 0.21337945 0.50499565 0.73113867 1
C C4 1 0.05645405 0.29230393 0.25910576 1
C C5 1 0.35838534 0.75767774 0.19301495 1
C C6 1 0.27297096 0.22895404 0.89174269 1
C C7 1 0.97154397 0.76439050 -0.04277288 1
| -154.231958 |
5,897 | C-141016-4064-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39347000
_cell_length_b 2.46041000
_cell_length_c 5.31628000
_cell_angle_alpha 89.98143000
_cell_angle_beta 83.96688000
_cell_angle_gamma 110.99952000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.17527367
_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 0.66727634 0.95054446 0.88987072 1
C C1 1 0.57906116 0.40212506 0.29253706 1
C C2 1 0.38306395 0.80432748 0.41996030 1
C C3 1 0.64355310 0.43916336 1.01683660 1
C C4 1 0.92490833 0.57369705 0.48747767 1
C C5 1 0.72965501 0.97706120 0.61391635 1
| -154.154767 |
8,078 | C-189740-9333-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48033000
_cell_length_b 4.80562000
_cell_length_c 5.95041000
_cell_angle_alpha 107.25828000
_cell_angle_beta 90.00859000
_cell_angle_gamma 121.06874000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.98903134
_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 0.97518860 0.58403621 0.81849969 1
C C1 1 0.37584023 -0.01815489 0.57904826 1
C C2 1 0.64087289 0.24965556 0.81821843 1
C C3 1 0.30993776 0.41732030 0.44612443 1
C C4 1 1.00561732 0.61235612 0.57900727 1
C C5 1 0.93855035 1.04410469 0.44614919 1
C C6 1 0.68422654 0.78967178 0.19070788 1
C C7 1 0.30919586 0.41639531 0.19070643 1
C C8 1 0.24557416 -0.14813309 0.05775248 1
C C9 1 0.61460919 0.22135021 0.05777544 1
| -154.344002 |
3,416 | C-126155-7469-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39617000
_cell_length_b 4.78254000
_cell_length_c 4.88920000
_cell_angle_alpha 70.50109000
_cell_angle_beta 77.32280000
_cell_angle_gamma 53.13449000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 59.87001646
_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 1.03091336 0.13709996 0.11509393 1
C C1 1 0.49742980 0.27551915 0.73331560 1
C C2 1 -0.29369002 0.86117633 0.44867414 1
C C3 1 0.83571560 0.74469070 0.98611488 1
C C4 1 0.54824825 0.25092751 0.25914488 1
C C5 1 0.32197786 0.54045675 0.43484777 1
C C6 1 0.21345863 0.37110601 1.01591280 1
C C7 1 0.49300925 -0.05681594 0.73639139 1
C C8 1 1.00517412 0.01849066 0.86920216 1
C C9 1 0.48245644 0.79454897 0.27185516 1
| -154.083233 |
785 | C-152565-20-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43961000
_cell_length_b 3.45641000
_cell_length_c 11.38593000
_cell_angle_alpha 109.08973000
_cell_angle_beta 82.27991000
_cell_angle_gamma 106.36302000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 86.96045942
_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 0.29814412 0.12996797 0.87346384 1
C C1 1 0.20434355 0.30614908 0.48828093 1
C C2 1 0.19473936 0.47784203 1.00017295 1
C C3 1 0.24708716 0.59491906 0.61749702 1
C C4 1 0.76130730 0.76956157 1.00062634 1
C C5 1 0.42682739 0.44120601 0.27894924 1
C C6 1 0.52306800 0.40182904 0.78468106 1
C C7 1 0.86904713 0.86198277 0.61500231 1
C C8 1 -0.04105784 0.20759383 0.08119385 1
C C9 1 1.03990523 0.31742189 0.70289555 1
C C10 1 0.93560318 0.36306369 0.21592422 1
C C11 1 0.70888368 0.85714063 0.87352540 1
C C12 1 0.40103386 0.60255947 0.41546443 1
C C13 1 -0.02960822 0.86735208 0.47433265 1
| -154.098174 |
3,527 | C-92156-5607-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51307000
_cell_length_b 4.40463000
_cell_length_c 5.54381000
_cell_angle_alpha 77.39391000
_cell_angle_beta 85.12325000
_cell_angle_gamma 84.12063000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 59.44670471
_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 0.29373540 0.23049911 0.47689740 1
C C1 1 0.15986390 0.44739114 0.94461640 1
C C2 1 0.35522479 0.56008052 0.50055790 1
C C3 1 0.64241132 0.47782147 0.10244315 1
C C4 1 0.23069369 0.67904825 0.70835224 1
C C5 1 0.48951729 0.73724145 0.24136493 1
C C6 1 0.22005574 0.99965676 0.71391690 1
C C7 1 0.96453787 -0.05976689 0.17992950 1
C C8 1 0.10621602 0.11781732 0.92150523 1
C C9 1 -0.19080872 0.19990686 0.31839246 1
| -154.071107 |
289 | C-148234-7928-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42542000
_cell_length_b 6.14663000
_cell_length_c 4.15839000
_cell_angle_alpha 70.52933000
_cell_angle_beta 90.12212000
_cell_angle_gamma 78.76872000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.17839110
_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 0.64152431 0.74499540 0.38608602 1
C C1 1 0.73629764 0.55660287 0.70354854 1
C C2 1 0.28542267 0.45883658 -0.15004663 1
C C3 1 -0.04623807 0.13444280 0.62954488 1
C C4 1 0.41212633 0.21040339 0.08682888 1
C C5 1 0.43912592 0.16585262 0.45976003 1
C C6 1 0.09455642 0.84197602 0.23849042 1
C C7 1 -0.02892283 0.09042792 1.00165207 1
| -154.214536 |
967 | C-193962-9528-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28116000
_cell_length_b 3.20040000
_cell_length_c 5.10238000
_cell_angle_alpha 113.48475000
_cell_angle_beta 113.89134000
_cell_angle_gamma 68.52028000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.57101123
_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 0.83831543 0.43567865 0.89703220 1
C C1 1 0.27735394 0.49128551 0.39613465 1
C C2 1 0.62681856 0.84153382 1.09151687 1
C C3 1 0.24409496 0.22403494 0.09136296 1
C C4 1 0.68362700 0.28048206 0.59039509 1
C C5 1 0.89630171 0.87538173 0.39634933 1
| -154.146899 |
7,119 | C-56475-1508-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44684000
_cell_length_b 4.68729000
_cell_length_c 6.50604000
_cell_angle_alpha 68.42784000
_cell_angle_beta 93.51907000
_cell_angle_gamma 84.91896000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.76242169
_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 0.55501989 0.25838850 0.50094709 1
C C1 1 0.39839099 0.23168355 0.85358307 1
C C2 1 0.95182424 0.16030848 0.20247092 1
C C3 1 1.00592159 0.31865456 0.35913669 1
C C4 1 0.32719534 0.92135428 0.82630420 1
C C5 1 -0.10853737 0.68914798 0.56721383 1
C C6 1 0.44821193 0.47008357 0.63337698 1
C C7 1 0.91817201 0.64182229 0.19014820 1
C C8 1 0.78858596 0.93079228 0.67943117 1
C C9 1 -0.08698063 0.83813772 0.31809994 1
C C10 1 0.38151727 0.64684833 0.04601548 1
C C11 1 0.40358676 0.30021296 1.05357825 1
| -154.103874 |
6,334 | C-53824-8786-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51679000
_cell_length_b 3.51593000
_cell_length_c 3.31901000
_cell_angle_alpha 90.04112000
_cell_angle_beta 89.98963000
_cell_angle_gamma 119.98343000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.54661230
_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 0.50888473 0.36764440 0.14365800 1
C C1 1 0.20429130 0.36762382 0.80937452 1
C C2 1 0.43600935 -0.16857460 0.64343049 1
C C3 1 0.74092652 0.13611206 0.97570058 1
C C4 1 0.74087141 0.83156399 0.30925061 1
C C5 1 0.20426960 0.06335363 0.47562500 1
| -154.410055 |
9,748 | C-142783-5832-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52720000
_cell_length_b 4.71315000
_cell_length_c 4.29642000
_cell_angle_alpha 68.33296000
_cell_angle_beta 85.03324000
_cell_angle_gamma 78.11186000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.53602905
_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 0.46408419 0.42436248 0.43486145 1
C C1 1 0.28331196 0.78238681 0.37815830 1
C C2 1 0.56334761 0.31449620 0.13988963 1
C C3 1 0.74632315 0.95576404 0.19610991 1
C C4 1 0.02939034 0.43466527 -0.07602780 1
C C5 1 1.08791205 0.75656469 0.73096489 1
C C6 1 0.99786368 0.30511837 0.65054229 1
C C7 1 0.94282462 -0.01725187 0.84325384 1
| -154.068958 |
6,377 | C-176644-8612-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25481000
_cell_length_b 4.73938000
_cell_length_c 6.44173000
_cell_angle_alpha 99.64281000
_cell_angle_beta 86.41234000
_cell_angle_gamma 91.78310000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 97.75126355
_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 0.41552618 0.59476246 0.09586044 1
C C1 1 0.32128545 0.64856744 0.32277617 1
C C2 1 0.29960593 0.93575119 0.43179661 1
C C3 1 0.08781798 0.48680633 0.64642861 1
C C4 1 0.34933991 0.74210940 0.75340702 1
C C5 1 0.35388935 -0.00986487 0.64311369 1
C C6 1 0.68230345 0.51612162 0.76195105 1
C C7 1 1.18508880 0.43347718 0.41995688 1
C C8 1 1.20596864 0.14641701 0.30949069 1
C C9 1 0.14881129 0.09160759 1.09885714 1
C C10 1 0.82115189 0.56581540 -0.01892338 1
C C11 1 0.33092296 0.28411709 0.75560714 1
C C12 1 0.15346856 0.33950236 0.98882078 1
C C13 1 0.17200373 0.79745741 0.98692086 1
| -154.097896 |
8,405 | C-145311-9710-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43124000
_cell_length_b 4.20367000
_cell_length_c 6.05061000
_cell_angle_alpha 110.58940000
_cell_angle_beta 97.20679000
_cell_angle_gamma 89.82247000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.37473016
_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 0.79919910 0.44304371 0.64594592 1
C C1 1 0.79971984 0.11051348 0.64647253 1
C C2 1 0.39727369 0.57201496 0.14581917 1
C C3 1 0.89675238 0.40454414 0.14528725 1
C C4 1 0.39680392 0.90453643 0.14528314 1
C C5 1 0.29966205 0.61048905 0.64643727 1
C C6 1 0.29924691 0.94303508 0.64594383 1
C C7 1 0.89732832 1.07201604 0.14582540 1
| -154.451856 |
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