Unnamed: 0
int64 2
10.1k
| material_id
stringlengths 12
16
| cif
stringlengths 939
1.86k
| energy_per_atom
float64 -154.56
-154.07
|
|---|---|---|---|
6,501 | C-73663-9884-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94278000
_cell_length_b 6.42548000
_cell_length_c 5.71260000
_cell_angle_alpha 141.57949000
_cell_angle_beta 83.75749000
_cell_angle_gamma 105.11673000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 85.71473803
_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 -0.06711330 0.45564383 0.37333773 1
C C1 1 0.82588628 0.78667787 0.25804471 1
C C2 1 0.43288131 0.95566447 -0.12663744 1
C C3 1 1.10124065 0.95498637 0.53873540 1
C C4 1 0.49086757 0.78717752 -0.07418268 1
C C5 1 0.65900381 0.28684210 0.09169347 1
C C6 1 0.32586187 0.28665394 0.75803376 1
C C7 1 0.26739619 0.45511181 0.70569902 1
C C8 1 -0.00912496 0.28716876 0.42579198 1
C C9 1 0.76739700 -0.04487838 0.20570874 1
C C10 1 0.15901469 0.78680794 0.59165187 1
C C11 1 0.60122318 0.45502477 0.03878064 1
| -154.460298 |
4,508 | C-34629-5612-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42546000
_cell_length_b 5.91590000
_cell_length_c 6.03427000
_cell_angle_alpha 90.00252000
_cell_angle_beta 90.00489000
_cell_angle_gamma 89.98960000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 86.58440371
_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 0.68225830 0.61234827 0.17049569 1
C C1 1 1.18222491 0.31672933 -0.03965708 1
C C2 1 0.68217771 0.40833911 0.02546556 1
C C3 1 -0.31763668 0.81598183 0.02506182 1
C C4 1 0.18214315 0.40749778 0.45988329 1
C C5 1 0.68221397 0.31591715 0.52500352 1
C C6 1 0.18230390 0.11241091 0.81669068 1
C C7 1 0.18225983 0.61236856 0.31668133 1
C C8 1 0.68236289 -0.09178159 0.52557823 1
C C9 1 0.18230597 0.90756366 0.95994933 1
C C10 1 0.68230526 0.11231704 0.67051407 1
C C11 1 1.18239897 0.81661986 0.46044147 1
| -154.317328 |
7,201 | C-136229-8372-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43507000
_cell_length_b 3.10562000
_cell_length_c 6.40087000
_cell_angle_alpha 89.02737000
_cell_angle_beta 100.65864000
_cell_angle_gamma 114.00097000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.36615466
_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 0.40796812 0.40604479 0.21297863 1
C C1 1 0.62490945 0.39280599 0.65769393 1
C C2 1 0.73473064 1.39334820 0.87967845 1
C C3 1 0.07063971 0.39835229 0.54648093 1
C C4 1 -0.03521046 0.40514416 0.32464255 1
C C5 1 0.29355475 0.39693268 0.99068291 1
| -154.447267 |
8,125 | C-113032-4206-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34555000
_cell_length_b 3.76834000
_cell_length_c 4.14877000
_cell_angle_alpha 93.93007000
_cell_angle_beta 84.76055000
_cell_angle_gamma 61.44762000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.93548955
_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 0.22095471 0.26753936 0.77207108 1
C C1 1 0.54509119 0.27117245 0.77042330 1
C C2 1 0.16708674 1.02701055 0.52468189 1
C C3 1 0.84284455 1.02358051 0.52618455 1
C C4 1 0.60426238 0.49937412 0.00350200 1
C C5 1 -0.06914008 0.50035886 0.00295320 1
C C6 1 0.78290919 0.79763994 0.29129753 1
C C7 1 0.45616473 0.79662460 1.29180676 1
| -154.076293 |
849 | C-193936-350-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26669000
_cell_length_b 3.63064000
_cell_length_c 4.23632000
_cell_angle_alpha 131.51587000
_cell_angle_beta 84.77385000
_cell_angle_gamma 104.48595000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.23097295
_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 0.54059486 0.85998259 0.16464302 1
C C1 1 0.80875523 0.29572279 0.21868814 1
C C2 1 0.95827722 0.10599613 0.79274677 1
C C3 1 0.59657273 0.74575397 0.43161056 1
C C4 1 0.16955969 0.65595711 0.57988248 1
C C5 1 0.22466037 0.54211540 0.84711623 1
| -154.20027 |
3,344 | C-150711-178-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47902000
_cell_length_b 7.41063000
_cell_length_c 7.69003000
_cell_angle_alpha 103.15490000
_cell_angle_beta 99.27722000
_cell_angle_gamma 90.00628000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C22
_cell_volume 135.66807671
_cell_formula_units_Z 22
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.81104177 0.45409212 0.83271767 1
C C1 1 0.15808079 0.74037984 0.52140089 1
C C2 1 1.01464774 0.66074928 0.22718600 1
C C3 1 0.54192373 0.79070109 0.28324520 1
C C4 1 0.30932680 0.33984729 0.82849563 1
C C5 1 -0.11498294 0.09981642 0.97470577 1
C C6 1 0.80569050 0.92983578 0.82139190 1
C C7 1 0.39051124 0.74401200 -0.00857357 1
C C8 1 0.47189751 0.90745814 0.15044536 1
C C9 1 0.04864153 0.18595743 0.30185585 1
C C10 1 0.09210220 0.56009318 0.38243738 1
C C11 1 0.57516346 0.26866737 0.35426326 1
C C12 1 0.61963199 0.46592138 0.43871380 1
C C13 1 0.36418894 0.19297596 -0.06850119 1
C C14 1 0.72664980 0.54352455 0.66301769 1
C C15 1 0.23430458 0.66123318 0.67838456 1
C C16 1 0.64447862 0.84883789 0.49454322 1
C C17 1 0.72664817 1.02780636 0.65936986 1
C C18 1 0.30967573 0.81870732 0.83027294 1
C C19 1 0.89866024 0.62852526 1.00745518 1
C C20 1 -0.02830588 0.02370018 0.14984431 1
C C21 1 0.25233298 0.14444420 0.70943128 1
| -154.17616 |
9,299 | C-73637-6506-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48027000
_cell_length_b 2.48062000
_cell_length_c 8.29848000
_cell_angle_alpha 90.00350000
_cell_angle_beta 98.58717000
_cell_angle_gamma 59.97090000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.54185558
_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 0.16074815 0.12180361 0.98041997 1
C C1 1 0.65894181 0.87356294 0.72863293 1
C C2 1 0.86890328 0.76750726 0.04262388 1
C C3 1 0.53311681 0.93603212 0.53960964 1
C C4 1 0.70098734 0.35175081 0.29083758 1
C C5 1 -0.17512379 1.29017937 0.47721435 1
C C6 1 -0.00683649 0.70572282 0.22903325 1
C C7 1 0.03413749 0.18599947 0.79135610 1
| -154.530981 |
300 | C-177226-1356-60 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72446000
_cell_length_b 4.69727000
_cell_length_c 6.08911000
_cell_angle_alpha 114.03015000
_cell_angle_beta 88.15843000
_cell_angle_gamma 109.84197000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 90.81851507
_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 -0.12062571 0.48457159 0.37892416 1
C C1 1 0.23107959 0.51152014 0.02836990 1
C C2 1 0.09209562 0.04657091 0.16185032 1
C C3 1 0.58756945 0.21125209 0.67583973 1
C C4 1 1.07884800 0.35737764 0.17571010 1
C C5 1 0.90355300 -0.00127649 0.35414872 1
C C6 1 0.24426896 0.81758791 0.01689848 1
C C7 1 0.60087834 0.90043591 0.66200266 1
C C8 1 0.45381108 0.74869272 0.81130849 1
C C9 1 0.79948408 0.77262148 0.45835587 1
C C10 1 0.43840029 0.44147373 0.82185381 1
C C11 1 0.77850060 0.25990648 0.48419886 1
| -154.090233 |
4,005 | C-130546-1595-51 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47435000
_cell_length_b 4.23592000
_cell_length_c 6.91108000
_cell_angle_alpha 127.78310000
_cell_angle_beta 89.99998000
_cell_angle_gamma 89.99967000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.24880613
_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 0.98420608 0.07542031 0.48612195 1
C C1 1 0.98453718 0.11706566 0.85978549 1
C C2 1 0.48448465 0.85923879 0.77364327 1
C C3 1 0.48429873 0.72892045 0.11969200 1
C C4 1 -0.01551146 0.34236520 0.75343528 1
C C5 1 -0.01587702 0.63776932 0.38017372 1
C C6 1 0.48442774 0.60396005 0.85806288 1
C C7 1 -0.01565092 0.50804937 0.11990005 1
C C8 1 0.48423352 0.12792467 0.38145790 1
C C9 1 0.48413610 0.55217979 0.46625965 1
| -154.35867 |
6,629 | C-172933-8739-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.67346000
_cell_length_b 4.24174000
_cell_length_c 4.88396000
_cell_angle_alpha 90.11139000
_cell_angle_beta 83.14108000
_cell_angle_gamma 66.74134000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 69.31553537
_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 0.77778586 0.47247139 -0.08332897 1
C C1 1 0.74256537 0.49222963 0.41128079 1
C C2 1 0.24874460 0.93489391 0.72934005 1
C C3 1 0.69233117 0.00891177 0.17964183 1
C C4 1 0.76094769 0.15576846 0.40936782 1
C C5 1 0.59819923 0.20407999 0.92232648 1
C C6 1 0.20525691 0.23036285 0.85811144 1
C C7 1 0.71141780 0.67223542 0.17784195 1
C C8 1 0.67653086 0.69191551 0.67261182 1
C C9 1 0.85555000 0.96053057 0.66692029 1
| -154.107067 |
4,011 | C-76040-1153-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19751000
_cell_length_b 4.30225000
_cell_length_c 3.75715000
_cell_angle_alpha 64.20271000
_cell_angle_beta 90.06143000
_cell_angle_gamma 60.79431000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 51.31777065
_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 0.62386250 0.22168131 0.88113576 1
C C1 1 0.99549054 0.46389330 1.06432725 1
C C2 1 0.27515271 0.88750600 0.85185783 1
C C3 1 0.63862258 0.87621300 0.85736767 1
C C4 1 0.00916797 0.12027879 1.03713800 1
C C5 1 0.35881882 0.45246132 0.06926906 1
C C6 1 0.62443084 0.22044727 0.48681371 1
C C7 1 0.00959894 0.11930171 0.43277772 1
| -154.144528 |
4,412 | C-130542-9068-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43066000
_cell_length_b 4.69538000
_cell_length_c 4.63273000
_cell_angle_alpha 77.23123000
_cell_angle_beta 58.68688000
_cell_angle_gamma 74.53661000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.31734549
_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 0.90068664 0.57175877 0.72235218 1
C C1 1 0.23429822 0.34988313 0.50007649 1
C C2 1 -0.09931336 0.90509211 1.05568551 1
C C3 1 0.90068664 0.23842544 0.38901884 1
C C4 1 0.23429822 0.68321646 0.83340982 1
C C5 1 0.23429822 1.01654979 0.16674316 1
| -154.454318 |
6,879 | C-170894-4901-68 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.40141000
_cell_length_b 3.40488000
_cell_length_c 6.93532000
_cell_angle_alpha 82.07625000
_cell_angle_beta 69.20041000
_cell_angle_gamma 89.53496000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 74.29676861
_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 0.07341079 0.06858489 0.27951853 1
C C1 1 0.96238037 0.98302649 0.95776476 1
C C2 1 0.29025535 0.84895505 0.76675292 1
C C3 1 0.62706898 0.51629861 0.76308713 1
C C4 1 0.05520183 0.72021574 0.63070013 1
C C5 1 -0.01562225 0.09336356 0.50320111 1
C C6 1 0.41503541 0.32882078 0.15982976 1
C C7 1 0.55330153 0.21891227 0.63087416 1
C C8 1 0.30700587 0.41582867 0.50333116 1
C C9 1 0.68001085 0.27399967 -0.04958314 1
C C10 1 0.55766020 0.54863162 0.27962976 1
C C11 1 -0.11366443 0.83424624 0.18230632 1
| -154.10179 |
7,135 | C-126153-9712-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46393000
_cell_length_b 3.79533000
_cell_length_c 7.35019000
_cell_angle_alpha 89.10153000
_cell_angle_beta 80.31314000
_cell_angle_gamma 71.07251000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 64.03544852
_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 1.20135823 1.02045378 -0.01132729 1
C C1 1 0.79324234 -0.04669734 0.87179223 1
C C2 1 1.02520082 0.53543623 0.82753033 1
C C3 1 0.16180473 0.89914410 0.18849130 1
C C4 1 0.80744106 0.24035998 0.55297632 1
C C5 1 0.39036000 0.48193132 0.14612157 1
C C6 1 -0.01754368 0.41569039 0.02840560 1
C C7 1 0.37907393 0.18737456 0.46368228 1
C C8 1 0.66470130 0.32951418 0.75315543 1
C C9 1 0.52263286 0.10379350 0.26366893 1
| -154.211664 |
5,771 | C-136258-6886-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44923000
_cell_length_b 4.58273000
_cell_length_c 8.35038000
_cell_angle_alpha 99.39987000
_cell_angle_beta 90.04641000
_cell_angle_gamma 74.49185000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 89.01038415
_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 0.11660885 0.18572303 0.45377042 1
C C1 1 0.21328588 1.00163345 0.31157921 1
C C2 1 0.51398100 0.41181906 0.14198620 1
C C3 1 0.81522394 0.77656718 0.62130179 1
C C4 1 -0.06095116 0.56200495 0.17252524 1
C C5 1 0.39002612 0.62651243 0.59004538 1
C C6 1 0.37718124 0.67099925 0.89618848 1
C C7 1 0.95271385 0.51976850 0.86656152 1
C C8 1 0.56488903 0.28584811 0.54402996 1
C C9 1 0.67365609 0.08390069 0.06533651 1
C C10 1 0.11699740 0.18724713 0.80515810 1
C C11 1 0.76469411 0.90193062 0.22035542 1
C C12 1 1.21244227 0.00258793 0.96054293 1
C C13 1 0.65598309 0.10463948 0.69987845 1
| -154.214978 |
9,112 | C-53834-8651-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49090000
_cell_length_b 3.59257000
_cell_length_c 4.35415000
_cell_angle_alpha 95.69743000
_cell_angle_beta 73.39109000
_cell_angle_gamma 110.31341000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.01630329
_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 0.78982007 0.69892278 0.35566902 1
C C1 1 0.70676602 0.32866883 0.14977713 1
C C2 1 0.89480179 0.32864256 0.77395004 1
C C3 1 0.26616969 0.06990325 0.77373242 1
C C4 1 0.07672989 0.06977578 0.14989625 1
C C5 1 0.18438764 0.69903909 0.56780774 1
| -154.196988 |
8,506 | C-177276-5156-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45279000
_cell_length_b 4.73427000
_cell_length_c 6.17415000
_cell_angle_alpha 95.72187000
_cell_angle_beta 90.10499000
_cell_angle_gamma 104.98413000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.88395420
_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 0.85689142 0.79833302 0.68462154 1
C C1 1 0.19304575 0.47548535 0.38257455 1
C C2 1 0.32956170 0.74793858 0.53847177 1
C C3 1 0.59665437 0.27871774 0.84237849 1
C C4 1 0.41708554 0.93181308 0.15953292 1
C C5 1 0.04531141 0.18346082 0.47905655 1
C C6 1 0.02973139 0.14599680 0.72229950 1
C C7 1 0.55974393 0.21707849 0.07281260 1
C C8 1 0.69344095 0.47890201 0.23341354 1
C C9 1 0.45745017 0.00816822 0.40342787 1
C C10 1 0.82061351 0.73916716 0.09742297 1
C C11 1 0.76319536 0.61284962 0.86760921 1
| -154.274352 |
8,950 | C-193924-4401-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42423000
_cell_length_b 5.79823000
_cell_length_c 4.19182000
_cell_angle_alpha 46.31003000
_cell_angle_beta 90.00390000
_cell_angle_gamma 90.00473000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.60524678
_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 0.83764272 0.31115597 0.74103294 1
C C1 1 0.83801854 0.65717892 0.33424516 1
C C2 1 0.83838423 0.71681420 0.92762421 1
C C3 1 0.33842054 0.75049373 0.74004834 1
C C4 1 0.33763942 0.15648635 0.92678234 1
C C5 1 0.33803195 0.81041533 0.33330500 1
| -154.27449 |
7,541 | C-148246-9859-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47949000
_cell_length_b 4.42784000
_cell_length_c 9.64386000
_cell_angle_alpha 80.09734000
_cell_angle_beta 97.42354000
_cell_angle_gamma 89.96943000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 103.39813793
_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 0.21700250 0.89695084 0.27827501 1
C C1 1 0.16977366 0.36647206 0.18017947 1
C C2 1 0.13200238 0.10285921 0.10696746 1
C C3 1 0.72217606 0.70266360 0.28828415 1
C C4 1 0.98479740 0.96977602 0.81669897 1
C C5 1 1.04580861 0.69368912 0.93457502 1
C C6 1 0.49883104 0.14366521 0.84360596 1
C C7 1 0.24860714 0.21727051 0.33484609 1
C C8 1 0.58621873 0.72505772 0.01421637 1
C C9 1 0.85318670 0.39608126 0.53961374 1
C C10 1 0.77766818 0.35707330 0.39057447 1
C C11 1 0.38387325 0.42991848 0.60408662 1
C C12 1 0.45590055 0.47479219 0.75466421 1
C C13 1 0.65780371 0.55068277 0.15796538 1
C C14 1 -0.02714428 0.63389025 0.79074107 1
C C15 1 0.59051398 0.06063276 1.02322113 1
| -154.114725 |
2,148 | C-189713-5516-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37907000
_cell_length_b 2.46014000
_cell_length_c 5.30330000
_cell_angle_alpha 90.07889000
_cell_angle_beta 85.22610000
_cell_angle_gamma 69.22640000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.05458721
_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 0.77627225 0.16788326 -0.01241928 1
C C1 1 0.74608993 0.68341549 0.11478111 1
C C2 1 1.03102417 0.53779087 0.58521441 1
C C3 1 0.48688155 0.30754785 0.51614514 1
C C4 1 0.67906860 0.71380054 0.39006279 1
C C5 1 0.84013859 0.13158120 0.71243593 1
| -154.15294 |
9,097 | C-194795-4126-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49144000
_cell_length_b 8.37268000
_cell_length_c 6.70729000
_cell_angle_alpha 120.84534000
_cell_angle_beta 78.39013000
_cell_angle_gamma 117.60348000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 106.32956910
_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 0.57645448 0.93146676 -0.08198462 1
C C1 1 -0.06221624 0.80735956 -0.18105083 1
C C2 1 0.86200717 0.57602880 0.38467862 1
C C3 1 0.37500284 0.21041789 0.16741488 1
C C4 1 0.03701801 0.78410572 0.57258522 1
C C5 1 0.71924798 0.90775621 0.56890357 1
C C6 1 0.86903798 0.95742501 0.37191663 1
C C7 1 0.51901871 0.38858391 0.41110935 1
C C8 1 0.08088836 0.57496270 0.17447318 1
C C9 1 0.97308735 0.49179707 0.79309365 1
C C10 1 -0.17982182 0.40992510 0.95556147 1
C C11 1 0.63706582 0.63953302 0.88129501 1
C C12 1 0.89029821 0.34697531 0.52647066 1
C C13 1 0.49100137 0.20563129 0.92620485 1
C C14 1 -0.14373468 0.07765531 0.81519237 1
C C15 1 0.57720483 0.73918829 0.14980549 1
C C16 1 0.55801331 0.08236652 0.37866266 1
C C17 1 0.69617772 0.09167212 0.15900623 1
| -154.117118 |
6,964 | C-92158-6662-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48102000
_cell_length_b 3.68913000
_cell_length_c 4.84380000
_cell_angle_alpha 68.43223000
_cell_angle_beta 104.82432000
_cell_angle_gamma 70.36724000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00212602
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.09234091 0.45287921 0.21230216 1
C C1 1 0.36659603 0.97940973 0.28753105 1
C C2 1 0.38253838 0.74074996 0.08112218 1
C C3 1 0.06833800 0.79629609 0.50956578 1
C C4 1 1.05247505 0.03501982 0.71607343 1
C C5 1 0.34378812 0.32247359 0.58514160 1
| -154.310126 |
9,880 | C-92114-1640-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31925000
_cell_length_b 3.51901000
_cell_length_c 3.51811000
_cell_angle_alpha 59.94790000
_cell_angle_beta 89.99995000
_cell_angle_gamma 89.99765000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.56905024
_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 0.43857980 0.49324402 1.25320097 1
C C1 1 0.60448622 0.26129419 0.02153345 1
C C2 1 0.77232974 0.49306327 0.55753228 1
C C3 1 1.10443990 1.18906362 0.55756063 1
C C4 1 0.27249960 -0.04272491 0.02126077 1
C C5 1 0.93865534 0.95744870 0.32539449 1
| -154.411918 |
8,351 | C-28244-7753-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44978000
_cell_length_b 5.77946000
_cell_length_c 5.43033000
_cell_angle_alpha 112.83777000
_cell_angle_beta 89.96755000
_cell_angle_gamma 115.08018000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 62.92668391
_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 0.37797213 1.05588785 0.18319399 1
C C1 1 0.78536142 0.46091851 0.06280864 1
C C2 1 0.42975103 0.60537068 0.02151995 1
C C3 1 0.73635673 0.91418412 0.13204304 1
C C4 1 0.57300351 0.25020348 0.74859450 1
C C5 1 0.21686300 0.39433100 0.70652805 1
C C6 1 0.30843589 0.48516643 0.47336960 1
C C7 1 0.69349103 0.36949902 0.29523953 1
C C8 1 0.26592455 -0.05885265 0.63841837 1
C C9 1 0.62358080 0.79901486 0.58542493 1
| -154.198835 |
5,212 | C-193942-6433-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25074000
_cell_length_b 3.63586000
_cell_length_c 3.28449000
_cell_angle_alpha 75.32135000
_cell_angle_beta 99.16300000
_cell_angle_gamma 104.51554000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.16400200
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.05686284 0.84063909 0.65016483 1
C C1 1 0.47375051 0.45826626 0.27816147 1
C C2 1 0.20749386 0.07657128 0.22461936 1
C C3 1 0.84558952 0.07763791 0.86306128 1
C C4 1 -0.21036928 0.45908534 0.59622229 1
C C5 1 0.41791415 0.83936682 1.01204847 1
| -154.193564 |
4,379 | C-130254-5014-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44469000
_cell_length_b 6.69348000
_cell_length_c 10.29326000
_cell_angle_alpha 114.90898000
_cell_angle_beta 103.92994000
_cell_angle_gamma 89.93911000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C22
_cell_volume 147.30671030
_cell_formula_units_Z 22
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.04471405 0.87596305 0.88977763 1
C C1 1 0.88295294 -0.01503464 0.33074643 1
C C2 1 0.63064155 0.17410060 0.57058669 1
C C3 1 0.68771467 0.08570389 0.12322930 1
C C4 1 0.45963728 0.11936065 0.40540094 1
C C5 1 0.53125310 0.94949550 0.96451315 1
C C6 1 0.62841250 0.39512124 0.07045786 1
C C7 1 0.92857313 0.42132532 0.86677870 1
C C8 1 0.35658954 0.41118650 0.79442927 1
C C9 1 0.38292414 0.66166801 0.32919734 1
C C10 1 1.09183265 0.45606169 0.53229930 1
C C11 1 0.18953061 0.31824044 0.62840285 1
C C12 1 0.18622276 0.89705159 0.62083504 1
C C13 1 0.06535707 0.41263290 1.00757193 1
C C14 1 0.21347116 0.69653286 0.65332887 1
C C15 1 0.88591336 0.76334535 0.33348405 1
C C16 1 0.48982310 0.37071390 0.43217521 1
C C17 1 0.67454911 0.98681500 0.60964690 1
C C18 1 0.75717382 0.32864907 0.19620905 1
C C19 1 0.71826885 -0.07198519 0.17065389 1
C C20 1 0.80274917 0.73749129 0.74178519 1
C C21 1 1.35578582 0.42189838 0.29517489 1
| -154.076817 |
9,944 | C-170906-4496-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.40497000
_cell_length_b 3.35132000
_cell_length_c 4.58169000
_cell_angle_alpha 111.50913000
_cell_angle_beta 90.86382000
_cell_angle_gamma 87.92690000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.60941062
_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 0.67819941 0.80652334 0.20444936 1
C C1 1 0.03141684 0.70489074 0.70474398 1
C C2 1 0.31910638 0.40717789 0.70559098 1
C C3 1 0.84418228 0.03150336 0.98999332 1
C C4 1 0.02354505 0.72887213 0.38586790 1
C C5 1 0.33215036 0.06560192 0.38605007 1
C C6 1 0.51117047 0.36627963 -0.00981639 1
C C7 1 0.17836880 0.29455490 0.18052018 1
| -154.197368 |
7,801 | C-145355-492-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48483000
_cell_length_b 4.78180000
_cell_length_c 4.67706000
_cell_angle_alpha 76.25253000
_cell_angle_beta 105.41484000
_cell_angle_gamma 121.33318000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.42545800
_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 0.03295204 0.04023804 0.03638002 1
C C1 1 0.35545704 0.57642265 0.60747031 1
C C2 1 -0.00106077 0.33427704 0.38078758 1
C C3 1 1.02334392 0.51497481 1.06600063 1
C C4 1 0.31952168 0.87034661 0.95015394 1
C C5 1 0.08172649 0.80240827 0.60922591 1
C C6 1 0.27198662 0.10852041 0.37828689 1
C C7 1 0.33227528 0.39594917 0.92204761 1
| -154.363494 |
255 | C-28242-4049-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45016000
_cell_length_b 5.43444000
_cell_length_c 5.77368000
_cell_angle_alpha 112.64931000
_cell_angle_beta 115.10560000
_cell_angle_gamma 90.03812000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 62.99622890
_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 0.99909297 0.93214473 0.61419750 1
C C1 1 -0.09082595 0.16451226 0.52272217 1
C C2 1 0.26552252 0.20619287 0.37843039 1
C C3 1 0.95579465 1.09513062 1.06917529 1
C C4 1 0.38310934 0.75434786 0.49874117 1
C C5 1 0.42955044 0.58860455 0.04322277 1
C C6 1 0.47506293 0.52088246 0.58937192 1
C C7 1 0.11973776 0.47827678 0.73369805 1
C C8 1 0.31181869 0.04422479 0.92748751 1
C C9 1 1.06916307 0.64191698 0.18506873 1
| -154.201815 |
6,531 | C-72726-1363-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.43256000
_cell_length_b 3.40883000
_cell_length_c 5.76856000
_cell_angle_alpha 88.94812000
_cell_angle_beta 105.48949000
_cell_angle_gamma 95.70307000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 64.72211514
_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 0.20920086 0.34756263 0.75435070 1
C C1 1 0.72450330 0.20293526 0.16200617 1
C C2 1 0.64869449 0.27890306 0.89658401 1
C C3 1 1.04116735 0.45213518 0.29172158 1
C C4 1 0.51696722 0.93356499 0.27243569 1
C C5 1 0.85646717 -0.00063827 0.74946931 1
C C6 1 0.19689428 0.69218297 0.13855316 1
C C7 1 0.26392845 0.53488142 0.53187700 1
C C8 1 -0.01040310 0.62586967 0.88771982 1
C C9 1 0.56433267 0.83995190 0.52359716 1
| -154.072453 |
9,470 | C-76058-7769-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45488000
_cell_length_b 3.35336000
_cell_length_c 8.18640000
_cell_angle_alpha 84.71128000
_cell_angle_beta 63.26534000
_cell_angle_gamma 68.56933000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 55.81411932
_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 0.84237704 0.27151463 0.28866850 1
C C1 1 0.14877435 0.95540164 0.85667876 1
C C2 1 0.53606990 0.91270191 0.94643426 1
C C3 1 0.28605441 0.11268051 0.37926686 1
C C4 1 1.26419604 -0.13372030 0.14250568 1
C C5 1 0.01101185 0.07371874 0.57601296 1
C C6 1 0.70824012 0.70633231 0.23302638 1
C C7 1 0.39515348 0.03463377 0.66628820 1
| -154.204521 |
3,748 | C-107732-5386-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.17941000
_cell_length_b 4.66980000
_cell_length_c 4.30744000
_cell_angle_alpha 89.74934000
_cell_angle_beta 104.39783000
_cell_angle_gamma 110.75195000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.67803179
_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 0.57016866 0.56533741 0.51638662 1
C C1 1 0.25589463 0.56965156 0.20419758 1
C C2 1 0.25403238 0.88241110 0.19853472 1
C C3 1 0.70151738 0.33147239 0.65196200 1
C C4 1 1.01659151 0.32784668 -0.03586074 1
C C5 1 0.73001112 0.85481354 0.67745510 1
C C6 1 1.02113692 1.01646606 0.96978061 1
C C7 1 0.54587211 1.04270966 0.49086862 1
| -154.191533 |
2,753 | C-157670-1845-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46321000
_cell_length_b 4.14817000
_cell_length_c 7.79361000
_cell_angle_alpha 95.71411000
_cell_angle_beta 98.66926000
_cell_angle_gamma 91.94903000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 78.23534163
_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 -0.05612880 0.33702954 0.29342900 1
C C1 1 0.32652212 0.59652254 0.04800240 1
C C2 1 0.52322923 0.47698731 0.77937786 1
C C3 1 0.89816227 0.83224958 0.05363057 1
C C4 1 -0.00207081 -0.01459542 0.24453201 1
C C5 1 0.08067618 0.37299380 0.87883528 1
C C6 1 0.89920287 0.42530804 0.49800300 1
C C7 1 0.42887760 0.31397696 0.59108392 1
C C8 1 0.55233770 0.83394302 0.31805378 1
C C9 1 0.44250665 0.85672996 0.78407315 1
C C10 1 0.79687012 0.79574131 0.50750539 1
C C11 1 0.97827497 -0.00199388 0.88348269 1
C C12 1 0.35513539 0.94391723 0.59837813 1
C C13 1 0.43219011 0.49605241 0.22981223 1
| -154.181804 |
1,952 | C-152567-8657-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65534000
_cell_length_b 4.25122000
_cell_length_c 4.90016000
_cell_angle_alpha 88.61101000
_cell_angle_beta 102.63172000
_cell_angle_gamma 103.12426000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 92.12643169
_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 0.18827681 0.81971260 1.07639339 1
C C1 1 0.88775228 0.73617120 0.63777613 1
C C2 1 0.22003554 0.80795330 0.60461581 1
C C3 1 0.69251798 -0.01847281 0.00897349 1
C C4 1 0.13960551 0.29167590 0.33002856 1
C C5 1 0.37377264 1.00053608 0.88186096 1
C C6 1 0.30057360 0.33334782 0.86975951 1
C C7 1 -0.11313816 0.85399965 0.90560665 1
C C8 1 0.60641617 0.21236070 0.40364540 1
C C9 1 0.63398697 0.49686219 0.54889079 1
C C10 1 0.81130724 0.14987909 0.27007906 1
C C11 1 0.22286124 0.47570587 0.08061989 1
C C12 1 0.28764097 0.00820685 0.35361725 1
C C13 1 0.32105763 0.49486626 0.60111312 1
| -154.081077 |
2,956 | C-152587-3980-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49057000
_cell_length_b 3.93748000
_cell_length_c 5.94758000
_cell_angle_alpha 82.30284000
_cell_angle_beta 102.04949000
_cell_angle_gamma 89.98953000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.50253220
_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 0.82158011 0.80123621 0.83611127 1
C C1 1 0.48500302 1.03680594 0.16744388 1
C C2 1 0.69175500 0.96112919 0.56910255 1
C C3 1 0.30275977 0.29045955 0.79727962 1
C C4 1 0.58848515 0.73543177 0.36741609 1
C C5 1 0.84869945 0.43403325 0.88833432 1
C C6 1 0.08298802 0.50150645 0.35695489 1
C C7 1 0.97873937 0.27618200 0.15509285 1
C C8 1 0.18557031 0.19957972 0.55682544 1
C C9 1 0.36739330 0.94442553 0.92706980 1
| -154.333239 |
9,142 | C-172914-2327-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47901000
_cell_length_b 4.81252000
_cell_length_c 6.06810000
_cell_angle_alpha 80.07545000
_cell_angle_beta 90.02272000
_cell_angle_gamma 59.00719000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 60.78830206
_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 0.90756127 0.32557646 0.63029815 1
C C1 1 0.89886519 0.83257247 0.20505923 1
C C2 1 0.23580788 0.49663226 0.15656402 1
C C3 1 0.18835356 0.54574117 0.62630482 1
C C4 1 0.85952300 0.87430117 0.46556474 1
C C5 1 0.14283069 0.09042999 0.47356915 1
C C6 1 -0.01281355 0.24458058 0.89048627 1
C C7 1 0.21569009 0.01595671 0.11276527 1
C C8 1 0.93352617 0.29986895 0.23868879 1
C C9 1 0.27970079 0.45316095 0.90164817 1
| -154.131853 |
4,329 | C-53844-8150-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46661000
_cell_length_b 3.38408000
_cell_length_c 6.26772000
_cell_angle_alpha 113.75304000
_cell_angle_beta 101.35912000
_cell_angle_gamma 111.37839000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.80284529
_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 0.44811646 0.82285406 0.20197822 1
C C1 1 0.46199297 0.64974174 0.40247067 1
C C2 1 0.16264937 0.12705561 0.32671447 1
C C3 1 0.48611193 0.30251691 0.80227951 1
C C4 1 0.17665973 0.95399661 0.52730473 1
C C5 1 0.13302984 0.47240056 0.92708311 1
| -154.162095 |
2,645 | C-136225-3934-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46146000
_cell_length_b 3.63348000
_cell_length_c 4.48891000
_cell_angle_alpha 73.63175000
_cell_angle_beta 95.34479000
_cell_angle_gamma 63.42891000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 33.30867890
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.07759387 0.19616777 0.82835493 1
C C1 1 0.34966137 0.71563163 0.06225110 1
C C2 1 0.38513771 0.46986987 0.82820724 1
C C3 1 0.91668612 0.85685408 0.50665319 1
C C4 1 0.22391304 0.13055072 0.50655457 1
C C5 1 0.95459238 0.61032173 0.27276267 1
| -154.204642 |
2,189 | C-189696-7506-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48796000
_cell_length_b 2.48813000
_cell_length_c 6.57823000
_cell_angle_alpha 67.76026000
_cell_angle_beta 79.08570000
_cell_angle_gamma 59.98321000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.63697379
_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 0.30008727 0.12421143 0.72352553 1
C C1 1 0.63334916 1.12486191 0.05631157 1
C C2 1 0.63338984 0.37486612 0.80626115 1
C C3 1 0.96661336 0.37482468 0.13976393 1
C C4 1 0.29951596 0.37479213 0.47350156 1
C C5 1 -0.03387758 0.12481004 0.39012357 1
| -154.545392 |
3,379 | C-172926-5427-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47395000
_cell_length_b 4.23436000
_cell_length_c 6.91046000
_cell_angle_alpha 127.79028000
_cell_angle_beta 89.99748000
_cell_angle_gamma 90.00012000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.20777961
_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 0.96284505 0.50618226 0.96750855 1
C C1 1 0.46285671 0.59734642 0.70722450 1
C C2 1 0.46306046 0.11786540 0.22781732 1
C C3 1 0.46279050 0.15994118 0.60104277 1
C C4 1 -0.03699220 0.63084581 0.22933870 1
C C5 1 0.46297667 0.89256874 0.33379059 1
C C6 1 0.46289763 0.72690799 0.96746030 1
C C7 1 -0.03694861 0.37585234 0.31413716 1
C C8 1 0.96274919 0.10731281 0.70566912 1
C C9 1 0.96286261 0.68296385 0.62102538 1
| -154.36044 |
9,381 | C-172965-3737-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47511000
_cell_length_b 4.24861000
_cell_length_c 3.72209000
_cell_angle_alpha 64.00191000
_cell_angle_beta 90.00340000
_cell_angle_gamma 90.00448000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.17997190
_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 0.65202715 0.98308148 0.44441543 1
C C1 1 0.15197987 0.48217060 0.89936558 1
C C2 1 0.65204074 0.70520860 0.87902051 1
C C3 1 0.65203617 0.70503610 0.28785309 1
C C4 1 0.15199345 0.20429772 0.33397066 1
C C5 1 0.15198444 0.48234310 0.49053301 1
| -154.285341 |
9,188 | C-76016-983-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47878000
_cell_length_b 4.28893000
_cell_length_c 6.78070000
_cell_angle_alpha 102.16479000
_cell_angle_beta 111.40342000
_cell_angle_gamma 90.01681000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 65.37268061
_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 0.62412477 0.19227982 0.60265710 1
C C1 1 1.03838307 0.66389189 1.01698413 1
C C2 1 0.70745742 0.88721221 0.68618071 1
C C3 1 0.78892946 0.24625934 0.26776052 1
C C4 1 0.12392248 0.69228475 0.60263310 1
C C5 1 0.45496410 0.46980632 0.93355877 1
C C6 1 0.87294065 0.60763673 0.35177223 1
C C7 1 0.20768012 0.38722690 0.68617507 1
C C8 1 0.53827514 0.16388227 0.01697257 1
C C9 1 -0.04514311 0.96979016 0.93355895 1
C C10 1 0.28911680 0.74627165 0.26775980 1
C C11 1 0.37281550 0.10763787 0.35179065 1
| -154.537481 |
163 | C-73669-4812-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67798000
_cell_length_b 3.49050000
_cell_length_c 4.67545000
_cell_angle_alpha 103.11253000
_cell_angle_beta 126.24326000
_cell_angle_gamma 108.76172000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.83993699
_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 0.52351992 0.98983614 0.39582532 1
C C1 1 -0.10510772 0.10220760 0.81763759 1
C C2 1 0.36152337 0.48955488 0.73375197 1
C C3 1 0.18365977 0.96922247 0.39135507 1
C C4 1 0.34565632 0.46950373 0.05342842 1
C C5 1 0.05211723 0.60181141 0.47468468 1
C C6 1 0.81228741 0.85685101 -0.03045720 1
C C7 1 0.65506246 0.35724720 0.31249571 1
| -154.106825 |
7,509 | C-170352-5915-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48140000
_cell_length_b 3.68935000
_cell_length_c 4.21684000
_cell_angle_alpha 75.17926000
_cell_angle_beta 90.02534000
_cell_angle_gamma 70.35258000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98822587
_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 0.19690297 0.37768856 0.66574042 1
C C1 1 0.94092886 0.89358654 0.09445094 1
C C2 1 0.39427460 0.98008755 0.59034431 1
C C3 1 0.51917662 0.73690616 0.96362561 1
C C4 1 -0.02727581 0.82319263 0.45951761 1
C C5 1 0.71623307 0.33915247 0.88813931 1
| -154.309972 |
1,189 | C-102905-3681-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48742000
_cell_length_b 4.30377000
_cell_length_c 6.57870000
_cell_angle_alpha 77.39190000
_cell_angle_beta 79.09209000
_cell_angle_gamma 73.19495000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 65.19111022
_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 0.16336092 0.32464461 0.13240196 1
C C1 1 0.66321308 0.44976782 1.00747833 1
C C2 1 0.49580780 0.82506468 0.96506264 1
C C3 1 -0.00446161 0.95017052 0.84015986 1
C C4 1 0.82952856 0.82476969 0.29855972 1
C C5 1 0.32966740 0.94977416 0.17362033 1
C C6 1 0.82924908 0.32507755 0.79857920 1
C C7 1 -0.00383198 0.44991093 0.34021529 1
C C8 1 0.16191741 -0.17505426 0.63234698 1
C C9 1 0.66202905 -0.05014997 0.50742320 1
C C10 1 0.32914967 0.45009941 0.67363935 1
C C11 1 0.49594203 0.32504287 0.46511705 1
| -154.542723 |
9,660 | C-172947-5402-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28114000
_cell_length_b 3.52732000
_cell_length_c 5.84729000
_cell_angle_alpha 124.42118000
_cell_angle_beta 97.30904000
_cell_angle_gamma 115.56121000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.65143931
_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 0.93749080 -0.07845562 0.17659108 1
C C1 1 0.53445582 0.32838723 0.98646810 1
C C2 1 0.49730836 -0.01792175 0.67788805 1
C C3 1 0.88096233 0.36610352 0.67869727 1
C C4 1 0.09446518 0.38887505 0.48780150 1
C C5 1 0.15130701 0.94428358 -0.01419360 1
| -154.113234 |
9,372 | C-148256-2422-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51653000
_cell_length_b 4.87176000
_cell_length_c 8.21467000
_cell_angle_alpha 129.41202000
_cell_angle_beta 107.92710000
_cell_angle_gamma 90.01259000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 71.36163530
_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 0.71451043 0.42391760 0.64861221 1
C C1 1 0.52740238 -0.15084783 -0.03890398 1
C C2 1 0.37237212 0.77452730 0.30855684 1
C C3 1 0.83853021 0.28863090 0.77299184 1
C C4 1 0.49819574 0.48369823 0.93261344 1
C C5 1 0.69680988 0.20554784 0.13390786 1
C C6 1 0.11960744 0.70061286 0.55487437 1
C C7 1 0.91189095 0.28634056 0.34885204 1
C C8 1 0.45433863 0.15825020 0.39104776 1
C C9 1 -0.38277986 0.86620588 0.55241919 1
C C10 1 0.72286091 0.54561710 0.15922840 1
C C11 1 0.28871757 0.65260986 0.72196632 1
| -154.116654 |
1,727 | C-13696-4228-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48815000
_cell_length_b 4.30449000
_cell_length_c 4.30596000
_cell_angle_alpha 80.39374000
_cell_angle_beta 106.78386000
_cell_angle_gamma 89.99309000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.47702127
_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 0.34177925 0.23739670 1.11561797 1
C C1 1 0.09182387 0.98715575 0.61560919 1
C C2 1 -0.22075000 0.42524281 0.99045190 1
C C3 1 0.52934209 0.17503649 0.49044982 1
C C4 1 0.84167069 0.73735678 0.11564001 1
C C5 1 0.27918892 0.92523752 0.99048064 1
C C6 1 1.02923354 0.67499657 0.49047185 1
C C7 1 0.59176278 0.48715046 0.61563793 1
| -154.546135 |
1,461 | C-189744-1391-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43060000
_cell_length_b 4.38494000
_cell_length_c 4.29541000
_cell_angle_alpha 84.75497000
_cell_angle_beta 91.51927000
_cell_angle_gamma 72.26064000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.34990463
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.15793464 0.83051290 0.75336426 1
C C1 1 0.49090344 0.16415653 1.08637254 1
C C2 1 0.93654580 0.27520764 0.19816922 1
C C3 1 0.60357655 0.94150156 -0.13482969 1
C C4 1 0.26989461 0.60862352 0.53142812 1
C C5 1 0.82425355 0.49758776 0.41966216 1
| -154.432979 |
5,515 | C-73631-2702-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68562000
_cell_length_b 3.68378000
_cell_length_c 4.70666000
_cell_angle_alpha 75.24622000
_cell_angle_beta 104.74589000
_cell_angle_gamma 127.34841000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.70729087
_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 0.83001520 0.34615151 0.60521987 1
C C1 1 0.64633910 0.96381675 0.86826968 1
C C2 1 0.70058810 0.21643450 0.10527808 1
C C3 1 0.26464813 0.91115521 0.23383493 1
C C4 1 0.88291815 0.72735845 -0.02899094 1
C C5 1 0.13586214 0.78207374 0.73391035 1
C C6 1 0.31926296 0.16395961 0.47107895 1
C C7 1 0.08272913 0.40046003 0.36833797 1
| -154.137044 |
6,460 | C-176637-1600-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72791000
_cell_length_b 4.30139000
_cell_length_c 3.72822000
_cell_angle_alpha 54.70106000
_cell_angle_beta 70.51794000
_cell_angle_gamma 54.70841000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.82477201
_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 0.57777290 0.41568262 0.01273039 1
C C1 1 0.07768830 -0.08434386 0.51266136 1
C C2 1 0.32805686 0.41539382 0.76287200 1
C C3 1 0.32740435 0.91594494 0.76251975 1
C C4 1 0.07770396 0.16571467 1.01270536 1
C C5 1 0.57775725 0.16562409 0.51268639 1
| -154.079283 |
597 | C-152575-7588-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06937000
_cell_length_b 3.63631000
_cell_length_c 4.48127000
_cell_angle_alpha 100.20948000
_cell_angle_beta 76.95326000
_cell_angle_gamma 70.12290000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.02597774
_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 0.84033507 0.19474895 0.46464701 1
C C1 1 0.64921397 0.59721043 0.65368980 1
C C2 1 0.34999328 0.24955163 -0.03522222 1
C C3 1 0.15749166 1.03446497 0.15585408 1
C C4 1 0.64773723 0.97951418 0.65560401 1
C C5 1 0.34805050 0.63204003 0.96686942 1
| -154.131903 |
3,021 | C-142773-2815-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48359000
_cell_length_b 3.82352000
_cell_length_c 5.22842000
_cell_angle_alpha 99.00859000
_cell_angle_beta 89.98574000
_cell_angle_gamma 108.94310000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.31312639
_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 0.35920347 0.40268394 0.28934818 1
C C1 1 0.72966298 0.14768466 0.61635052 1
C C2 1 0.39474813 0.47585287 1.00992030 1
C C3 1 0.78431903 0.25359308 0.90308204 1
C C4 1 0.11927593 -0.07471269 0.50950763 1
C C5 1 0.61021171 0.90422443 1.06527566 1
C C6 1 0.15628522 0.99866039 0.23009901 1
C C7 1 0.90520183 0.49708442 0.45414916 1
| -154.222011 |
8,073 | C-13694-2590-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.53537000
_cell_length_b 5.25786000
_cell_length_c 5.25470000
_cell_angle_alpha 47.83421000
_cell_angle_beta 77.18705000
_cell_angle_gamma 77.09802000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 50.35835039
_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 0.68724373 0.10591395 0.36748123 1
C C1 1 0.53160316 0.61317592 0.18001082 1
C C2 1 0.68728326 0.47816383 0.99516018 1
C C3 1 0.25518480 0.53607916 0.78985979 1
C C4 1 0.39746844 0.23576872 0.80188786 1
C C5 1 0.39798004 0.91197341 0.12586309 1
C C6 1 0.25535270 0.90054229 0.42554675 1
C C7 1 0.53150007 0.29053851 0.50261378 1
| -154.097529 |
7,534 | C-80148-5004-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46928000
_cell_length_b 3.58800000
_cell_length_c 10.27644000
_cell_angle_alpha 114.95318000
_cell_angle_beta 83.04925000
_cell_angle_gamma 110.16529000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 77.45606548
_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 0.64315720 0.87263015 0.94303176 1
C C1 1 0.95318047 0.29778257 0.75521924 1
C C2 1 0.64156834 1.02685281 0.10131375 1
C C3 1 0.84929692 0.53826450 0.20732446 1
C C4 1 0.44715114 0.38284313 0.85157472 1
C C5 1 0.76985234 0.67246522 0.50646540 1
C C6 1 0.23685227 0.00156490 0.88533383 1
C C7 1 0.27598073 0.61331405 0.43539660 1
C C8 1 0.15952477 0.67858556 0.72128341 1
C C9 1 0.27380842 0.45807935 0.27921214 1
C C10 1 0.06262285 0.93902682 0.17152251 1
C C11 1 0.75379535 -0.19330095 0.66345749 1
| -154.206738 |
9,223 | C-113072-9570-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44626000
_cell_length_b 3.37278000
_cell_length_c 7.51425000
_cell_angle_alpha 101.52547000
_cell_angle_beta 90.03984000
_cell_angle_gamma 110.99688000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.53666748
_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 0.38295614 0.02681432 0.36332268 1
C C1 1 0.73711219 0.73519306 0.08156214 1
C C2 1 0.44898702 0.16034381 0.56112081 1
C C3 1 1.12050095 0.49713804 0.79363602 1
C C4 1 0.19044747 0.64148407 -0.00941295 1
C C5 1 -0.11166899 0.03780280 0.65381203 1
C C6 1 0.83584236 0.93351580 0.27160438 1
C C7 1 0.67991046 0.61716961 0.70079509 1
| -154.185623 |
6,622 | C-184062-776-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43711000
_cell_length_b 5.26976000
_cell_length_c 5.27192000
_cell_angle_alpha 74.87658000
_cell_angle_beta 95.91867000
_cell_angle_gamma 84.07880000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 64.41462160
_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 0.60291216 0.18961659 0.23037837 1
C C1 1 0.80653046 0.20332605 0.63881879 1
C C2 1 0.07596794 0.81604133 0.11309194 1
C C3 1 1.07023382 0.65301284 0.61233848 1
C C4 1 0.10783791 0.07200911 0.19476392 1
C C5 1 0.64186584 0.39910314 0.37388347 1
C C6 1 0.53473085 0.83199210 0.94060171 1
C C7 1 0.57525447 0.68870681 0.72968821 1
C C8 1 0.36832680 0.09630803 0.74480342 1
C C9 1 1.10053564 0.57200088 0.35644569 1
| -154.134283 |
7,729 | C-9601-1359-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06387000
_cell_length_b 4.38535000
_cell_length_c 4.66029000
_cell_angle_alpha 72.43710000
_cell_angle_beta 94.13629000
_cell_angle_gamma 104.50809000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.79351287
_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 0.79140901 0.78257406 0.75282944 1
C C1 1 0.66097298 0.65043520 0.52097487 1
C C2 1 0.82124369 0.81154487 0.22972310 1
C C3 1 0.34491261 0.33286513 0.20551763 1
C C4 1 1.10487591 1.09683957 0.75850072 1
C C5 1 0.34986950 0.33627029 0.51540406 1
C C6 1 0.10970428 0.10101826 0.06737088 1
C C7 1 0.63547032 0.62155841 0.04460470 1
| -154.18385 |
8,490 | C-193946-2107-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68914000
_cell_length_b 2.48122000
_cell_length_c 4.84285000
_cell_angle_alpha 104.80351000
_cell_angle_beta 122.62855000
_cell_angle_gamma 70.33520000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00246387
_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 0.15179013 1.10751386 0.22355446 1
C C1 1 0.56944957 0.64722010 0.72754399 1
C C2 1 0.43953616 0.52906136 0.35447915 1
C C3 1 0.85702213 1.06889185 0.85840675 1
C C4 1 -0.08691579 0.32906189 0.43003145 1
C C5 1 0.09569160 -0.15140726 0.65170251 1
| -154.310156 |
5,716 | C-193954-5904-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48213000
_cell_length_b 3.68813000
_cell_length_c 4.22343000
_cell_angle_alpha 74.97205000
_cell_angle_beta 90.03535000
_cell_angle_gamma 70.33251000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.99779117
_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 0.06589536 0.13421748 0.76481471 1
C C1 1 0.03576164 0.20042116 0.39998991 1
C C2 1 0.28947968 0.68783322 0.97160730 1
C C3 1 0.81037083 0.64675415 0.19313616 1
C C4 1 0.61435007 0.04339197 0.26969023 1
C C5 1 0.48752462 0.29117222 0.89516919 1
| -154.314782 |
9,196 | C-102891-3492-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43931000
_cell_length_b 4.18257000
_cell_length_c 6.49594000
_cell_angle_alpha 104.94883000
_cell_angle_beta 79.27722000
_cell_angle_gamma 90.05343000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 62.83695466
_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 0.33138816 0.53013519 0.98799602 1
C C1 1 0.65194831 0.60389300 0.33493604 1
C C2 1 0.20672724 0.60749424 0.22859273 1
C C3 1 0.35565931 0.16916938 0.95054557 1
C C4 1 -0.13762456 0.00772814 -0.06159360 1
C C5 1 0.99124969 0.57192336 0.65689176 1
C C6 1 0.54533651 0.57584223 0.55016483 1
C C7 1 0.87673634 0.64560486 0.89696016 1
| -154.244225 |
2,885 | C-80195-4794-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48093000
_cell_length_b 3.80209000
_cell_length_c 5.99105000
_cell_angle_alpha 89.71988000
_cell_angle_beta 101.94420000
_cell_angle_gamma 89.84016000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 55.28730997
_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 0.72625747 0.87823197 0.73181073 1
C C1 1 0.72636976 0.46693363 0.73127222 1
C C2 1 1.06453480 0.17504499 0.40600246 1
C C3 1 -0.18506485 0.17157686 0.90784950 1
C C4 1 0.49693170 0.17468004 0.26988632 1
C C5 1 0.15124611 0.87948925 0.58133914 1
C C6 1 0.15134769 0.46836479 0.58086348 1
C C7 1 0.38365602 0.17206018 1.04422975 1
| -154.11242 |
4,460 | C-28262-8273-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42969000
_cell_length_b 5.31847000
_cell_length_c 5.40878000
_cell_angle_alpha 77.87387000
_cell_angle_beta 91.91425000
_cell_angle_gamma 89.81857000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 68.29217742
_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 0.18164787 0.82937895 0.91124748 1
C C1 1 0.16775811 0.10137571 0.77056776 1
C C2 1 0.20702008 0.38439103 0.25803646 1
C C3 1 0.70537409 -0.00508135 0.23636366 1
C C4 1 0.66326277 0.50419839 0.72672546 1
C C5 1 0.20863723 0.11322909 0.27236346 1
C C6 1 0.66561652 0.23385381 0.73939499 1
C C7 1 0.16717594 0.62160063 0.76369006 1
C C8 1 0.70539046 0.51634154 0.22691180 1
C C9 1 0.69568734 0.78922089 0.08705726 1
| -154.191802 |
621 | C-134191-3585-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43993000
_cell_length_b 6.02754000
_cell_length_c 6.26647000
_cell_angle_alpha 65.99638000
_cell_angle_beta 101.24086000
_cell_angle_gamma 78.30536000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 78.37827916
_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 0.52866469 0.69918649 0.31043955 1
C C1 1 0.52405352 0.17688787 0.77482861 1
C C2 1 0.33820401 1.11987536 0.34669979 1
C C3 1 0.71619813 0.60095250 0.58827795 1
C C4 1 0.28040250 0.75369684 0.86819810 1
C C5 1 0.93197673 0.30915750 0.72346003 1
C C6 1 0.92534673 0.78529657 0.18732595 1
C C7 1 -0.05884335 -0.00391744 0.42938339 1
C C8 1 0.11777786 0.36376757 0.15064557 1
C C9 1 0.73490395 0.88451426 0.90930534 1
C C10 1 0.51519630 0.48787718 1.06868804 1
C C11 1 0.17281103 0.73089250 0.63031129 1
| -154.217656 |
9,377 | C-176667-771-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47379000
_cell_length_b 4.22734000
_cell_length_c 7.88346000
_cell_angle_alpha 90.63647000
_cell_angle_beta 100.67481000
_cell_angle_gamma 95.02396000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 80.67227586
_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 0.72129604 0.81357130 0.23421416 1
C C1 1 0.62083632 0.66934056 0.05637841 1
C C2 1 0.04007835 0.29077109 0.94727927 1
C C3 1 1.04375003 0.30857104 0.62215991 1
C C4 1 0.27710826 0.68597700 0.33029732 1
C C5 1 -0.08837468 0.78578667 0.76876414 1
C C6 1 0.04966472 0.65538296 0.94419859 1
C C7 1 0.28600747 0.66375109 0.66066232 1
C C8 1 0.61156602 0.30268113 1.06154254 1
C C9 1 0.42411707 0.19086503 0.51408952 1
C C10 1 0.28911030 0.31507415 0.33248732 1
C C11 1 0.34402647 0.83805564 0.50290916 1
C C12 1 0.98551641 0.13129957 0.78102934 1
C C13 1 0.72277762 0.17931857 0.23895300 1
| -154.066986 |
4,387 | C-76034-2029-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11257000
_cell_length_b 3.39861000
_cell_length_c 3.39979000
_cell_angle_alpha 86.14028000
_cell_angle_beta 101.47142000
_cell_angle_gamma 78.54238000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.35851967
_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 0.66740315 0.57035290 0.25990942 1
C C1 1 0.66498207 0.92509988 0.90523188 1
C C2 1 0.00547991 0.33873001 0.49110554 1
C C3 1 1.21941569 1.11830019 0.23191048 1
C C4 1 1.00984005 0.98015942 0.84988108 1
C C5 1 0.45437460 0.79057446 0.52152159 1
C C6 1 0.45427833 0.30881316 1.03955386 1
C C7 1 0.21940362 0.59803938 0.71158346 1
| -154.328123 |
6,100 | C-148256-2422-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45682000
_cell_length_b 3.66278000
_cell_length_c 6.46046000
_cell_angle_alpha 98.51168000
_cell_angle_beta 79.06764000
_cell_angle_gamma 70.43073000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 52.35926309
_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 0.24905206 0.54878512 0.98915077 1
C C1 1 0.07221181 0.95054739 -0.06001100 1
C C2 1 0.67666484 0.06807403 0.61545202 1
C C3 1 -0.16162303 0.17512472 0.18541885 1
C C4 1 0.66240358 0.57587298 0.13557427 1
C C5 1 0.53576975 0.11233145 0.85262855 1
C C6 1 0.23636147 0.05305280 0.50915447 1
C C7 1 0.37602062 0.01192151 0.27226168 1
| -154.284008 |
619 | C-73639-7493-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90642000
_cell_length_b 4.28799000
_cell_length_c 6.76558000
_cell_angle_alpha 74.89464000
_cell_angle_beta 104.31708000
_cell_angle_gamma 64.81930000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 90.31290279
_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 -0.04412048 0.72142414 0.93843583 1
C C1 1 0.34533824 0.33586408 0.97659036 1
C C2 1 0.51711272 0.72672393 0.19598025 1
C C3 1 0.36818165 0.30839595 0.49639716 1
C C4 1 0.82658751 0.53291581 0.10188936 1
C C5 1 0.13397105 0.64784444 0.55130770 1
C C6 1 0.51931122 0.06279206 0.22148096 1
C C7 1 0.52354243 0.62527793 0.70759665 1
C C8 1 0.52578255 0.96128760 0.73318008 1
C C9 1 0.67494808 0.37938106 0.43258597 1
C C10 1 0.90910191 0.04023392 0.37745478 1
C C11 1 0.86423657 0.47615398 0.62019229 1
C C12 1 0.17879500 0.21178966 0.30894674 1
C C13 1 0.21611023 0.15546644 -0.17293247 1
C C14 1 0.69713065 0.35246576 -0.04738808 1
C C15 1 1.08657967 -0.03298566 0.99049412 1
| -154.105446 |
1,228 | C-96694-8817-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46811000
_cell_length_b 3.37326000
_cell_length_c 6.13581000
_cell_angle_alpha 58.20223000
_cell_angle_beta 78.33418000
_cell_angle_gamma 68.46359000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.38342486
_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 0.24364435 0.21080866 0.07891140 1
C C1 1 0.63808498 0.09259215 0.40717750 1
C C2 1 0.68139462 0.73862420 0.68119702 1
C C3 1 0.05086051 0.39117138 0.28239247 1
C C4 1 -0.16949669 0.91242177 0.20356059 1
C C5 1 0.20658333 0.56315085 0.80466621 1
| -154.146801 |
815 | C-40106-2927-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84119000
_cell_length_b 2.48288000
_cell_length_c 3.74720000
_cell_angle_alpha 89.98905000
_cell_angle_beta 89.90418000
_cell_angle_gamma 89.99750000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.73779699
_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 0.19905858 0.16129762 0.36392044 1
C C1 1 0.90371971 0.66126396 0.86809049 1
C C2 1 0.90460722 0.16126824 0.09675510 1
C C3 1 0.60995208 0.16174101 0.36493533 1
C C4 1 0.19807316 0.66112483 0.59979772 1
C C5 1 0.60899054 0.66158284 0.60102573 1
| -154.155142 |
2,559 | C-152552-1045-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47722000
_cell_length_b 4.92751000
_cell_length_c 5.94331000
_cell_angle_alpha 65.49194000
_cell_angle_beta 77.93905000
_cell_angle_gamma 59.80308000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.05332263
_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 0.35927756 0.39420998 0.56423672 1
C C1 1 0.22397549 0.40104860 0.82052391 1
C C2 1 0.20805924 0.91229889 0.83033665 1
C C3 1 0.55105539 0.01299813 -0.05772381 1
C C4 1 0.55058287 0.39097853 0.18636179 1
C C5 1 0.54991446 0.87138667 0.22708514 1
C C6 1 0.22360107 0.65705431 0.30819965 1
C C7 1 0.20736791 1.17840807 0.29800482 1
C C8 1 1.07399585 0.17946195 0.56416532 1
C C9 1 0.55004207 0.53447858 0.90136881 1
| -154.394248 |
1,661 | C-40091-1213-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31806000
_cell_length_b 3.51938000
_cell_length_c 3.51662000
_cell_angle_alpha 59.92765000
_cell_angle_beta 90.00965000
_cell_angle_gamma 90.00257000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.53770523
_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 0.13430597 0.14703563 1.07036344 1
C C1 1 0.29958791 0.68347665 0.30133059 1
C C2 1 0.63431711 0.68420589 0.99673127 1
C C3 1 -0.03275880 0.37901838 0.30212628 1
C C4 1 0.79959120 0.14781557 0.76557000 1
C C5 1 0.46723341 0.45235838 0.76476922 1
| -154.409562 |
5,442 | C-145389-5770-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30297000
_cell_length_b 4.18740000
_cell_length_c 7.08995000
_cell_angle_alpha 89.77163000
_cell_angle_beta 56.92771000
_cell_angle_gamma 78.23609000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 79.75602289
_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 0.26710546 0.22827873 0.40846740 1
C C1 1 0.72659256 0.69305729 -0.04024569 1
C C2 1 0.04404159 0.11645565 0.29525150 1
C C3 1 0.52211618 0.66547335 0.52124550 1
C C4 1 0.41263702 0.24591571 0.70078019 1
C C5 1 0.66743489 0.42792234 0.31060086 1
C C6 1 0.85585245 0.47624639 0.07557438 1
C C7 1 1.03631238 0.55909052 0.71625988 1
C C8 1 0.55883630 1.01022516 0.49011787 1
C C9 1 0.22562283 0.19409232 0.93543643 1
C C10 1 0.81432378 0.44528161 0.60254028 1
C C11 1 0.35301914 0.97768461 0.05221559 1
| -154.095747 |
6,933 | C-80176-5093-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48432000
_cell_length_b 6.56008000
_cell_length_c 4.67886000
_cell_angle_alpha 141.79385000
_cell_angle_beta 105.41177000
_cell_angle_gamma 79.06700000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.44250615
_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 0.79439970 0.05918730 0.25701174 1
C C1 1 0.40838359 0.59118908 0.01810232 1
C C2 1 0.12243036 0.35323679 0.20736546 1
C C3 1 0.63594882 0.87888404 0.76224605 1
C C4 1 0.29336415 0.28499912 0.48062263 1
C C5 1 0.57936919 0.52317741 0.29170452 1
C C6 1 -0.09297214 0.81696981 0.24145189 1
C C7 1 1.06331134 -0.00243294 0.73629970 1
| -154.366911 |
8,003 | C-106869-4718-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38570000
_cell_length_b 4.66261000
_cell_length_c 4.67581000
_cell_angle_alpha 103.64927000
_cell_angle_beta 76.92289000
_cell_angle_gamma 62.51393000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.62567672
_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 0.39186689 0.40691464 0.38547060 1
C C1 1 0.39380295 0.09044456 0.70177445 1
C C2 1 0.38873618 0.85378991 0.14937889 1
C C3 1 0.39103295 0.54237173 0.15422936 1
C C4 1 0.39427593 0.09559803 0.39028561 1
C C5 1 0.39358284 0.37989235 0.86255150 1
C C6 1 0.38944010 0.56938744 0.67714130 1
C C7 1 0.38962597 0.85868634 0.83770238 1
| -154.196323 |
5,122 | C-176650-8554-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26243000
_cell_length_b 3.40786000
_cell_length_c 4.66519000
_cell_angle_alpha 74.44216000
_cell_angle_beta 83.74166000
_cell_angle_gamma 59.67017000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.31902838
_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 0.56576491 0.81520781 0.39293842 1
C C1 1 0.48727605 0.17483002 0.10988122 1
C C2 1 0.74837528 0.37264260 1.04158643 1
C C3 1 0.30481326 0.61716889 0.46164378 1
C C4 1 0.58228197 0.06791262 0.60355526 1
C C5 1 0.16230988 0.57139979 0.18500580 1
C C6 1 0.47103320 -0.07801554 0.89919309 1
C C7 1 0.89080894 0.41877672 0.31780405 1
C C8 1 0.07633642 0.99965312 0.90628467 1
C C9 1 -0.02309350 0.99020866 0.59681077 1
| -154.197128 |
3,566 | C-172971-7940-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48105000
_cell_length_b 3.68889000
_cell_length_c 4.21623000
_cell_angle_alpha 104.81132000
_cell_angle_beta 90.07225000
_cell_angle_gamma 70.37219000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98640973
_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 0.56866692 0.55323268 0.33672294 1
C C1 1 0.82942984 0.03719043 0.76515610 1
C C2 1 0.02915988 0.63955768 0.84086803 1
C C3 1 0.60794960 0.48218120 0.97151238 1
C C4 1 0.14685622 0.39700283 0.46786873 1
C C5 1 0.34916913 -0.00148682 0.54276002 1
| -154.308252 |
4,031 | C-9612-1722-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48528000
_cell_length_b 4.68058000
_cell_length_c 7.44424000
_cell_angle_alpha 141.39321000
_cell_angle_beta 120.06661000
_cell_angle_gamma 74.59600000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.47429839
_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 -0.01457451 0.56760352 -0.11611190 1
C C1 1 0.74702974 0.83989868 0.81524482 1
C C2 1 0.71221962 0.79177302 0.10974415 1
C C3 1 0.04420434 0.31149511 0.17090751 1
C C4 1 0.79536380 1.02983491 0.57778082 1
C C5 1 -0.26509136 0.28598214 0.28954903 1
C C6 1 0.06787760 0.80641321 0.35182676 1
C C7 1 1.03451067 0.75625391 0.64552331 1
| -154.368798 |
8,965 | C-157676-6832-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46281000
_cell_length_b 5.08260000
_cell_length_c 7.02607000
_cell_angle_alpha 105.86994000
_cell_angle_beta 100.09509000
_cell_angle_gamma 90.01807000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 83.17863695
_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 0.54475738 0.61973776 0.30038506 1
C C1 1 0.69157505 0.29691127 0.59882289 1
C C2 1 0.14086009 0.23618845 0.50012066 1
C C3 1 -0.04748198 0.90138571 0.11573981 1
C C4 1 0.35374655 0.48309087 0.91866567 1
C C5 1 0.20641528 0.78299164 0.62170402 1
C C6 1 0.86195766 0.02778854 0.93541259 1
C C7 1 0.79206937 0.49984460 0.79648930 1
C C8 1 0.76554428 -0.20627605 0.73971822 1
C C9 1 1.10643230 0.69739849 0.42193489 1
C C10 1 0.03211369 0.17479864 0.27690272 1
C C11 1 0.45136230 0.73036188 0.11325740 1
C C12 1 0.38443531 0.21297862 -0.01720568 1
C C13 1 0.50094151 0.30492437 0.21478143 1
| -154.29423 |
315 | C-170329-7952-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.80424000
_cell_length_b 4.04091000
_cell_length_c 4.82420000
_cell_angle_alpha 98.30683000
_cell_angle_beta 73.67103000
_cell_angle_gamma 61.05518000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.27071260
_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 0.44406148 0.36415110 0.20160048 1
C C1 1 0.38343079 0.42089385 0.70106893 1
C C2 1 0.00195342 0.80283004 0.70184185 1
C C3 1 0.04286717 0.76810534 0.39172417 1
C C4 1 0.66122343 0.14983972 0.39244508 1
C C5 1 0.60070521 0.20696126 0.89203939 1
| -154.101802 |
606 | C-145331-9653-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43154000
_cell_length_b 5.83747000
_cell_length_c 4.67572000
_cell_angle_alpha 65.61239000
_cell_angle_beta 75.98893000
_cell_angle_gamma 91.52528000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.04242543
_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 0.37086844 0.74719474 0.38612275 1
C C1 1 0.70440670 0.08090989 0.71934335 1
C C2 1 0.87083609 0.24724981 0.38614500 1
C C3 1 0.62072777 0.49729149 -0.11366023 1
C C4 1 0.20436862 0.58109123 0.71940592 1
C C5 1 -0.04568813 -0.16916557 0.21950791 1
C C6 1 0.12079997 0.99699349 0.88621904 1
C C7 1 0.45431214 0.33106451 0.21957705 1
| -154.464388 |
9,415 | C-126167-1633-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29110000
_cell_length_b 4.60696000
_cell_length_c 4.20345000
_cell_angle_alpha 86.28748000
_cell_angle_beta 59.71928000
_cell_angle_gamma 78.81831000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 70.34453655
_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 -0.10632084 0.80890904 0.23343655 1
C C1 1 0.23629281 0.85935539 0.88986528 1
C C2 1 0.61682316 0.39430999 0.77093588 1
C C3 1 0.60245526 0.74157191 0.22889576 1
C C4 1 -0.09729975 0.84242286 0.57733551 1
C C5 1 0.59316331 0.70919709 0.88497919 1
C C6 1 0.33045061 0.38973342 0.69527790 1
C C7 1 0.25975151 0.69096394 0.57240068 1
C C8 1 0.87925793 0.15653299 0.69164489 1
C C9 1 1.16565770 0.16095527 0.76714884 1
| -154.102212 |
4,503 | C-176656-6648-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45671000
_cell_length_b 3.96553000
_cell_length_c 6.97637000
_cell_angle_alpha 87.07296000
_cell_angle_beta 100.10550000
_cell_angle_gamma 89.98052000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 66.82022633
_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 0.00150849 0.79026881 0.92380280 1
C C1 1 0.71890944 0.82684926 0.35962519 1
C C2 1 0.34734271 0.47930020 0.61277230 1
C C3 1 0.82529451 0.67066329 0.57041461 1
C C4 1 0.54372997 0.70409720 1.00815609 1
C C5 1 0.15465778 0.32760826 0.23437488 1
C C6 1 0.90260157 0.97425467 0.72945207 1
C C7 1 0.38686837 0.17047751 0.69798341 1
C C8 1 0.19884277 0.01835368 0.31802156 1
C C9 1 0.63912009 0.52353924 0.20317679 1
| -154.234236 |
668 | C-13911-8164-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.70229000
_cell_length_b 4.19369000
_cell_length_c 5.21984000
_cell_angle_alpha 66.17583000
_cell_angle_beta 53.05761000
_cell_angle_gamma 89.73206000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.89232469
_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 0.77789950 0.93326156 0.32599463 1
C C1 1 0.77789713 0.26541667 0.32596431 1
C C2 1 0.44456380 0.59875000 0.65929764 1
C C3 1 0.44456617 0.26659490 0.65932796 1
C C4 1 0.11123046 0.93208334 -0.00736903 1
C C5 1 0.11123284 0.59992823 0.99266129 1
| -154.263742 |
9,601 | C-130538-6665-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42354000
_cell_length_b 4.19209000
_cell_length_c 4.20473000
_cell_angle_alpha 88.19998000
_cell_angle_beta 90.20398000
_cell_angle_gamma 89.61396000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.69643334
_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 0.31302250 0.21231419 0.51993935 1
C C1 1 0.31390583 0.61856508 0.92787984 1
C C2 1 0.81361801 0.05765563 0.48778550 1
C C3 1 0.31465066 0.55921079 0.58099910 1
C C4 1 0.81293970 0.71025065 0.42913262 1
C C5 1 0.81420851 0.64776806 0.08280629 1
| -154.279371 |
5,031 | C-73649-6461-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45697000
_cell_length_b 4.43156000
_cell_length_c 7.10882000
_cell_angle_alpha 117.16191000
_cell_angle_beta 109.92535000
_cell_angle_gamma 74.43221000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 64.15244478
_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 0.73078179 0.11675385 0.64609648 1
C C1 1 0.37386094 0.50131180 -0.01751694 1
C C2 1 0.77100671 0.44970685 0.85259950 1
C C3 1 0.95356898 0.83965296 0.72952090 1
C C4 1 0.54781393 0.72760123 0.76963260 1
C C5 1 0.47548626 0.72086716 0.19308098 1
C C6 1 0.12786836 0.06547680 0.51629342 1
C C7 1 0.02467362 0.84872165 0.30510095 1
| -154.125645 |
8,892 | C-53801-6753-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47562000
_cell_length_b 3.72193000
_cell_length_c 4.92087000
_cell_angle_alpha 67.71880000
_cell_angle_beta 59.79267000
_cell_angle_gamma 90.01578000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.20886017
_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 0.74501550 0.80003731 0.88086963 1
C C1 1 0.02363484 0.23519240 0.60251924 1
C C2 1 0.02277995 0.18846357 0.10338572 1
C C3 1 0.74464357 0.34537815 0.38152698 1
C C4 1 0.74510529 0.39172120 0.88095412 1
C C5 1 1.02256705 0.78013868 0.10322670 1
| -154.288807 |
1,650 | C-136208-4716-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44962000
_cell_length_b 5.54030000
_cell_length_c 7.00780000
_cell_angle_alpha 66.96333000
_cell_angle_beta 79.95874000
_cell_angle_gamma 90.02524000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 85.93444073
_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 0.81791674 0.07722753 0.77042902 1
C C1 1 0.26188278 0.40551449 0.88433277 1
C C2 1 0.85919255 0.85150714 0.69341507 1
C C3 1 0.93290897 0.29166377 0.54284963 1
C C4 1 0.26144189 0.10696834 0.88472590 1
C C5 1 -0.06685043 0.56129309 0.54225752 1
C C6 1 0.81823861 0.54923318 0.77040684 1
C C7 1 0.59780493 0.84608000 0.21198063 1
C C8 1 1.14883223 0.37463129 0.10738869 1
C C9 1 0.14882277 -0.08374733 0.10777770 1
C C10 1 0.43044711 0.92223492 0.55063128 1
C C11 1 0.59742405 0.33937153 0.21188203 1
C C12 1 0.48065106 0.72332653 0.44515442 1
C C13 1 0.48051693 0.22642071 0.44534248 1
| -154.318862 |
4,783 | C-170922-1203-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43235000
_cell_length_b 6.66193000
_cell_length_c 6.25139000
_cell_angle_alpha 122.26514000
_cell_angle_beta 82.66705000
_cell_angle_gamma 103.95475000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 83.12851342
_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 0.07346633 0.02909549 0.94872929 1
C C1 1 0.32515948 0.69113452 0.57178395 1
C C2 1 0.70243666 0.54620096 0.57127765 1
C C3 1 0.61800054 0.29522803 0.35164634 1
C C4 1 0.52272848 0.64001123 0.85070765 1
C C5 1 1.08431250 0.19668813 0.23167347 1
C C6 1 0.23011384 0.21765472 0.87564684 1
C C7 1 0.95301506 0.58373462 -0.05177144 1
C C8 1 0.41117222 0.72255466 0.35220365 1
C C9 1 0.50484062 0.87546796 0.85127609 1
C C10 1 0.79063388 0.32178709 0.87550630 1
C C11 1 -0.05399073 0.70149700 0.23219670 1
| -154.085186 |
4,459 | C-92144-1112-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46974000
_cell_length_b 3.23559000
_cell_length_c 5.18375000
_cell_angle_alpha 88.65673000
_cell_angle_beta 90.00121000
_cell_angle_gamma 112.47013000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 38.26644639
_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 0.94258321 0.89286393 0.56409299 1
C C1 1 0.43265123 0.87203772 0.15488145 1
C C2 1 0.61740824 0.24408185 0.93590525 1
C C3 1 0.25586997 0.52146717 0.93693469 1
C C4 1 -0.06704524 0.87225467 0.30770245 1
C C5 1 0.44269889 0.89346456 0.71681887 1
| -154.25741 |
2,674 | C-106837-6296-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43030000
_cell_length_b 3.95957000
_cell_length_c 6.24930000
_cell_angle_alpha 71.07166000
_cell_angle_beta 90.00137000
_cell_angle_gamma 89.99683000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.88476912
_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 0.29959598 0.61043596 0.55146768 1
C C1 1 0.79959598 0.36052254 0.30168469 1
C C2 1 0.79959598 0.52300720 0.46998474 1
C C3 1 0.29959598 1.11059908 0.05139052 1
C C4 1 0.79959598 0.02321578 0.96986769 1
C C5 1 -0.20040402 -0.13934401 0.80160147 1
C C6 1 0.29959598 0.77437619 0.71914584 1
C C7 1 0.29959598 0.27435227 0.21916967 1
| -154.471008 |
1,133 | C-184070-3159-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42891000
_cell_length_b 3.63611000
_cell_length_c 4.96164000
_cell_angle_alpha 95.31350000
_cell_angle_beta 102.02463000
_cell_angle_gamma 86.94615000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.64848125
_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 0.83042846 0.13949736 0.68317086 1
C C1 1 0.05162222 0.69476386 1.12661400 1
C C2 1 0.38488729 1.02800639 0.79316993 1
C C3 1 0.16387662 0.47300691 0.34998548 1
C C4 1 0.49712802 0.80626148 1.01654032 1
C C5 1 0.71830748 0.36146781 0.46000171 1
| -154.422387 |
626 | C-126167-1633-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44347000
_cell_length_b 4.24308000
_cell_length_c 6.35760000
_cell_angle_alpha 64.22555000
_cell_angle_beta 78.81956000
_cell_angle_gamma 73.26348000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.66194131
_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 0.83879946 0.90841104 0.42657433 1
C C1 1 0.58918244 1.00290695 0.83489141 1
C C2 1 0.66340023 0.28974418 0.39495357 1
C C3 1 0.14394484 0.47399471 0.24807236 1
C C4 1 0.97137237 0.86495801 0.20403979 1
C C5 1 0.45412029 1.04662421 0.05742500 1
C C6 1 -0.09718849 0.56972704 0.63629638 1
C C7 1 0.28246107 0.43739621 0.01378078 1
C C8 1 0.76390000 0.62167721 0.86667421 1
C C9 1 0.52382289 0.34147966 0.62575139 1
| -154.278593 |
4,865 | C-126189-1477-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.73719000
_cell_length_b 4.80133000
_cell_length_c 3.62032000
_cell_angle_alpha 112.03380000
_cell_angle_beta 89.92508000
_cell_angle_gamma 90.04211000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.10373150
_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 0.43703346 0.05240402 0.55888971 1
C C1 1 0.43719017 0.55299759 0.50100985 1
C C2 1 0.43724149 1.05252086 0.94031845 1
C C3 1 0.43745933 0.74345454 -0.09440255 1
C C4 1 0.43702668 0.24297594 0.34495790 1
C C5 1 0.43716257 0.74372134 0.28728813 1
| -154.080734 |
8,696 | C-92160-9421-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.73829000
_cell_length_b 3.62095000
_cell_length_c 4.80429000
_cell_angle_alpha 112.10015000
_cell_angle_beta 89.58458000
_cell_angle_gamma 90.78489000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.13139971
_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 0.61301886 0.65935756 0.78273698 1
C C1 1 0.61298609 0.60053495 0.28328545 1
C C2 1 0.61333748 0.25494742 0.59224624 1
C C3 1 0.61300252 -0.18531110 0.09279545 1
C C4 1 0.61311711 0.87319167 0.59209297 1
C C5 1 0.61296805 0.21917249 0.28325440 1
| -154.087662 |
1,915 | C-136239-2356-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59202000
_cell_length_b 3.59233000
_cell_length_c 5.36318000
_cell_angle_alpha 53.86981000
_cell_angle_beta 53.88746000
_cell_angle_gamma 40.54985000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.99663981
_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 0.54839551 -0.05116833 0.66460560 1
C C1 1 0.65482378 1.05434918 0.08297921 1
C C2 1 0.94259249 0.34268589 0.87688597 1
C C3 1 0.46644969 0.86640526 0.45898010 1
C C4 1 0.83672726 0.23668330 0.45877316 1
C C5 1 1.02513868 0.42481360 0.08287396 1
| -154.193668 |
559 | C-28228-7733-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49041000
_cell_length_b 4.00628000
_cell_length_c 6.74093000
_cell_angle_alpha 95.57401000
_cell_angle_beta 68.34243000
_cell_angle_gamma 89.99453000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 62.16572371
_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 -0.11683269 0.76430169 0.57901414 1
C C1 1 0.27481274 0.24731855 0.68967987 1
C C2 1 0.45337506 0.93031400 0.50883021 1
C C3 1 0.77194305 0.45468547 0.69269605 1
C C4 1 0.70517349 0.87391426 0.25602957 1
C C5 1 0.85038368 0.16216372 0.11116097 1
C C6 1 0.25252673 0.67857316 0.20851514 1
C C7 1 1.08461908 -0.00105366 0.87740095 1
C C8 1 0.64395609 0.80247379 0.81786677 1
C C9 1 0.31060557 0.35478562 0.15009472 1
| -154.119105 |
9,539 | C-113058-1288-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43149000
_cell_length_b 4.47495000
_cell_length_c 6.14607000
_cell_angle_alpha 70.06958000
_cell_angle_beta 81.84832000
_cell_angle_gamma 69.41060000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.83483308
_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 0.58937320 0.42288792 0.24000864 1
C C1 1 0.33935269 0.17297061 0.98995971 1
C C2 1 0.50595453 0.00604582 0.82415941 1
C C3 1 0.08919770 -0.07679816 0.73982634 1
C C4 1 0.75609890 0.25581894 0.07428933 1
C C5 1 0.00605586 0.50585036 0.32427403 1
C C6 1 0.25588048 0.75610378 0.57412863 1
C C7 1 0.83921334 0.67308993 0.48989560 1
| -154.460359 |
5,050 | C-184052-2353-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48707000
_cell_length_b 2.48761000
_cell_length_c 6.08886000
_cell_angle_alpha 90.00188000
_cell_angle_beta 90.00323000
_cell_angle_gamma 59.96540000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.61259813
_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 0.91612227 0.48330258 0.66221811 1
C C1 1 0.24982793 -0.18374444 0.99547623 1
C C2 1 0.24946488 0.81664518 0.24600274 1
C C3 1 0.58277040 0.15002682 0.57943509 1
C C4 1 0.91651190 0.48293953 0.91274462 1
C C5 1 0.58274064 1.14999705 0.32878576 1
| -154.540586 |
8,628 | C-134173-4385-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63237000
_cell_length_b 3.27187000
_cell_length_c 6.64256000
_cell_angle_alpha 88.85170000
_cell_angle_beta 72.55620000
_cell_angle_gamma 104.51392000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 72.52228901
_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 0.64895046 0.72956965 0.63747602 1
C C1 1 0.40208190 0.78517479 0.50364389 1
C C2 1 0.90238504 0.78528825 0.00359013 1
C C3 1 0.08194941 0.14687825 0.82306449 1
C C4 1 0.05841878 -0.00249244 0.60968843 1
C C5 1 0.58205559 0.14687398 0.32310323 1
C C6 1 0.55877432 -0.00238163 0.10968890 1
C C7 1 0.49008363 0.41327291 0.79609052 1
C C8 1 1.14938819 0.72950348 0.13735771 1
C C9 1 0.23937751 0.35847038 0.42878484 1
C C10 1 0.73939827 0.35859955 0.92879471 1
C C11 1 -0.00967550 0.41321654 0.29599882 1
| -154.205766 |
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