Unnamed: 0
int64 2
10.1k
| material_id
stringlengths 12
16
| cif
stringlengths 939
1.86k
| energy_per_atom
float64 -154.56
-154.07
|
|---|---|---|---|
2,222 | C-141016-4064-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.69527000
_cell_length_b 4.80962000
_cell_length_c 4.23923000
_cell_angle_alpha 109.63468000
_cell_angle_beta 121.57694000
_cell_angle_gamma 88.81378000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.26196032
_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 1.07026384 0.78159730 0.74833815 1
C C1 1 1.01286248 0.28277376 0.69052425 1
C C2 1 0.85850285 0.97364366 0.53545930 1
C C3 1 0.45248574 0.78122019 1.13059193 1
C C4 1 0.80160246 0.47485282 0.47756671 1
C C5 1 0.41923962 0.47505687 0.09524326 1
| -154.103468 |
5,570 | C-170908-5383-51 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45823000
_cell_length_b 4.44124000
_cell_length_c 6.43542000
_cell_angle_alpha 104.21987000
_cell_angle_beta 101.02322000
_cell_angle_gamma 105.55772000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 63.07577883
_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 0.64287841 0.67844323 0.80516272 1
C C1 1 0.74069686 0.66020574 1.01371231 1
C C2 1 0.21028451 0.06650860 0.54743959 1
C C3 1 0.80611885 0.22280339 0.58721057 1
C C4 1 0.37617997 0.61152519 0.32924481 1
C C5 1 0.28304928 0.63388747 0.12185060 1
C C6 1 -0.01564785 0.69750736 0.46254672 1
C C7 1 1.03457058 0.59189622 0.67203866 1
| -154.102876 |
5,572 | C-28248-2845-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42812000
_cell_length_b 5.40993000
_cell_length_c 5.36421000
_cell_angle_alpha 73.47801000
_cell_angle_beta 89.95614000
_cell_angle_gamma 77.18168000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 65.72449047
_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 0.46083591 0.24878022 0.36964268 1
C C1 1 1.19201489 0.79741001 0.78086683 1
C C2 1 -0.07152499 0.31769763 0.96477456 1
C C3 1 0.68754148 0.80602334 0.91083678 1
C C4 1 0.27962784 0.61802446 0.60349213 1
C C5 1 0.21744569 0.73825207 0.31606826 1
C C6 1 -0.04299560 0.25659721 0.50016778 1
C C7 1 0.69614558 0.78215142 0.18134795 1
C C8 1 0.86964614 0.43535407 0.67824826 1
C C9 1 0.44936516 0.27563838 0.09857726 1
| -154.183217 |
5,192 | C-152552-1045-53 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.64712000
_cell_length_b 4.31449000
_cell_length_c 3.39544000
_cell_angle_alpha 64.79848000
_cell_angle_beta 73.15173000
_cell_angle_gamma 63.04658000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.78024303
_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 0.65413073 0.98025092 0.22988573 1
C C1 1 0.98789894 0.31394620 0.56438005 1
C C2 1 0.98703637 0.64676000 0.23049639 1
C C3 1 0.32114433 0.64684348 0.89802348 1
C C4 1 0.65440797 0.31390144 -0.10125762 1
C C5 1 0.32103265 0.98006546 0.56508587 1
| -154.418188 |
3,743 | C-96707-5370-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46321000
_cell_length_b 3.38889000
_cell_length_c 5.83479000
_cell_angle_alpha 84.10672000
_cell_angle_beta 114.97691000
_cell_angle_gamma 111.28003000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.06696980
_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 0.92339738 0.11144952 0.32775340 1
C C1 1 0.59715416 0.40334992 0.85501643 1
C C2 1 -0.09478238 0.47099967 0.13030983 1
C C3 1 -0.37584036 0.65812571 0.25606438 1
C C4 1 0.95395124 0.36910191 0.72878575 1
C C5 1 0.64237927 0.29927786 0.45342002 1
| -154.163194 |
8,065 | C-9628-9669-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71592000
_cell_length_b 3.04966000
_cell_length_c 4.25500000
_cell_angle_alpha 73.11192000
_cell_angle_beta 83.18555000
_cell_angle_gamma 74.22267000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.29773542
_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 0.84908013 0.35120378 0.16771027 1
C C1 1 0.11120555 0.29744467 0.32941246 1
C C2 1 0.62600526 0.92040989 0.66680561 1
C C3 1 0.36976955 0.18878885 0.15413456 1
C C4 1 0.63329428 0.13414121 0.31555346 1
C C5 1 0.36773448 0.14240603 0.82957136 1
C C6 1 0.85474923 0.56699236 0.81686555 1
C C7 1 0.11199641 0.34637761 0.65305632 1
| -154.104738 |
5,405 | C-177256-4099-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42916000
_cell_length_b 4.37406000
_cell_length_c 6.88205000
_cell_angle_alpha 104.39576000
_cell_angle_beta 90.95030000
_cell_angle_gamma 55.51564000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.67153343
_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 0.20769400 1.06583755 0.10538903 1
C C1 1 0.54041203 0.23245882 0.18851310 1
C C2 1 0.20770412 0.56584029 0.85538730 1
C C3 1 0.20775267 0.56577945 0.35544029 1
C C4 1 0.54040005 0.23245913 0.68850947 1
C C5 1 0.54044625 0.73242399 0.43854336 1
C C6 1 0.54037333 0.73251140 0.93847195 1
C C7 1 1.20771985 0.06579727 0.60542591 1
| -154.437616 |
5,678 | C-73653-6772-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48805000
_cell_length_b 4.30365000
_cell_length_c 4.30351000
_cell_angle_alpha 80.41085000
_cell_angle_beta 106.78900000
_cell_angle_gamma 89.99850000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.44346824
_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 0.40877569 0.67798126 0.75055991 1
C C1 1 1.09687805 1.11518428 1.12567585 1
C C2 1 0.84699985 0.86516409 0.62568115 1
C C3 1 0.90877569 0.17798126 0.75055991 1
C C4 1 0.15865388 0.42800145 0.25055461 1
C C5 1 0.34699985 0.36516409 0.62568115 1
C C6 1 0.59687805 0.61518428 0.12567585 1
C C7 1 0.65865388 0.92800145 0.25055461 1
| -154.5418 |
3,260 | C-177222-86-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20707000
_cell_length_b 3.89008000
_cell_length_c 3.92641000
_cell_angle_alpha 76.80079000
_cell_angle_beta 111.08319000
_cell_angle_gamma 111.26772000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 55.51911495
_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 -0.12676000 0.30904785 0.26669479 1
C C1 1 0.37330304 0.05910066 0.51684010 1
C C2 1 0.04233466 0.06324232 0.52069019 1
C C3 1 0.54221536 0.81300935 0.77056832 1
C C4 1 1.04230101 0.56319848 1.02064654 1
C C5 1 0.87321346 0.80901527 0.76665887 1
C C6 1 0.37326796 0.55904813 1.01679551 1
C C7 1 0.54224532 0.31304844 0.27060539 1
| -154.41793 |
3,139 | C-90856-6520-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48455000
_cell_length_b 4.67570000
_cell_length_c 4.08750000
_cell_angle_alpha 96.70053000
_cell_angle_beta 90.00173000
_cell_angle_gamma 74.61096000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.44558624
_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 0.61501068 0.42509764 0.53876726 1
C C1 1 0.34482105 0.96640631 0.47693990 1
C C2 1 0.99847380 0.65347355 1.07144435 1
C C3 1 1.11594741 0.42272670 0.76541671 1
C C4 1 0.49975903 0.65161637 0.29657509 1
C C5 1 0.82826407 0.99458596 1.00298697 1
C C6 1 0.77316732 0.11030703 0.35882955 1
C C7 1 0.28596665 0.08067674 0.83244237 1
| -154.36527 |
9,725 | C-92107-2920-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43219000
_cell_length_b 3.98849000
_cell_length_c 5.61811000
_cell_angle_alpha 82.73270000
_cell_angle_beta 104.64660000
_cell_angle_gamma 124.30330000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.54883136
_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 0.35810364 0.43637466 0.95491951 1
C C1 1 0.35881527 0.10224108 0.62199273 1
C C2 1 0.69412953 0.99316233 0.50969989 1
C C3 1 0.69451672 0.66087465 0.17594503 1
C C4 1 0.69331831 0.32704989 0.84284424 1
C C5 1 0.35917103 0.77006858 0.28815301 1
| -154.452059 |
2,464 | C-193950-5354-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46182000
_cell_length_b 5.85484000
_cell_length_c 5.54701000
_cell_angle_alpha 119.12847000
_cell_angle_beta 77.21020000
_cell_angle_gamma 77.88084000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 63.19381790
_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 0.05446056 0.41018486 0.18757501 1
C C1 1 0.60045282 0.00823319 0.50322659 1
C C2 1 0.97373334 0.92381138 0.83452669 1
C C3 1 0.54622640 0.19110681 0.42550784 1
C C4 1 0.16132874 0.87262842 0.51546143 1
C C5 1 0.06515814 0.24870050 0.32896318 1
C C6 1 0.31180923 0.09554442 0.98666376 1
C C7 1 0.46549642 0.56607212 0.21035537 1
C C8 1 1.04797292 0.70248039 -0.09187373 1
C C9 1 0.54486751 0.63720562 -0.01975254 1
| -154.122375 |
6,341 | C-134166-3936-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50068000
_cell_length_b 4.68594000
_cell_length_c 6.35241000
_cell_angle_alpha 70.71017000
_cell_angle_beta 89.05245000
_cell_angle_gamma 77.46213000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.46023309
_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 -0.06334978 0.92441467 0.59828669 1
C C1 1 0.32311812 0.38483107 0.64594915 1
C C2 1 0.87404208 0.17563531 0.70999801 1
C C3 1 0.76396020 0.24306851 0.09563180 1
C C4 1 0.24268066 0.22727190 0.24188471 1
C C5 1 0.68833636 0.56077169 0.92093756 1
C C6 1 0.39505093 0.93419138 0.45031860 1
C C7 1 0.85821381 0.03459478 0.96113074 1
C C8 1 0.77678694 0.75196340 0.05262654 1
C C9 1 0.15914268 0.60553261 0.77601132 1
C C10 1 -0.04558521 0.55601016 0.28666484 1
C C11 1 0.41441721 0.60860231 0.40835455 1
| -154.077212 |
5,978 | C-40118-1783-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44243000
_cell_length_b 4.16579000
_cell_length_c 7.07172000
_cell_angle_alpha 84.30878000
_cell_angle_beta 69.93749000
_cell_angle_gamma 90.06763000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 67.20528443
_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 0.61012536 0.99705992 0.67930410 1
C C1 1 0.18933341 0.83644075 1.10135784 1
C C2 1 0.67186006 0.67900404 0.11884558 1
C C3 1 0.02592217 0.48267969 0.76270218 1
C C4 1 0.82211172 0.15427486 0.46526084 1
C C5 1 0.07981077 0.80022948 0.70931233 1
C C6 1 0.63927582 0.32350742 0.14752668 1
C C7 1 0.47375822 0.29307548 0.81408512 1
C C8 1 0.41782982 0.21630991 0.36955552 1
C C9 1 0.23528275 0.18941245 0.05106332 1
| -154.236628 |
8,038 | C-13671-2117-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28708000
_cell_length_b 3.28906000
_cell_length_c 4.79997000
_cell_angle_alpha 107.29814000
_cell_angle_beta 106.93272000
_cell_angle_gamma 98.14130000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.89585233
_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 0.20032092 1.03023935 0.20646907 1
C C1 1 0.20049214 0.53012909 0.70646656 1
C C2 1 0.56064718 0.84952396 0.38689790 1
C C3 1 0.56061449 0.39120066 0.20648255 1
C C4 1 0.56080403 0.89113554 0.70646655 1
C C5 1 0.92155125 0.71071392 0.88701798 1
C C6 1 0.92134245 0.21071228 0.38701158 1
C C7 1 0.56082575 0.34945890 -0.11306079 1
| -154.33645 |
5,752 | C-13931-57-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49061000
_cell_length_b 4.06006000
_cell_length_c 7.86821000
_cell_angle_alpha 80.21919000
_cell_angle_beta 90.01066000
_cell_angle_gamma 90.00236000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 78.40707507
_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 0.49568882 0.35831475 0.43975356 1
C C1 1 -0.00621875 0.26260469 0.82887473 1
C C2 1 0.49574370 0.99341881 0.48813483 1
C C3 1 -0.00427536 -0.13323767 0.41112888 1
C C4 1 0.99568673 0.51352862 0.49603535 1
C C5 1 0.99462770 0.29420565 0.16642727 1
C C6 1 0.99492035 -0.07012512 0.21465146 1
C C7 1 0.49377073 0.71372769 0.97388179 1
C C8 1 0.99468136 0.57539056 0.68144262 1
C C9 1 0.49485668 0.42184003 0.24333425 1
C C10 1 0.49474559 0.81118555 0.67846961 1
C C11 1 0.99372379 0.47790326 0.97693525 1
C C12 1 0.49378258 0.02685357 0.82695442 1
C C13 1 0.49473248 0.77503798 0.15873008 1
| -154.370232 |
4,135 | C-142763-5042-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42881000
_cell_length_b 5.66218000
_cell_length_c 6.53507000
_cell_angle_alpha 107.20139000
_cell_angle_beta 89.40127000
_cell_angle_gamma 91.36683000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 85.82776490
_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 0.35713145 0.80966062 0.35599638 1
C C1 1 0.35616506 0.47571747 0.68935864 1
C C2 1 0.35716306 1.03519400 0.79925018 1
C C3 1 0.35671451 0.14526681 1.02186515 1
C C4 1 -0.14314503 0.64433669 0.02226644 1
C C5 1 0.85639711 0.53399322 0.79975297 1
C C6 1 0.85722443 0.86765641 0.46633443 1
C C7 1 0.35682330 0.70001369 0.13349057 1
C C8 1 0.85622931 0.31096547 0.35605657 1
C C9 1 0.85721711 0.97855416 0.68873514 1
C C10 1 0.35602623 0.36610196 0.46669376 1
C C11 1 -0.14333534 0.20232600 1.13317209 1
| -154.450408 |
4,037 | C-40108-9032-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46389000
_cell_length_b 3.39243000
_cell_length_c 5.28986000
_cell_angle_alpha 86.23034000
_cell_angle_beta 90.02445000
_cell_angle_gamma 68.74219000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.10403106
_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 -0.01085220 -0.06520723 0.67858558 1
C C1 1 0.95643981 1.00250656 0.40279830 1
C C2 1 0.53996021 0.83493134 0.08061554 1
C C3 1 0.13451197 0.64542021 0.20606996 1
C C4 1 0.50492813 0.90436220 0.80484363 1
C C5 1 0.36233818 0.19137961 0.27704088 1
| -154.163575 |
6,075 | C-40110-5594-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48550000
_cell_length_b 4.00410000
_cell_length_c 6.15628000
_cell_angle_alpha 90.34487000
_cell_angle_beta 101.66099000
_cell_angle_gamma 89.99733000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 60.00280055
_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 0.44121967 0.64505821 0.81501815 1
C C1 1 0.55782724 0.77255215 1.05387068 1
C C2 1 1.12341233 0.66796105 0.18403230 1
C C3 1 0.12366143 0.26235633 0.18479596 1
C C4 1 -0.11035216 0.14299152 0.71391974 1
C C5 1 0.21383414 0.96589508 0.36308641 1
C C6 1 0.55813453 0.15419410 0.05478956 1
C C7 1 0.88854029 0.77429147 0.71120178 1
C C8 1 0.44170331 0.27444697 0.81655831 1
C C9 1 0.78199861 0.96406623 0.49770892 1
| -154.255135 |
2,064 | C-184044-1943-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46051000
_cell_length_b 3.35678000
_cell_length_c 4.48542000
_cell_angle_alpha 68.04441000
_cell_angle_beta 95.27591000
_cell_angle_gamma 104.47702000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 33.26892924
_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 0.67989308 0.18273299 1.00442515 1
C C1 1 0.38579753 0.76686738 0.56030052 1
C C2 1 0.17996523 0.28766924 0.79375645 1
C C3 1 0.46741947 0.70216742 0.23753521 1
C C4 1 0.96721144 1.04020950 0.56054572 1
C C5 1 0.88600616 0.42859007 0.23768616 1
| -154.201911 |
2,585 | C-90819-6500-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43795000
_cell_length_b 3.48333000
_cell_length_c 9.82061000
_cell_angle_alpha 78.96836000
_cell_angle_beta 82.82501000
_cell_angle_gamma 69.53189000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 76.53682925
_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 0.22585657 0.56871265 0.97774165 1
C C1 1 0.75941173 0.95598767 0.52901517 1
C C2 1 0.34410375 0.48159668 0.83360293 1
C C3 1 0.55958498 0.06261817 0.81763375 1
C C4 1 0.17994921 0.89220523 0.75154322 1
C C5 1 0.23265514 0.93787292 0.59920276 1
C C6 1 1.00802306 0.70200943 0.27753072 1
C C7 1 0.80366713 0.01034871 0.37847335 1
C C8 1 0.38410797 0.15510834 0.07378384 1
C C9 1 0.59344279 0.83771068 -0.02531905 1
C C10 1 0.86178540 0.11036662 0.16360079 1
C C11 1 0.65327637 0.41180939 0.27723407 1
| -154.103501 |
9,781 | C-107744-9535-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43106000
_cell_length_b 4.20441000
_cell_length_c 5.84975000
_cell_angle_alpha 106.53045000
_cell_angle_beta 94.13464000
_cell_angle_gamma 90.09883000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.15540331
_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 0.53762285 0.10341496 0.26319876 1
C C1 1 0.19437749 0.13984735 0.76208627 1
C C2 1 0.69440694 0.63978684 0.76207552 1
C C3 1 0.19410260 0.80645535 0.76068106 1
C C4 1 0.53740077 0.77014531 0.26200253 1
C C5 1 1.03734665 0.27014803 0.26202225 1
C C6 1 1.03757987 0.60338077 0.26317846 1
C C7 1 0.69413603 0.30648569 0.76068905 1
| -154.447373 |
1,707 | C-170908-5383-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79813000
_cell_length_b 4.78363000
_cell_length_c 4.75375000
_cell_angle_alpha 68.83880000
_cell_angle_beta 71.43390000
_cell_angle_gamma 97.20177000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 73.47922069
_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 0.28393968 0.80928036 0.68424020 1
C C1 1 -0.05984209 0.76947489 0.34297908 1
C C2 1 0.61741479 0.92212491 0.33733849 1
C C3 1 0.96690879 0.61180301 0.67279734 1
C C4 1 0.39384064 0.89066832 0.12242940 1
C C5 1 0.30906266 0.15866169 0.61795570 1
C C6 1 0.33381655 0.63801553 0.99954114 1
C C7 1 0.98551138 0.31102550 0.61276884 1
C C8 1 0.64169822 0.27136157 0.27139371 1
C C9 1 0.59161279 0.44276163 0.95591390 1
C C10 1 0.53169788 0.19003401 0.83308420 1
C C11 1 0.95940411 0.46869878 0.28263890 1
| -154.103449 |
4,088 | C-53832-8784-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47244000
_cell_length_b 3.23297000
_cell_length_c 6.08959000
_cell_angle_alpha 68.36585000
_cell_angle_beta 101.70751000
_cell_angle_gamma 67.47017000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 38.28912775
_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 0.69699448 0.66297230 0.26469940 1
C C1 1 0.43596041 0.92802187 0.00861263 1
C C2 1 0.74464569 0.93493593 0.63658678 1
C C3 1 0.34948882 0.51068443 0.41758684 1
C C4 1 0.78216962 0.08128587 0.85543848 1
C C5 1 0.38422388 0.65693989 0.63683798 1
| -154.252351 |
1,591 | C-184054-4402-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31768000
_cell_length_b 3.51590000
_cell_length_c 3.51750000
_cell_angle_alpha 60.00187000
_cell_angle_beta 89.99624000
_cell_angle_gamma 89.99713000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.53398618
_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 0.08636937 0.59743050 0.48257605 1
C C1 1 0.41847878 0.90219458 0.17853633 1
C C2 1 0.58640342 1.13353395 0.41048816 1
C C3 1 0.25273513 0.13394296 0.71457204 1
C C4 1 -0.08142513 0.82895696 0.71454275 1
C C5 1 0.75269602 0.59711146 0.17870077 1
| -154.409395 |
6,500 | C-56512-1663-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45691000
_cell_length_b 3.66310000
_cell_length_c 6.48371000
_cell_angle_alpha 100.57705000
_cell_angle_beta 79.07813000
_cell_angle_gamma 70.36439000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 51.99992629
_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 -0.01541066 0.55036016 0.67858811 1
C C1 1 0.44941585 0.70867072 0.59231498 1
C C2 1 0.58198558 0.67895948 0.35693147 1
C C3 1 0.15505379 0.15489144 0.73153685 1
C C4 1 0.56337426 0.19217653 0.87741435 1
C C5 1 0.73729553 0.79561973 -0.07188922 1
C C6 1 0.27275727 0.63845071 1.01535467 1
C C7 1 1.13391617 0.67880302 0.25224028 1
| -154.281828 |
4,038 | C-148230-2113-66 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47985000
_cell_length_b 6.53022000
_cell_length_c 6.52775000
_cell_angle_alpha 61.92899000
_cell_angle_beta 79.03691000
_cell_angle_gamma 79.04004000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 90.95268532
_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 0.64244312 0.45911527 0.81211841 1
C C1 1 -0.01071817 0.81591170 0.76065122 1
C C2 1 0.96724453 0.49782456 0.12715649 1
C C3 1 0.54644971 0.13548494 0.33104828 1
C C4 1 -0.03271740 0.18197444 0.44271949 1
C C5 1 0.22146957 0.78894217 0.32438885 1
C C6 1 0.87623904 0.43148835 0.37679078 1
C C7 1 0.56748585 0.73792233 0.68209613 1
C C8 1 0.54637563 0.38733352 0.07946809 1
C C9 1 0.31834391 0.11279847 0.80542108 1
C C10 1 0.89759117 0.74989850 1.01037060 1
C C11 1 0.31846226 0.86101407 1.05714566 1
C C12 1 0.29764636 0.51023441 0.45437849 1
C C13 1 0.22143244 0.38036950 0.73301536 1
C C14 1 0.64251699 0.86779336 0.40330523 1
C C15 1 -0.10251660 0.06547053 0.69487145 1
| -154.300906 |
9,542 | C-96694-8817-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49176000
_cell_length_b 3.59458000
_cell_length_c 4.35057000
_cell_angle_alpha 84.29397000
_cell_angle_beta 73.36851000
_cell_angle_gamma 69.69185000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.01624467
_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 0.84508592 0.82039638 0.38069744 1
C C1 1 0.76319909 0.19122734 0.17514587 1
C C2 1 0.36904940 0.19132518 -0.03731082 1
C C3 1 0.65593738 0.82063625 0.75718872 1
C C4 1 0.28610347 0.56183653 0.75707076 1
C C5 1 0.47373844 0.56179923 0.38091563 1
| -154.196018 |
8,289 | C-92146-6335-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51562000
_cell_length_b 3.51707000
_cell_length_c 3.31877000
_cell_angle_alpha 90.02981000
_cell_angle_beta 89.99527000
_cell_angle_gamma 120.00031000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.53769873
_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 0.69156986 0.27528818 0.51119140 1
C C1 1 1.15532200 0.20287042 0.01104009 1
C C2 1 0.38701076 -0.02906885 0.84373023 1
C C3 1 0.46047470 0.50767900 0.34377613 1
C C4 1 0.69168199 0.97104260 0.17646150 1
C C5 1 0.15530649 0.50740374 0.67657744 1
| -154.409479 |
823 | C-92158-6662-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48739000
_cell_length_b 3.51629000
_cell_length_c 4.30443000
_cell_angle_alpha 65.89491000
_cell_angle_beta 73.19487000
_cell_angle_gamma 90.00362000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.59551831
_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 0.09162710 0.20488596 0.63347595 1
C C1 1 0.75872083 0.87153831 0.30014887 1
C C2 1 0.92503643 0.28868735 0.96657059 1
C C3 1 0.42499788 0.53821143 0.96681640 1
C C4 1 0.59165729 0.95536280 0.63323581 1
C C5 1 0.25889858 0.62204055 0.29987849 1
| -154.543373 |
1,067 | C-96688-5216-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49160000
_cell_length_b 4.35459000
_cell_length_c 3.59461000
_cell_angle_alpha 84.29172000
_cell_angle_beta 69.66729000
_cell_angle_gamma 73.38484000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.04406123
_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 0.70206411 0.59360877 0.24173777 1
C C1 1 1.07162990 0.59380301 0.50100657 1
C C2 1 0.99015133 0.38790160 -0.12918115 1
C C3 1 0.59721613 0.17542866 0.87058657 1
C C4 1 0.88425039 -0.03028418 0.50087367 1
C C5 1 -0.48510776 0.96963904 0.24161747 1
| -154.199081 |
5,101 | C-92146-6335-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.89155000
_cell_length_b 4.20187000
_cell_length_c 4.55898000
_cell_angle_alpha 103.05848000
_cell_angle_beta 115.82116000
_cell_angle_gamma 112.01070000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.89232266
_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 0.36403069 0.87216226 0.39513840 1
C C1 1 1.03072956 0.20552493 0.06179981 1
C C2 1 0.70168404 0.20675253 0.72805407 1
C C3 1 0.03502006 0.87344103 0.06136300 1
C C4 1 0.36812539 0.54003332 0.39470100 1
C C5 1 0.69768955 0.53892983 0.72845411 1
| -154.34254 |
9,893 | C-53799-3713-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48783000
_cell_length_b 2.48793000
_cell_length_c 6.57700000
_cell_angle_alpha 112.25388000
_cell_angle_beta 100.93802000
_cell_angle_gamma 59.97944000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.62200795
_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 0.87719380 0.27752200 0.83268318 1
C C1 1 0.21057899 0.69445654 0.91629363 1
C C2 1 0.87744440 1.02792530 0.58242243 1
C C3 1 0.21071896 0.94510452 0.16650950 1
C C4 1 0.54416832 0.36142797 0.24944336 1
C C5 1 0.54402093 0.61160898 0.49939149 1
| -154.544071 |
5,309 | C-142740-3180-51 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43215000
_cell_length_b 4.20167000
_cell_length_c 6.18343000
_cell_angle_alpha 112.01412000
_cell_angle_beta 100.42183000
_cell_angle_gamma 89.96313000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.45905820
_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 0.28867422 0.38909172 0.98527578 1
C C1 1 0.28857024 0.72188414 0.98527370 1
C C2 1 0.53588490 0.33938464 0.48549601 1
C C3 1 0.03578085 0.17218438 0.48551111 1
C C4 1 -0.21132966 0.88909861 -0.01473593 1
C C5 1 0.78855860 0.22187593 0.98527836 1
C C6 1 0.03584490 0.83937728 0.48548317 1
C C7 1 0.53576634 0.67218309 0.48551340 1
| -154.459061 |
8,738 | C-106067-9179-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09554000
_cell_length_b 6.71858000
_cell_length_c 5.74822000
_cell_angle_alpha 63.22374000
_cell_angle_beta 84.29639000
_cell_angle_gamma 58.34823000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 118.23477988
_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 0.51003737 0.64829866 1.19115128 1
C C1 1 0.78099024 0.92601762 0.13639652 1
C C2 1 0.95625006 0.23455712 0.57575845 1
C C3 1 -0.14564221 0.48327297 1.08416781 1
C C4 1 0.45447135 0.29450286 0.27304277 1
C C5 1 0.52635513 0.40193852 0.43791011 1
C C6 1 0.16402087 0.54695303 0.02028615 1
C C7 1 1.10984806 0.78584053 1.02405206 1
C C8 1 0.78174789 0.37627405 0.91915252 1
C C9 1 0.22128256 0.82188721 0.61135087 1
C C10 1 0.03187550 0.34729673 0.71548546 1
C C11 1 0.79831509 0.12990600 0.16543781 1
C C12 1 0.35236447 0.54329343 0.78150165 1
C C13 1 1.08651101 -0.04385746 0.74560556 1
C C14 1 0.27617794 0.43079368 0.64179396 1
C C15 1 0.14466655 0.23086513 0.33678673 1
C C16 1 0.52671824 0.85257760 0.21980517 1
C C17 1 0.19839947 0.99219382 0.33263920 1
| -154.176453 |
2,652 | C-134187-5202-62 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04016000
_cell_length_b 3.76043000
_cell_length_c 5.98401000
_cell_angle_alpha 78.75669000
_cell_angle_beta 110.45593000
_cell_angle_gamma 112.78632000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.95379136
_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 0.55514794 0.52666938 0.62272950 1
C C1 1 0.92411353 0.70509717 0.00383403 1
C C2 1 0.32318778 0.39528387 0.39237074 1
C C3 1 0.17210935 0.70785630 0.24397803 1
C C4 1 0.55105436 0.88890903 0.62313084 1
C C5 1 0.77589795 0.01837658 0.85402630 1
C C6 1 0.32615016 0.02168150 0.39222759 1
C C7 1 0.77293593 0.39206396 0.85424755 1
| -154.076896 |
3,177 | C-176677-5553-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39458000
_cell_length_b 3.86236000
_cell_length_c 5.30851000
_cell_angle_alpha 73.06976000
_cell_angle_beta 63.96963000
_cell_angle_gamma 82.08765000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 59.82577228
_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 0.18788899 0.46167498 0.17803335 1
C C1 1 0.28194562 0.36599593 0.89627641 1
C C2 1 0.77143177 0.95061446 0.61226641 1
C C3 1 0.50442585 0.22662803 0.27832405 1
C C4 1 0.22120743 0.83454871 0.14987464 1
C C5 1 0.61593327 0.03252874 0.90003320 1
C C6 1 0.89551226 1.10885344 0.03231817 1
C C7 1 0.49029395 0.62968353 0.59765648 1
C C8 1 0.72964282 0.34020994 0.42184429 1
C C9 1 0.23909643 0.88377023 0.43465051 1
| -154.08096 |
10,023 | C-57156-2568-56 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48782000
_cell_length_b 3.51748000
_cell_length_c 7.46426000
_cell_angle_alpha 76.34201000
_cell_angle_beta 70.51600000
_cell_angle_gamma 44.97124000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.52048367
_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 -0.20878454 0.70817380 -0.02958208 1
C C1 1 0.66552904 0.20842794 0.59560575 1
C C2 1 1.16589411 0.20792933 0.09557971 1
C C3 1 0.54094333 1.20850153 0.22041917 1
C C4 1 1.41585673 -0.29204373 0.84559207 1
C C5 1 0.04113553 0.20839219 0.72043837 1
C C6 1 -0.08446122 0.70835794 0.34559473 1
C C7 1 0.29071872 0.70880151 0.47044029 1
| -154.554734 |
1,108 | C-130546-1595-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43083000
_cell_length_b 3.24104000
_cell_length_c 6.02795000
_cell_angle_alpha 81.74248000
_cell_angle_beta 90.13257000
_cell_angle_gamma 68.15779000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.54401614
_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 0.58435027 0.57087240 0.60482138 1
C C1 1 0.91906464 0.90124000 0.27099605 1
C C2 1 0.80826204 0.11975528 0.04858958 1
C C3 1 0.14052701 0.45720386 0.71585065 1
C C4 1 0.25204241 0.23304409 0.93744265 1
C C5 1 0.47493674 0.78902618 0.38233539 1
| -154.470433 |
8,766 | C-142742-7620-57 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44242000
_cell_length_b 4.19693000
_cell_length_c 6.49872000
_cell_angle_alpha 108.66512000
_cell_angle_beta 79.26352000
_cell_angle_gamma 90.04813000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 61.88396206
_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 0.78987138 0.74899863 0.83205844 1
C C1 1 0.64891715 0.19405633 0.11491652 1
C C2 1 1.09602145 0.18862240 0.22143611 1
C C3 1 0.43814912 0.14367825 0.53773628 1
C C4 1 0.31483677 0.22254646 0.78166930 1
C C5 1 0.29499750 0.58724527 0.82248136 1
C C6 1 0.77144570 0.11293657 0.87070330 1
C C7 1 0.99117584 0.14951580 0.43123359 1
| -154.22431 |
1,614 | C-28264-8801-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42920000
_cell_length_b 6.12013000
_cell_length_c 4.23228000
_cell_angle_alpha 127.56324000
_cell_angle_beta 90.01969000
_cell_angle_gamma 113.33283000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.19654069
_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 0.60427580 0.89526893 0.55438518 1
C C1 1 1.11800835 0.91072853 0.41225578 1
C C2 1 0.53250516 0.32408084 0.41237127 1
C C3 1 0.54144285 0.83404265 0.84576956 1
C C4 1 0.18840248 0.48159383 0.55361005 1
C C5 1 0.17910556 -0.02843779 0.12054305 1
| -154.265231 |
84 | C-27817-3201-54 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44182000
_cell_length_b 6.44916000
_cell_length_c 12.09316000
_cell_angle_alpha 121.09899000
_cell_angle_beta 86.40685000
_cell_angle_gamma 85.63489000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C24
_cell_volume 161.43150693
_cell_formula_units_Z 24
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.70301974 0.07546852 0.74310599 1
C C1 1 0.30438239 0.50069207 0.48812786 1
C C2 1 0.38621807 0.15623175 0.10161444 1
C C3 1 0.26624173 0.02986175 0.55896081 1
C C4 1 0.82993925 0.47444354 0.42285025 1
C C5 1 1.17235273 0.11308642 0.81815378 1
C C6 1 0.74027901 0.05644220 0.62428578 1
C C7 1 -0.07049285 0.73380276 0.21269428 1
C C8 1 0.24705388 0.58698403 0.62133904 1
C C9 1 1.09309085 0.95663634 0.88154002 1
C C10 1 0.67609511 0.38275564 1.02073704 1
C C11 1 0.47955141 0.57328917 0.16492837 1
C C12 1 0.18803112 0.37364449 0.94462892 1
C C13 1 0.19435604 0.54754140 0.90091387 1
C C14 1 0.71132348 0.65763782 0.68917796 1
C C15 1 0.32411462 0.94298544 0.42569817 1
C C16 1 0.86092107 0.87186475 0.35771541 1
C C17 1 0.89039236 0.90900547 0.16842078 1
C C18 1 0.38178982 0.98181128 0.14507041 1
C C19 1 0.68544975 0.62068758 0.87776156 1
C C20 1 0.87030450 0.45469059 0.30370283 1
C C21 1 0.40066372 0.41666010 0.22846518 1
C C22 1 0.64332078 0.79628145 0.83394755 1
C C23 1 0.89712931 0.14759645 0.02564633 1
| -154.243565 |
7,126 | C-176689-6597-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47577000
_cell_length_b 3.72275000
_cell_length_c 4.91621000
_cell_angle_alpha 67.75039000
_cell_angle_beta 59.76601000
_cell_angle_gamma 89.98742000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.19038038
_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 0.28023813 0.35392133 0.38452117 1
C C1 1 0.28004206 -0.10036004 -0.11474565 1
C C2 1 0.00199810 0.51095801 0.66245682 1
C C3 1 1.00265212 -0.08110187 0.66252846 1
C C4 1 1.00154135 0.46492216 0.16330312 1
C C5 1 0.27930114 0.30748903 0.88548068 1
| -154.288761 |
1,020 | C-106851-9046-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.54279000
_cell_length_b 4.97729000
_cell_length_c 5.27688000
_cell_angle_alpha 62.01611000
_cell_angle_beta 76.21027000
_cell_angle_gamma 58.98121000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 50.54241497
_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 0.42783626 0.09063694 0.84126445 1
C C1 1 0.27795669 0.52476343 0.27752231 1
C C2 1 0.90576574 0.89707616 0.27752209 1
C C3 1 0.90801534 0.46716958 0.13022400 1
C C4 1 0.27256156 0.10208401 0.13026596 1
C C5 1 0.25354567 0.38996539 0.59800159 1
C C6 1 0.75060740 0.76778599 0.84131642 1
C C7 1 -0.06828236 0.71170650 0.59804859 1
| -154.109884 |
4,672 | C-106096-2640-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66741000
_cell_length_b 4.79775000
_cell_length_c 6.13086000
_cell_angle_alpha 66.48103000
_cell_angle_beta 100.07472000
_cell_angle_gamma 75.44224000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 115.83485671
_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 0.94835586 0.20078841 1.20560010 1
C C1 1 0.40084728 0.95206488 0.17183621 1
C C2 1 0.69409829 0.82159755 0.12604942 1
C C3 1 0.44853733 0.58572389 0.56847839 1
C C4 1 0.94728508 0.91515606 0.20688784 1
C C5 1 0.27275601 0.94271300 0.76003441 1
C C6 1 0.44327726 0.91854113 0.56630370 1
C C7 1 0.27435606 0.69703921 0.29038756 1
C C8 1 0.29466403 0.16416682 0.28724776 1
C C9 1 0.78094450 0.86890054 0.64933378 1
C C10 1 0.36865305 0.46450717 0.19517686 1
C C11 1 -0.07552274 0.07977339 0.67334845 1
C C12 1 0.96238433 0.56544578 0.68695158 1
C C13 1 0.78560145 0.39094768 0.64157375 1
C C14 1 0.40171327 0.08107400 0.91120123 1
C C15 1 0.38551647 0.59060798 0.93822944 1
C C16 1 0.68502140 0.49088487 1.13676838 1
C C17 1 0.31060716 0.43728163 0.77818224 1
| -154.118056 |
8,499 | C-113039-2678-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47801000
_cell_length_b 4.28744000
_cell_length_c 6.77973000
_cell_angle_alpha 102.16497000
_cell_angle_beta 111.42050000
_cell_angle_gamma 90.00018000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 65.31400109
_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 0.18598906 0.84963861 0.81833293 1
C C1 1 0.51712842 0.62571838 0.14918728 1
C C2 1 1.01578644 0.12563785 0.14903245 1
C C3 1 0.43572451 0.26538462 0.56749488 1
C C4 1 0.68688662 0.34967502 0.81839035 1
C C5 1 0.85142839 0.40362825 0.48339816 1
C C6 1 0.35208920 -0.09634396 0.48351749 1
C C7 1 0.10063241 0.81992846 0.23268131 1
C C8 1 0.76920373 0.04406115 -0.09826170 1
C C9 1 0.59934587 0.31990938 0.23251366 1
C C10 1 0.93596040 0.76538237 0.56757029 1
C C11 1 0.27039675 0.54412857 -0.09812041 1
| -154.532104 |
1,892 | C-130507-2037-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89840000
_cell_length_b 4.08108000
_cell_length_c 4.24487000
_cell_angle_alpha 72.51111000
_cell_angle_beta 70.76914000
_cell_angle_gamma 69.53446000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.41509373
_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 0.13802234 0.59155054 1.03537740 1
C C1 1 0.71878533 0.86099414 0.11482198 1
C C2 1 0.12814018 0.65965769 0.37519866 1
C C3 1 0.71659113 0.25154632 0.53516598 1
C C4 1 0.48737860 0.63721525 0.42290801 1
C C5 1 0.90002722 0.04514739 0.26240381 1
C C6 1 0.47744370 0.70545935 0.76265722 1
C C7 1 -0.10267914 0.43591979 0.68288727 1
C C8 1 0.11395437 0.26342404 -0.03782139 1
C C9 1 0.50280728 1.03343849 0.83548966 1
| -154.146074 |
6,246 | C-126159-6870-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48782000
_cell_length_b 4.29160000
_cell_length_c 6.82703000
_cell_angle_alpha 73.31763000
_cell_angle_beta 101.57619000
_cell_angle_gamma 90.00405000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 68.27349490
_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 0.88739694 0.35830673 0.13578839 1
C C1 1 0.69098620 0.76348923 0.67510116 1
C C2 1 0.69154372 1.11152060 0.67590018 1
C C3 1 0.36876798 0.54382741 0.10079457 1
C C4 1 0.00512754 0.08859178 0.34600170 1
C C5 1 -0.11320277 0.01038205 0.13451770 1
C C6 1 0.20958009 0.57802894 0.70960939 1
C C7 1 0.36909390 0.85572796 0.10152435 1
C C8 1 0.20920279 0.26647801 0.70844267 1
C C9 1 0.57067751 0.03259760 0.46454419 1
| -154.10899 |
1,435 | C-72710-1910-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.23517000
_cell_length_b 4.22000000
_cell_length_c 4.31761000
_cell_angle_alpha 129.72291000
_cell_angle_beta 102.20724000
_cell_angle_gamma 79.42602000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.22086236
_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 0.56277330 0.46783179 0.83899968 1
C C1 1 0.06461297 0.52625231 0.39806417 1
C C2 1 0.25407404 0.73956130 0.80442995 1
C C3 1 0.75359120 0.68078710 0.24535717 1
C C4 1 0.25365204 0.12037418 0.18525157 1
C C5 1 0.56276805 0.08625451 0.45855535 1
| -154.124931 |
4,109 | C-189724-308-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48772000
_cell_length_b 4.06032000
_cell_length_c 6.49392000
_cell_angle_alpha 71.97693000
_cell_angle_beta 78.93857000
_cell_angle_gamma 89.98866000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 61.09413579
_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 0.21719856 0.66923103 0.77283339 1
C C1 1 0.76430706 0.57968121 0.68022731 1
C C2 1 0.21750294 0.03739817 0.77196731 1
C C3 1 0.44044150 0.57593708 0.33192412 1
C C4 1 0.53029540 0.96512741 0.15287765 1
C C5 1 0.87329369 0.50915114 0.46468677 1
C C6 1 0.09156746 0.53651286 0.02972834 1
C C7 1 0.76488144 0.21935456 0.67867424 1
C C8 1 0.53027773 0.36679418 0.15298324 1
C C9 1 1.09168872 0.91664727 0.02937222 1
| -154.141563 |
9,396 | C-41273-2006-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28384000
_cell_length_b 5.17315000
_cell_length_c 4.43467000
_cell_angle_alpha 80.37293000
_cell_angle_beta 96.71326000
_cell_angle_gamma 121.49805000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 63.29152976
_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 0.89845466 0.14879675 0.28692240 1
C C1 1 0.76108166 0.53985262 0.93392028 1
C C2 1 0.62579233 0.22300818 0.01335681 1
C C3 1 0.06273057 0.65892755 0.44696720 1
C C4 1 0.66163321 0.61809676 0.61597667 1
C C5 1 0.96292527 0.73746158 0.13006549 1
C C6 1 0.59007160 0.89413499 0.54258327 1
C C7 1 1.09926351 1.05411435 0.05153205 1
C C8 1 0.13489135 0.38326321 0.52102772 1
C C9 1 0.82696763 0.12881851 0.77669509 1
| -154.086398 |
1,109 | C-47636-5638-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16750000
_cell_length_b 3.31367000
_cell_length_c 5.73037000
_cell_angle_alpha 80.36612000
_cell_angle_beta 76.79545000
_cell_angle_gamma 76.70125000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 74.42407767
_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 0.61913080 0.39902761 0.17564724 1
C C1 1 0.22532974 0.93673279 0.71522416 1
C C2 1 0.16663454 0.20950258 0.91719411 1
C C3 1 0.92200727 0.03880583 0.14330250 1
C C4 1 0.18620324 -0.02857437 0.29679447 1
C C5 1 0.52159614 0.65593501 0.58828789 1
C C6 1 0.83166603 0.52585948 0.62447263 1
C C7 1 0.73360036 0.78178996 0.03949492 1
C C8 1 0.12768148 0.24313957 0.49897423 1
C C9 1 0.38092869 0.54004373 0.39707668 1
C C10 1 0.43048217 0.14204771 0.07177906 1
C C11 1 0.97166424 0.64074060 0.81689641 1
| -154.112719 |
8,516 | C-90811-1769-62 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48745000
_cell_length_b 4.06075000
_cell_length_c 4.69747000
_cell_angle_alpha 105.94428000
_cell_angle_beta 90.00610000
_cell_angle_gamma 89.99879000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.62334749
_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 0.59718041 0.96358092 0.91317602 1
C C1 1 0.09718665 0.18790103 0.90745460 1
C C2 1 0.59709677 0.76274287 0.13901033 1
C C3 1 0.59731842 0.72939064 0.60546336 1
C C4 1 0.09734363 0.52819921 0.49065614 1
C C5 1 0.09733796 0.19539803 0.56073626 1
C C6 1 1.09719036 0.53639187 0.14361174 1
C C7 1 0.59723230 -0.00573068 0.44603235 1
| -154.364291 |
7,893 | C-73615-2489-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45563000
_cell_length_b 3.66502000
_cell_length_c 6.40823000
_cell_angle_alpha 95.10563000
_cell_angle_beta 101.00016000
_cell_angle_gamma 109.63187000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 52.58689703
_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 0.51792082 0.09512858 0.93935789 1
C C1 1 0.12013138 0.49399119 0.74471882 1
C C2 1 0.69828789 0.50266770 0.89142600 1
C C3 1 0.97510759 0.92376016 1.02687203 1
C C4 1 0.69542793 1.01737691 0.37187340 1
C C5 1 0.12304291 -0.01933083 0.26453643 1
C C6 1 0.84159281 1.07319527 0.60951688 1
C C7 1 0.29982597 -0.09785050 0.69761905 1
| -154.273176 |
106 | C-28224-863-54 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.55871000
_cell_length_b 2.43272000
_cell_length_c 8.11119000
_cell_angle_alpha 126.82134000
_cell_angle_beta 98.63533000
_cell_angle_gamma 89.98265000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.70140847
_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 0.88241893 0.07690845 0.81680599 1
C C1 1 0.10617390 0.94911015 0.25308740 1
C C2 1 -0.06351722 0.79094331 0.92403038 1
C C3 1 0.77016273 0.61543834 0.58704868 1
C C4 1 0.05011003 0.23463047 0.14580730 1
C C5 1 1.22103014 0.40735088 0.48318245 1
| -154.093936 |
6,376 | C-28244-7753-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.29106000
_cell_length_b 4.47284000
_cell_length_c 4.95930000
_cell_angle_alpha 76.07465000
_cell_angle_beta 65.26732000
_cell_angle_gamma 62.96915000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.94783725
_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 -0.03858674 0.29097039 0.20640247 1
C C1 1 0.00389814 0.01420776 0.64643219 1
C C2 1 0.83795419 0.49848457 0.93403714 1
C C3 1 0.52032051 0.86816091 0.42451872 1
C C4 1 1.09061825 0.33422665 0.63734128 1
C C5 1 0.64776260 1.13175464 0.48230036 1
C C6 1 0.28091625 0.70095346 1.08900851 1
C C7 1 0.96819098 0.54144560 0.36419905 1
C C8 1 -0.07610999 0.81880190 0.92540364 1
C C9 1 0.40822881 0.96427852 1.14726534 1
| -154.104992 |
6,779 | C-134193-3339-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90473000
_cell_length_b 5.08189000
_cell_length_c 4.66665000
_cell_angle_alpha 71.58593000
_cell_angle_beta 80.05075000
_cell_angle_gamma 65.02112000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 59.18405765
_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 0.06450320 0.61395364 0.89037107 1
C C1 1 1.06866241 0.60940561 0.57715290 1
C C2 1 0.35676453 0.32334436 1.05070948 1
C C3 1 0.37936966 0.29908577 0.57189043 1
C C4 1 0.51618885 0.16253350 0.34137052 1
C C5 1 0.82922186 0.85202350 0.33598690 1
C C6 1 0.83337755 0.84731935 0.02288397 1
C C7 1 0.54507905 0.13842207 0.86164294 1
| -154.200386 |
1,029 | C-102866-2261-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.44498000
_cell_length_b 4.73187000
_cell_length_c 8.46483000
_cell_angle_alpha 72.08487000
_cell_angle_beta 97.10985000
_cell_angle_gamma 71.91455000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 121.08686670
_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 0.53521300 0.57488811 0.71322612 1
C C1 1 -0.00658516 1.08167199 -0.04228890 1
C C2 1 0.68115267 0.58863241 0.29400792 1
C C3 1 0.67896529 0.89574531 0.29484843 1
C C4 1 0.69389575 0.73609403 0.79815180 1
C C5 1 0.44266374 0.50967147 0.18512677 1
C C6 1 0.13892269 0.26350319 0.03507796 1
C C7 1 0.23995494 0.12333065 0.56083791 1
C C8 1 0.43914255 0.20150683 0.18601834 1
C C9 1 1.23739405 0.81488025 0.56158710 1
C C10 1 0.53426639 0.06208482 0.71315426 1
C C11 1 1.00676201 0.73619606 0.44958752 1
C C12 1 0.68044536 0.24303253 0.79093714 1
C C13 1 0.13830914 0.74995853 1.03529883 1
C C14 1 1.00864551 0.42917009 0.44890589 1
C C15 1 0.97619059 0.58968724 0.95074271 1
| -154.162974 |
5,621 | C-40112-2876-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42708000
_cell_length_b 5.54394000
_cell_length_c 6.65187000
_cell_angle_alpha 72.82922000
_cell_angle_beta 76.73051000
_cell_angle_gamma 62.28715000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 75.25442688
_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 0.87773346 0.23834371 -0.07521034 1
C C1 1 0.67772090 0.83884966 0.12622877 1
C C2 1 0.47507113 0.43964756 0.32673547 1
C C3 1 1.07547728 0.64041028 0.72741690 1
C C4 1 0.27977216 1.03869886 0.52412361 1
C C5 1 0.27635559 0.70679305 0.19386964 1
C C6 1 0.87852375 -0.09381092 0.59169083 1
C C7 1 0.67664142 0.50654736 0.79357384 1
C C8 1 0.47823006 0.10492678 -0.00897580 1
C C9 1 0.07660934 1.30642225 0.39188647 1
| -154.432083 |
5,665 | C-28242-4049-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43867000
_cell_length_b 5.55340000
_cell_length_c 5.28547000
_cell_angle_alpha 72.91642000
_cell_angle_beta 84.05430000
_cell_angle_gamma 70.07001000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 64.32401179
_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 0.19242468 0.23585032 0.87955913 1
C C1 1 0.76352046 0.95657228 0.25056172 1
C C2 1 0.98162744 0.71324947 0.49566979 1
C C3 1 0.92809650 0.79189372 0.75292566 1
C C4 1 0.61462274 0.53993105 0.51005853 1
C C5 1 0.38688535 0.82701461 0.87055080 1
C C6 1 0.86783406 0.33244172 0.36274539 1
C C7 1 0.28886059 0.97185151 0.07919031 1
C C8 1 0.47886695 0.21502147 0.32774702 1
C C9 1 0.64651092 0.34192935 0.77301246 1
| -154.136404 |
7,796 | C-92142-9665-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45658000
_cell_length_b 6.80532000
_cell_length_c 2.53075000
_cell_angle_alpha 83.76586000
_cell_angle_beta 90.25611000
_cell_angle_gamma 69.54668000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.36604658
_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 0.74935415 0.94398813 -0.03987637 1
C C1 1 0.69791474 0.50202646 0.64957831 1
C C2 1 0.51304490 0.17478733 0.86096987 1
C C3 1 0.86265772 0.83940171 0.49022218 1
C C4 1 -0.09064847 0.28120546 0.79170976 1
C C5 1 0.09525036 0.60827592 0.58364626 1
| -154.072675 |
2,764 | C-34611-1398-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46603000
_cell_length_b 3.30936000
_cell_length_c 6.51949000
_cell_angle_alpha 78.81762000
_cell_angle_beta 97.45278000
_cell_angle_gamma 76.23364000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 49.82504508
_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 0.54423990 0.20592870 0.61263219 1
C C1 1 0.98005626 0.27008928 0.48401228 1
C C2 1 0.21976212 1.01672042 -0.04823209 1
C C3 1 0.51370423 0.57826098 0.11087550 1
C C4 1 1.11946945 -0.02227453 0.32515772 1
C C5 1 0.08906145 0.30443003 0.11174401 1
C C6 1 0.65348495 0.08414916 -0.17690858 1
C C7 1 0.69456684 0.70593516 0.32510307 1
| -154.183256 |
6,574 | C-145311-9710-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46656000
_cell_length_b 3.90356000
_cell_length_c 8.40773000
_cell_angle_alpha 81.52189000
_cell_angle_beta 89.98830000
_cell_angle_gamma 71.57821000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 75.87218240
_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 0.86336292 0.94188346 0.28217258 1
C C1 1 0.15622928 0.34429659 0.07765235 1
C C2 1 0.35620354 0.96222124 0.53430448 1
C C3 1 0.34352931 0.97730619 0.04270188 1
C C4 1 0.44801936 0.77085176 0.21630146 1
C C5 1 0.35025272 -0.03322804 0.70845735 1
C C6 1 -0.13365678 0.93199113 0.94790404 1
C C7 1 0.76397159 0.13799788 0.77419028 1
C C8 1 1.04618025 0.56495484 0.91380053 1
C C9 1 0.86444958 0.94629405 0.45650459 1
C C10 1 -0.35665348 0.37118860 0.17976838 1
C C11 1 0.55979271 0.53780630 0.81156909 1
| -154.220028 |
9,613 | C-73635-4417-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34992000
_cell_length_b 3.40729000
_cell_length_c 4.58303000
_cell_angle_alpha 89.15806000
_cell_angle_beta 68.49930000
_cell_angle_gamma 87.91271000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.63885482
_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 0.58156593 0.81012518 0.35420713 1
C C1 1 0.46839085 0.66764163 0.87959689 1
C C2 1 0.81011617 0.65521705 0.55979583 1
C C3 1 0.06969777 0.31012854 0.37876093 1
C C4 1 0.17013694 0.95567887 0.87916159 1
C C5 1 0.14669191 -0.03505295 0.55976366 1
C C6 1 0.50996707 0.47712342 0.16428804 1
C C7 1 0.84461516 1.14421036 0.16426793 1
| -154.201108 |
7,159 | C-193940-9208-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43313000
_cell_length_b 3.08639000
_cell_length_c 6.40986000
_cell_angle_alpha 75.93330000
_cell_angle_beta 79.16334000
_cell_angle_gamma 69.18757000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.37013258
_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 0.51843457 0.67919883 0.57621173 1
C C1 1 0.41076193 -0.32896706 0.79895091 1
C C2 1 0.85478425 0.67132212 0.91047432 1
C C3 1 0.07458385 0.67828159 0.46466031 1
C C4 1 0.74396957 0.67100288 0.13240505 1
C C5 1 0.18584573 0.67745314 0.24272247 1
| -154.453331 |
9,302 | C-28211-2820-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39901000
_cell_length_b 2.45946000
_cell_length_c 5.31811000
_cell_angle_alpha 90.01390000
_cell_angle_beta 83.97224000
_cell_angle_gamma 68.84570000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.19790821
_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 0.72053684 -0.08337620 -0.02166706 1
C C1 1 0.63409978 0.46105967 0.38127237 1
C C2 1 0.91696849 0.31814066 0.85149067 1
C C3 1 0.65638199 0.95037562 0.25391713 1
C C4 1 0.57146334 0.49175521 0.65673812 1
C C5 1 0.37482945 1.09011294 0.78410467 1
| -154.156043 |
6,567 | C-126147-4024-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49033000
_cell_length_b 3.59433000
_cell_length_c 4.35062000
_cell_angle_alpha 84.28274000
_cell_angle_beta 106.63848000
_cell_angle_gamma 110.33598000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98654751
_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 0.75561049 0.52715623 0.15978966 1
C C1 1 0.31258373 0.26714916 0.53580975 1
C C2 1 0.23066528 0.89754119 0.74162250 1
C C3 1 0.94379127 0.52700291 0.53611303 1
C C4 1 0.12520340 0.26751210 0.15975804 1
C C5 1 -0.16219386 0.89796421 -0.04594698 1
| -154.193907 |
8,382 | C-136239-2356-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49056000
_cell_length_b 3.59384000
_cell_length_c 4.35275000
_cell_angle_alpha 84.29022000
_cell_angle_beta 73.39528000
_cell_angle_gamma 69.67301000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.01032884
_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 0.25437192 0.13803926 0.95447552 1
C C1 1 0.77942194 0.50860775 0.53629546 1
C C2 1 0.17315661 0.50876992 0.74869723 1
C C3 1 1.06592750 0.13812492 0.33066996 1
C C4 1 0.69692814 0.87823710 0.33045047 1
C C5 1 0.88409110 0.87842655 0.95458026 1
| -154.195562 |
7,000 | C-141055-6281-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48977000
_cell_length_b 3.93598000
_cell_length_c 5.94929000
_cell_angle_alpha 82.44367000
_cell_angle_beta 77.92195000
_cell_angle_gamma 90.00063000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.49271474
_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 0.72109795 0.30937156 0.84838079 1
C C1 1 0.53804025 1.05428186 0.21753740 1
C C2 1 0.44050118 0.75241785 0.41693937 1
C C3 1 0.20330134 0.81969173 0.88559912 1
C C4 1 0.33832952 -0.02278557 0.61878304 1
C C5 1 0.94474900 0.51796415 0.40822650 1
C C6 1 0.04304738 0.29253659 0.20682031 1
C C7 1 0.84406944 0.21677953 0.60794769 1
C C8 1 0.17588699 0.45282839 0.93988851 1
C C9 1 0.65687875 -0.03641559 0.97708337 1
| -154.335228 |
7,651 | C-148248-8795-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41574000
_cell_length_b 4.72597000
_cell_length_c 6.55537000
_cell_angle_alpha 81.56123000
_cell_angle_beta 85.15569000
_cell_angle_gamma 44.42151000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 73.23403504
_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 0.34881618 0.28971912 0.20636361 1
C C1 1 0.35455724 0.95793395 0.18511870 1
C C2 1 0.80743218 0.20534391 0.29670683 1
C C3 1 0.28773571 0.05483236 0.95198229 1
C C4 1 0.28214602 0.38642945 0.97356865 1
C C5 1 0.82922157 0.13885892 0.86161995 1
C C6 1 0.86066128 0.79154459 0.85393129 1
C C7 1 0.65048996 0.65106679 0.53264887 1
C C8 1 0.65038902 0.34265838 0.64239582 1
C C9 1 -0.01567315 1.00077481 0.51597774 1
C C10 1 0.77606089 0.55261458 0.30486644 1
C C11 1 0.98514981 0.69246835 0.62650701 1
| -154.154786 |
2,416 | C-177242-5746-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44206000
_cell_length_b 3.63102000
_cell_length_c 10.28141000
_cell_angle_alpha 97.15143000
_cell_angle_beta 83.08972000
_cell_angle_gamma 109.69354000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 84.86660193
_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 -0.16141941 0.59504544 0.78638796 1
C C1 1 1.05670681 0.95502542 0.70347808 1
C C2 1 0.76532160 0.59483782 -0.06928128 1
C C3 1 0.57123583 0.89495557 0.61321455 1
C C4 1 0.26077720 0.38418162 0.73123822 1
C C5 1 0.21213771 0.54838404 -0.00529717 1
C C6 1 0.37382484 0.46556291 0.58448788 1
C C7 1 0.86266707 0.23373286 0.38532692 1
C C8 1 1.08862876 0.43274050 0.12547893 1
C C9 1 0.40823619 1.26434824 0.31973287 1
C C10 1 -0.20522644 0.25234910 0.52999217 1
C C11 1 0.52906914 0.36794598 0.18783196 1
| -154.273751 |
2,476 | C-40142-1323-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.14476000
_cell_length_b 4.36005000
_cell_length_c 5.97996000
_cell_angle_alpha 113.84885000
_cell_angle_beta 92.95755000
_cell_angle_gamma 101.64636000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 72.63146702
_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 1.13787270 0.63305701 0.99933918 1
C C1 1 0.45207212 0.94661202 0.11153338 1
C C2 1 0.66749191 0.16128606 0.35445399 1
C C3 1 -0.06641450 0.42837504 0.11171636 1
C C4 1 0.61613858 0.11333640 0.96350989 1
C C5 1 0.17420015 0.67352583 0.59602249 1
C C6 1 0.49259750 0.98583394 0.70820971 1
C C7 1 0.96097603 0.45796215 0.35273417 1
C C8 1 0.69642517 0.19037947 0.59557830 1
C C9 1 0.01530264 0.50515848 0.74385623 1
| -154.254128 |
7,108 | C-113036-345-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.99462000
_cell_length_b 4.67208000
_cell_length_c 5.39497000
_cell_angle_alpha 119.61744000
_cell_angle_beta 98.50826000
_cell_angle_gamma 107.51532000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.43274041
_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 0.55022506 0.74225408 -0.10492629 1
C C1 1 0.52147677 0.23806110 0.86890211 1
C C2 1 0.68642888 1.10937943 1.02981816 1
C C3 1 0.99428252 0.42556483 0.34181185 1
C C4 1 -0.00010666 0.74241981 0.34650646 1
C C5 1 0.71081798 0.61262596 0.05567797 1
C C6 1 0.23350249 0.10877940 0.57801235 1
C C7 1 0.23941697 0.42601409 0.58305681 1
| -154.195009 |
3,901 | C-134201-7830-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.43555000
_cell_length_b 4.99184000
_cell_length_c 4.91712000
_cell_angle_alpha 120.52763000
_cell_angle_beta 79.05137000
_cell_angle_gamma 136.55561000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.61783112
_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 0.49298409 0.37867255 0.64485379 1
C C1 1 0.99544973 0.31313253 0.01160140 1
C C2 1 0.80750186 0.03052217 0.63388562 1
C C3 1 0.55467901 0.54894110 0.44405934 1
C C4 1 0.93357473 1.14254755 0.21211450 1
C C5 1 -0.06658769 0.62241335 0.21241636 1
C C6 1 0.55492382 0.06922928 0.44384964 1
C C7 1 0.68083286 0.66117156 1.02246816 1
| -154.186336 |
8,554 | C-189707-2485-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.62180000
_cell_length_b 3.66375000
_cell_length_c 4.66286000
_cell_angle_alpha 113.02225000
_cell_angle_beta 105.55121000
_cell_angle_gamma 90.34234000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.40176005
_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 0.11242637 0.27080101 0.42701574 1
C C1 1 -0.00228443 0.46797794 0.19525562 1
C C2 1 0.28080575 0.55815713 0.75091439 1
C C3 1 0.27976099 0.93263970 0.75100366 1
C C4 1 0.39475708 0.36127797 0.98240887 1
C C5 1 1.11356464 0.89646064 0.42731733 1
| -154.074365 |
9,920 | C-72736-7953-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48190000
_cell_length_b 4.13555000
_cell_length_c 9.57837000
_cell_angle_alpha 55.16130000
_cell_angle_beta 89.99979000
_cell_angle_gamma 89.99993000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 80.69139413
_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 0.62867358 0.66644634 0.40020058 1
C C1 1 1.12873108 0.26669136 0.22733612 1
C C2 1 0.12870543 0.82947085 0.96816434 1
C C3 1 1.12871830 -0.29832701 0.15831428 1
C C4 1 0.12869599 -0.01742549 0.53879034 1
C C5 1 0.12872566 0.61201885 0.73456749 1
C C6 1 0.62873676 0.68431245 0.80127851 1
C C7 1 0.62868916 1.22007809 0.52926627 1
C C8 1 0.62872454 0.60579973 -0.02863801 1
C C9 1 0.62872436 0.23421365 0.14453997 1
C C10 1 0.12866849 -0.11788504 0.40802200 1
C C11 1 0.62872409 -0.18512473 0.20820375 1
C C12 1 0.12878643 0.20974945 0.77301505 1
C C13 1 0.62876814 1.12617730 0.70733099 1
| -154.330233 |
6,111 | C-47656-5931-59 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48064000
_cell_length_b 2.48070000
_cell_length_c 9.01220000
_cell_angle_alpha 82.08095000
_cell_angle_beta 114.36536000
_cell_angle_gamma 120.04514000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.56418850
_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 -0.19830801 0.33457097 0.73853939 1
C C1 1 0.65376293 0.10460861 0.04951126 1
C C2 1 0.88239680 0.75004393 0.98679237 1
C C3 1 1.40602063 0.85598084 0.30084871 1
C C4 1 0.49212588 0.27395662 0.55216184 1
C C5 1 0.57216286 0.68873735 0.80076359 1
C C6 1 0.72076042 -0.08053437 0.48949521 1
C C7 1 0.96742538 0.16785786 0.23767083 1
| -154.53941 |
3,516 | C-170362-9529-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48491000
_cell_length_b 6.32146000
_cell_length_c 6.68918000
_cell_angle_alpha 113.46688000
_cell_angle_beta 111.81393000
_cell_angle_gamma 101.34172000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 81.82821435
_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 0.76225530 0.64712704 0.59104878 1
C C1 1 0.90316281 0.68767764 0.21304342 1
C C2 1 0.06178432 0.94394011 0.24435366 1
C C3 1 0.46087057 0.13207398 0.54878356 1
C C4 1 0.22346983 0.36192200 0.19609575 1
C C5 1 0.49117506 0.42880320 0.92973111 1
C C6 1 0.10937449 0.91869070 0.80158708 1
C C7 1 1.14118458 0.48499272 0.55179868 1
C C8 1 0.49479201 0.63971829 0.32830671 1
C C9 1 0.49019953 1.00559871 0.14170086 1
C C10 1 0.75792008 0.28835625 0.26705604 1
C C11 1 0.14717503 0.31095748 0.64588234 1
C C12 1 0.62550051 0.03810099 0.75846623 1
C C13 1 0.94934837 0.30438109 0.94952917 1
| -154.095561 |
6,581 | C-113034-7981-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02760000
_cell_length_b 4.49181000
_cell_length_c 5.73977000
_cell_angle_alpha 94.80380000
_cell_angle_beta 121.12341000
_cell_angle_gamma 94.00347000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 87.79805852
_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 0.54712619 0.88397458 0.25814157 1
C C1 1 0.62421633 0.61040513 0.79934336 1
C C2 1 0.95100472 0.47313329 0.96401359 1
C C3 1 0.96196157 0.15335776 -0.03111737 1
C C4 1 -0.05178229 0.85537574 0.45704038 1
C C5 1 0.36311157 0.12598727 0.16859540 1
C C6 1 0.62898507 0.93836086 0.80131562 1
C C7 1 0.28435981 0.39783140 0.62746475 1
C C8 1 -0.04123501 0.53584330 0.46228615 1
C C9 1 0.28005303 0.07002946 0.62580305 1
C C10 1 0.57760435 0.40114793 0.27480978 1
C C11 1 0.33160186 0.60843509 0.15255961 1
| -154.201402 |
4,958 | C-41304-5896-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.20321000
_cell_length_b 5.52998000
_cell_length_c 4.15722000
_cell_angle_alpha 90.53627000
_cell_angle_beta 99.62016000
_cell_angle_gamma 89.32093000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 72.59698885
_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 0.43695804 0.29980494 0.58463782 1
C C1 1 0.59218102 0.67831283 0.73671791 1
C C2 1 0.28171498 0.67829473 0.43206996 1
C C3 1 0.93661483 0.31125838 0.08465368 1
C C4 1 0.19159206 0.91979539 0.33869679 1
C C5 1 -0.31810376 -0.08032386 0.83049884 1
C C6 1 0.43695252 0.05609976 0.58447022 1
C C7 1 0.19188580 0.43609992 0.33919444 1
C C8 1 0.93694841 1.04594719 0.08457255 1
C C9 1 0.68158902 0.43606112 0.83035880 1
| -154.211888 |
1,567 | C-130524-1316-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49044000
_cell_length_b 5.36467000
_cell_length_c 4.35899000
_cell_angle_alpha 138.28519000
_cell_angle_beta 106.57616000
_cell_angle_gamma 89.99929000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.01071986
_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 0.51249435 0.09151615 0.36705994 1
C C1 1 -0.04617555 0.35102629 0.25073602 1
C C2 1 0.32466340 0.09148757 -0.00849646 1
C C3 1 0.43040197 0.72123453 0.20289563 1
C C4 1 1.14165540 0.35105487 0.62629243 1
C C5 1 0.03591682 0.72130791 0.41490034 1
| -154.195783 |
1,568 | C-28222-3619-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48208000
_cell_length_b 4.52267000
_cell_length_c 7.61255000
_cell_angle_alpha 107.47307000
_cell_angle_beta 108.96257000
_cell_angle_gamma 56.83054000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 66.83477479
_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 0.62881194 0.28486938 0.90890847 1
C C1 1 0.75432480 1.01448276 0.76364383 1
C C2 1 -0.05818131 0.69937502 0.13474965 1
C C3 1 0.85316326 0.54768993 0.39376965 1
C C4 1 0.24170084 0.92095718 -0.34278155 1
C C5 1 0.44457673 0.57939443 0.51741426 1
C C6 1 0.84754646 0.16506227 0.50599408 1
C C7 1 0.05854829 0.43341126 -0.01282421 1
C C8 1 1.25547712 0.13316716 0.38164968 1
C C9 1 0.45620307 0.79158591 0.24140075 1
| -154.091666 |
388 | C-41280-7698-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48152000
_cell_length_b 3.68814000
_cell_length_c 4.21977000
_cell_angle_alpha 104.93884000
_cell_angle_beta 89.93565000
_cell_angle_gamma 109.64490000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98728393
_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 1.05871939 0.67066690 0.68613784 1
C C1 1 0.25922959 0.06825827 0.61028572 1
C C2 1 0.73874376 0.02773611 0.38833682 1
C C3 1 0.48024659 0.51366720 0.81671907 1
C C4 1 -0.06074604 0.42532747 0.31248470 1
C C5 1 0.51772676 0.58232718 0.18190347 1
| -154.310373 |
9,356 | C-106877-349-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43124000
_cell_length_b 3.93533000
_cell_length_c 6.25484000
_cell_angle_alpha 71.89474000
_cell_angle_beta 88.74313000
_cell_angle_gamma 89.00176000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.86432904
_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 0.18675949 0.84903358 0.64639206 1
C C1 1 0.68651473 0.34841888 0.39546391 1
C C2 1 0.18647170 0.18065654 0.47914055 1
C C3 1 0.68683660 0.68033987 0.22832700 1
C C4 1 0.68651777 0.34839250 0.89541557 1
C C5 1 1.18681435 0.84900716 0.14641864 1
C C6 1 0.18646935 0.18060382 -0.02087205 1
C C7 1 0.68678332 0.68034435 0.72828203 1
| -154.449976 |
5,453 | C-172971-7940-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48383000
_cell_length_b 4.04427000
_cell_length_c 8.22323000
_cell_angle_alpha 90.01660000
_cell_angle_beta 107.57362000
_cell_angle_gamma 89.98940000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 78.74946069
_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 0.65474583 0.71103328 0.82583991 1
C C1 1 0.80285204 0.97390625 -0.02708824 1
C C2 1 0.71276689 0.68139509 0.38045326 1
C C3 1 0.46885608 0.83457104 0.63882276 1
C C4 1 0.19924964 0.17927712 0.36608014 1
C C5 1 0.41141858 0.17939989 0.58108068 1
C C6 1 0.45282220 0.47290206 0.11964066 1
C C7 1 0.63868605 0.35075558 0.30587377 1
C C8 1 0.97073681 0.35116555 0.64079046 1
C C9 1 0.30294359 0.21081978 -0.02710688 1
C C10 1 0.95344437 0.71103742 0.12044731 1
C C11 1 0.15568073 0.47322094 0.82669203 1
C C12 1 0.14003332 0.83448606 0.30781279 1
C C13 1 0.89626657 0.68155332 0.56599274 1
| -154.344204 |
4,045 | C-34613-7933-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43146000
_cell_length_b 4.20184000
_cell_length_c 5.58114000
_cell_angle_alpha 90.30720000
_cell_angle_beta 89.99190000
_cell_angle_gamma 89.85494000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.01930476
_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 0.97064167 -0.00971671 0.45196115 1
C C1 1 0.47109607 0.15764337 0.45210507 1
C C2 1 0.89377480 0.36236017 0.94642007 1
C C3 1 0.89323565 0.69499493 0.94636054 1
C C4 1 0.39328576 0.19499175 -0.05367803 1
C C5 1 -0.02886380 0.65764813 0.45206004 1
C C6 1 0.47068690 0.49028932 0.45187031 1
C C7 1 0.39371797 0.86236155 -0.05353644 1
| -154.448368 |
5,844 | C-152552-1045-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44804000
_cell_length_b 3.49965000
_cell_length_c 7.79524000
_cell_angle_alpha 73.83070000
_cell_angle_beta 99.02644000
_cell_angle_gamma 110.52522000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 59.93990133
_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 0.28639348 -0.01221623 0.05399520 1
C C1 1 0.49420776 0.26095122 0.19910995 1
C C2 1 0.79661543 0.45296471 0.61015649 1
C C3 1 0.58895999 1.01590681 0.62943647 1
C C4 1 0.34680418 0.83248482 0.32921211 1
C C5 1 0.76091299 0.05125064 0.93849185 1
C C6 1 0.13874501 0.55152624 0.19894179 1
C C7 1 0.91451802 0.48776760 0.81165390 1
C C8 1 0.38027661 0.70671824 0.52358125 1
C C9 1 0.54926862 0.75441714 0.81490681 1
| -154.081707 |
3,549 | C-76058-7769-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43226000
_cell_length_b 4.81858000
_cell_length_c 4.22828000
_cell_angle_alpha 82.24985000
_cell_angle_beta 73.25055000
_cell_angle_gamma 75.31025000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.79988170
_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 0.79295471 1.04661512 0.37629323 1
C C1 1 0.17979147 0.79971143 0.85093441 1
C C2 1 0.64063910 0.98293327 0.74333417 1
C C3 1 0.01285130 0.77084345 0.21574055 1
C C4 1 0.42273287 0.25885342 0.90391902 1
C C5 1 1.02848788 0.51174554 0.44181542 1
C C6 1 0.40582461 0.51832334 0.67808650 1
C C7 1 0.25507367 0.23000143 0.26885869 1
| -154.227276 |
3,998 | C-56510-2784-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78505000
_cell_length_b 3.91704000
_cell_length_c 3.32103000
_cell_angle_alpha 74.19448000
_cell_angle_beta 95.91415000
_cell_angle_gamma 88.05233000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.02530206
_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 0.01891261 0.30316595 0.01764045 1
C C1 1 0.16432691 -0.05727416 0.93555145 1
C C2 1 0.88455427 0.54183712 0.58795371 1
C C3 1 0.52708997 0.04965483 0.83946641 1
C C4 1 0.82987709 0.89350003 0.63972494 1
C C5 1 0.70843400 0.15876245 0.21359675 1
C C6 1 0.53754743 0.38192918 0.45490038 1
C C7 1 0.17377593 0.56093720 1.26697890 1
| -154.08159 |
9,889 | C-56471-7021-68 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48088000
_cell_length_b 6.27916000
_cell_length_c 4.83770000
_cell_angle_alpha 76.12054000
_cell_angle_beta 75.15598000
_cell_angle_gamma 78.59063000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 69.96834163
_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 0.34586161 0.24253725 0.30296657 1
C C1 1 0.03243894 0.67817610 0.49339530 1
C C2 1 0.59778706 0.53407031 0.50707676 1
C C3 1 0.49140350 0.41486926 0.83314584 1
C C4 1 0.38039861 0.00612457 0.46416188 1
C C5 1 -0.21926198 0.38587743 0.28993456 1
C C6 1 0.84588861 0.74250633 0.80298732 1
C C7 1 0.99140517 0.91490712 0.33324635 1
C C8 1 1.09781827 0.03403782 1.00717365 1
C C9 1 0.53247837 0.17814808 -0.00659092 1
C C10 1 0.28076364 0.88584766 0.79003132 1
C C11 1 0.88039930 0.50608166 -0.03593192 1
| -154.310526 |
6,728 | C-170360-9481-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42947000
_cell_length_b 2.42944000
_cell_length_c 8.87158000
_cell_angle_alpha 106.52353000
_cell_angle_beta 106.54376000
_cell_angle_gamma 60.00702000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.83171911
_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 0.47106119 0.63090998 0.21046222 1
C C1 1 0.03386541 0.19578875 0.54307560 1
C C2 1 -0.12244347 0.11494077 0.87697308 1
C C3 1 1.13755834 0.29763207 0.21045374 1
C C4 1 0.54384928 0.78124747 0.87642963 1
C C5 1 0.36711815 0.52926327 0.54307823 1
| -154.461058 |
7,180 | C-73649-6461-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48326000
_cell_length_b 3.55672000
_cell_length_c 6.30691000
_cell_angle_alpha 91.33883000
_cell_angle_beta 89.99667000
_cell_angle_gamma 69.52949000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 52.17041565
_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 0.09533547 0.16301472 0.76629535 1
C C1 1 0.40463638 0.53915590 0.03855714 1
C C2 1 0.77570990 0.79803125 0.03766001 1
C C3 1 0.76876805 0.81077255 0.28732783 1
C C4 1 0.57941907 0.18961130 0.42844982 1
C C5 1 0.59615877 0.16111373 0.89517451 1
C C6 1 1.08041956 0.18839998 0.55724178 1
C C7 1 0.39701581 0.55292857 0.28817136 1
| -154.148771 |
7,436 | C-177268-8621-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48254000
_cell_length_b 3.66615000
_cell_length_c 5.57140000
_cell_angle_alpha 70.83190000
_cell_angle_beta 102.89190000
_cell_angle_gamma 90.01760000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.54199404
_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 0.79486358 0.02536760 0.17647653 1
C C1 1 0.18610482 0.63741444 0.95212906 1
C C2 1 0.29481641 0.26388223 0.17625950 1
C C3 1 0.91707252 0.64331343 0.41958018 1
C C4 1 0.41712084 0.40470854 0.41971859 1
C C5 1 0.53174553 0.03114868 0.64408535 1
C C6 1 1.03129191 0.79321062 0.64355374 1
C C7 1 0.68656359 0.87533445 -0.04738615 1
| -154.247101 |
8,969 | C-13659-6798-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44939000
_cell_length_b 5.45702000
_cell_length_c 8.38202000
_cell_angle_alpha 116.50083000
_cell_angle_beta 98.38883000
_cell_angle_gamma 90.05473000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 98.91599872
_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 0.77070103 -0.06459426 0.26743180 1
C C1 1 0.13150282 0.85810069 -0.00920350 1
C C2 1 0.65872288 0.29666156 0.04920556 1
C C3 1 0.97541301 0.47030819 0.68146420 1
C C4 1 0.21417913 0.38704051 0.16022436 1
C C5 1 0.30560611 0.52312013 0.34028121 1
C C6 1 -0.04299035 0.70456396 0.63988689 1
C C7 1 0.85969556 -0.06353451 0.44035701 1
C C8 1 -0.14167218 0.65489520 0.44227367 1
C C9 1 0.49603272 0.14026488 0.71856806 1
C C10 1 0.58561542 0.39784150 0.90139175 1
C C11 1 0.22728008 -0.07941550 0.18313795 1
C C12 1 -0.49417204 -0.11884757 0.73590027 1
C C13 1 0.60806837 0.97081010 0.94118427 1
C C14 1 -0.05297663 0.16949593 0.61693225 1
C C15 1 1.07605605 0.54881260 0.88236695 1
| -154.162264 |
913 | C-126173-3769-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48221000
_cell_length_b 3.74644000
_cell_length_c 3.84168000
_cell_angle_alpha 90.02421000
_cell_angle_beta 90.02953000
_cell_angle_gamma 90.00465000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.72550622
_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 0.54716491 0.92704385 0.04827190 1
C C1 1 0.04720697 0.15583429 0.04812408 1
C C2 1 1.04703201 0.42322134 0.75363282 1
C C3 1 0.54705637 0.65959160 0.75381450 1
C C4 1 1.04719057 0.42341659 0.34274748 1
C C5 1 0.54720677 0.65984383 0.34291872 1
| -154.159602 |
8,903 | C-106869-4718-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50835000
_cell_length_b 3.41714000
_cell_length_c 6.78264000
_cell_angle_alpha 111.87709000
_cell_angle_beta 79.34499000
_cell_angle_gamma 111.51703000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 50.11169596
_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 0.31770951 0.11877759 0.27743023 1
C C1 1 0.15378324 0.62691673 0.11351949 1
C C2 1 0.54988920 0.52268490 0.21729513 1
C C3 1 1.04980839 1.02267605 0.71731566 1
C C4 1 0.71398540 0.01467651 0.38128911 1
C C5 1 0.81763333 0.61873978 0.77741726 1
C C6 1 0.65368482 0.12682985 0.61351467 1
C C7 1 0.21395992 0.51472499 0.88129195 1
| -154.122803 |
7,462 | C-41318-6901-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47979000
_cell_length_b 2.56456000
_cell_length_c 5.72595000
_cell_angle_alpha 88.24763000
_cell_angle_beta 77.52055000
_cell_angle_gamma 89.98635000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.53685007
_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 0.34597677 0.75138575 0.67539549 1
C C1 1 0.77400217 0.75252922 0.81960078 1
C C2 1 0.45986426 0.71557712 0.44110618 1
C C3 1 0.11486975 0.22830325 0.13536923 1
C C4 1 0.03306231 0.71492477 0.29599923 1
C C5 1 0.69295194 0.23901729 0.98050278 1
| -154.289253 |
1,448 | C-40126-7915-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47880000
_cell_length_b 4.12777000
_cell_length_c 6.55811000
_cell_angle_alpha 100.66185000
_cell_angle_beta 67.75412000
_cell_angle_gamma 90.04882000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 60.85842511
_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 0.65746169 0.87908224 0.63685187 1
C C1 1 0.16062717 0.65973947 0.63384377 1
C C2 1 0.18995712 0.82777824 0.10679662 1
C C3 1 0.93659894 0.78384033 0.36129108 1
C C4 1 0.23415566 0.16453643 0.05907606 1
C C5 1 0.49663182 0.20779714 0.79801802 1
C C6 1 0.42427858 0.57611551 0.37338928 1
C C7 1 0.00420163 0.42394611 0.79119117 1
C C8 1 0.77145883 0.63104833 1.02520379 1
C C9 1 0.64241246 0.34709679 0.15127363 1
| -154.134299 |
8,442 | C-72740-7131-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48989000
_cell_length_b 3.93639000
_cell_length_c 5.95001000
_cell_angle_alpha 82.42929000
_cell_angle_beta 77.90812000
_cell_angle_gamma 90.00056000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.50321730
_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 0.45806835 0.62283567 0.21320869 1
C C1 1 0.48444822 -0.01083620 0.15946437 1
C C2 1 -0.18379944 0.22592966 0.49117377 1
C C3 1 0.71688835 0.92402751 0.69090747 1
C C4 1 0.22107979 0.68891211 0.68216837 1
C C5 1 0.93929389 0.13293836 0.25086573 1
C C6 1 0.12410698 0.38659166 0.88152661 1
C C7 1 0.32196197 0.46542824 0.48021433 1
C C8 1 0.61886896 0.14806737 0.89248310 1
C C9 1 0.00430475 0.47883971 0.12167526 1
| -154.337791 |
9,955 | C-172947-5402-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46279000
_cell_length_b 3.39591000
_cell_length_c 5.29639000
_cell_angle_alpha 85.84364000
_cell_angle_beta 90.00600000
_cell_angle_gamma 111.25491000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.15785292
_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 0.05231453 0.65212000 0.67064447 1
C C1 1 0.56753333 0.68322550 0.54362132 1
C C2 1 0.60634060 0.75215248 0.26855311 1
C C3 1 0.20167034 -0.05770469 0.14186994 1
C C4 1 0.02404636 0.58707316 -0.05407876 1
C C5 1 0.42970374 0.39745925 0.07195542 1
| -154.164502 |
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