Unnamed: 0
int64 2
10.1k
| material_id
stringlengths 12
16
| cif
stringlengths 939
1.86k
| energy_per_atom
float64 -154.56
-154.07
|
|---|---|---|---|
7,503 | C-142775-4731-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48233000
_cell_length_b 5.88247000
_cell_length_c 5.92628000
_cell_angle_alpha 65.62278000
_cell_angle_beta 89.93735000
_cell_angle_gamma 102.15051000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 76.67925399
_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 0.20324709 0.17132163 0.85503053 1
C C1 1 0.55179523 0.87870427 0.52088636 1
C C2 1 0.06239677 0.89693707 0.00820584 1
C C3 1 0.50280725 0.77763743 0.09487519 1
C C4 1 0.86083541 0.48956668 0.84441193 1
C C5 1 0.25698248 0.28031496 0.26840948 1
C C6 1 0.68123853 0.12902326 0.37094254 1
C C7 1 0.76863871 0.30134900 0.72264116 1
C C8 1 1.30012363 0.36887841 0.98793609 1
C C9 1 0.87439542 0.51935414 0.46624452 1
C C10 1 -0.02510365 0.72532900 0.58665931 1
C C11 1 0.37830361 0.52733515 0.31873898 1
| -154.074678 |
9,362 | C-152575-7588-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51706000
_cell_length_b 4.78419000
_cell_length_c 5.08736000
_cell_angle_alpha 88.87793000
_cell_angle_beta 89.55411000
_cell_angle_gamma 101.28506000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 60.06226328
_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 0.96943070 0.98983145 1.04710689 1
C C1 1 0.89633437 0.87939248 0.33458818 1
C C2 1 0.67886665 0.56050357 0.30836123 1
C C3 1 0.38934632 0.69838723 0.70854577 1
C C4 1 0.70300114 0.46292531 0.06307311 1
C C5 1 0.49189601 0.19363997 0.66411415 1
C C6 1 0.43069099 -0.06199842 0.50388118 1
C C7 1 0.88689730 0.71300318 0.88119943 1
C C8 1 0.52936487 0.16651337 0.96294980 1
C C9 1 0.45551815 0.44946355 0.55124886 1
| -154.084959 |
8,568 | C-72722-2079-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45768000
_cell_length_b 4.72466000
_cell_length_c 7.48891000
_cell_angle_alpha 68.98302000
_cell_angle_beta 81.26338000
_cell_angle_gamma 85.89201000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 80.21823519
_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 0.32045497 0.89353730 0.87214654 1
C C1 1 0.64201697 0.40715567 0.51759532 1
C C2 1 0.32224073 0.24405018 0.87252398 1
C C3 1 0.44040264 0.50961422 0.68773357 1
C C4 1 -0.13887117 1.02954765 0.56541295 1
C C5 1 0.37733575 0.84694627 0.67874787 1
C C6 1 0.18668850 0.36477957 0.24079075 1
C C7 1 0.77656853 0.23285924 0.99719812 1
C C8 1 0.72998422 0.43849216 0.10864305 1
C C9 1 0.16320284 0.51764908 0.38730151 1
C C10 1 0.72125085 0.91588365 0.13845208 1
C C11 1 0.17790543 0.84540356 0.26773553 1
C C12 1 1.07769615 0.05555132 0.36875477 1
C C13 1 0.77978329 0.76556845 0.99168895 1
| -154.105584 |
4,438 | C-152558-909-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58291000
_cell_length_b 4.06641000
_cell_length_c 4.96104000
_cell_angle_alpha 124.08225000
_cell_angle_beta 103.99814000
_cell_angle_gamma 89.00259000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 73.49222340
_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 0.58279702 0.83336697 0.41723190 1
C C1 1 0.58324963 0.16334866 0.74505434 1
C C2 1 1.00605621 1.08325956 0.24613483 1
C C3 1 -0.23181308 0.52219482 -0.08306850 1
C C4 1 0.38699755 0.13844460 0.91677786 1
C C5 1 0.76711551 -0.15266092 0.24286338 1
C C6 1 0.19037211 0.44211060 0.41779698 1
C C7 1 1.00669270 0.75866588 0.91993310 1
C C8 1 0.19069925 0.77211444 0.74551939 1
C C9 1 0.38817971 0.46644159 0.24690973 1
| -154.124442 |
6,818 | C-106833-6336-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47522000
_cell_length_b 5.39501000
_cell_length_c 4.86244000
_cell_angle_alpha 95.76468000
_cell_angle_beta 59.38116000
_cell_angle_gamma 62.69167000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 44.66098248
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.12573607 0.82951365 0.83596694 1
C C1 1 0.49671989 0.82945565 0.46590864 1
C C2 1 1.26275110 0.31769798 0.71044608 1
C C3 1 0.26318086 -0.01558112 1.04383282 1
C C4 1 -0.10563617 0.98438924 0.41297432 1
C C5 1 1.03137887 0.47257358 0.28745345 1
C C6 1 0.66039505 0.47263158 0.65751175 1
C C7 1 -0.10606592 0.31766835 0.07958757 1
| -154.410801 |
5,502 | C-145321-8105-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45247000
_cell_length_b 5.93252000
_cell_length_c 8.26664000
_cell_angle_alpha 63.10143000
_cell_angle_beta 90.14879000
_cell_angle_gamma 82.68195000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 106.14087980
_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 0.87016249 1.14205633 0.32864595 1
C C1 1 0.34644564 0.33068371 0.04598952 1
C C2 1 0.23473879 0.81340175 0.54050147 1
C C3 1 0.19047732 0.78374353 0.09428736 1
C C4 1 0.75222607 0.83636072 0.42920252 1
C C5 1 0.80117166 0.59984823 0.39376445 1
C C6 1 -0.16989120 0.46149923 0.77095614 1
C C7 1 0.57523379 1.00742813 0.80233237 1
C C8 1 0.36079391 0.45490566 0.50592737 1
C C9 1 0.50109014 0.15577055 0.59510846 1
C C10 1 0.83525826 0.38167349 0.95022245 1
C C11 1 1.02785111 0.07438496 0.53052082 1
C C12 1 0.11539575 -0.07020166 0.89597579 1
C C13 1 0.34672427 0.23093398 0.22749278 1
C C14 1 0.72241837 0.71261986 0.18860572 1
C C15 1 0.31547073 0.53011444 0.66633911 1
| -154.078562 |
3,255 | C-184064-8186-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48358000
_cell_length_b 3.61922000
_cell_length_c 3.91524000
_cell_angle_alpha 72.80272000
_cell_angle_beta 81.14024000
_cell_angle_gamma 100.62215000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 45.19040383
_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 0.46704232 0.58248538 0.11728517 1
C C1 1 0.77551467 0.73305840 0.81131550 1
C C2 1 0.96954186 0.14015926 0.61832453 1
C C3 1 0.96850623 0.52068729 0.62011486 1
C C4 1 0.27468737 0.79512996 0.30893737 1
C C5 1 0.27246365 0.17542100 0.31019207 1
| -154.13515 |
3,475 | C-150713-29-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37322000
_cell_length_b 6.92909000
_cell_length_c 6.14962000
_cell_angle_alpha 80.38885000
_cell_angle_beta 76.58602000
_cell_angle_gamma 77.57635000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C24
_cell_volume 135.50141534
_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 0.68886514 0.35422708 0.73745388 1
C C1 1 0.73344974 0.95743097 0.69488532 1
C C2 1 1.18233434 0.81075192 0.28338027 1
C C3 1 0.91815894 0.15278173 0.70125079 1
C C4 1 0.02356475 0.62103897 0.25764626 1
C C5 1 0.98128933 0.18203922 0.29199107 1
C C6 1 0.25186419 0.19824719 0.05288684 1
C C7 1 0.44166901 0.47851735 0.16718847 1
C C8 1 0.35824543 0.90158169 0.86392115 1
C C9 1 0.39194191 0.78724800 0.49983533 1
C C10 1 0.04650653 0.58697477 0.86268302 1
C C11 1 0.55330731 -0.02910698 0.48736877 1
C C12 1 0.46081194 0.43920257 0.55193452 1
C C13 1 0.53745636 0.31847130 0.36448811 1
C C14 1 0.13791837 0.79104838 0.73957557 1
C C15 1 0.23675510 0.16201937 0.46869733 1
C C16 1 0.67365310 0.02620538 0.08216846 1
C C17 1 -0.01656330 0.50379143 0.66567563 1
C C18 1 0.75992542 0.62871794 0.08321852 1
C C19 1 0.37776021 0.40213372 0.95598106 1
C C20 1 0.05739508 0.08425721 0.91585876 1
C C21 1 0.85302180 -0.00757004 0.28648857 1
C C22 1 -0.27496954 0.60228216 0.48621489 1
C C23 1 0.50929963 0.83391437 0.07562473 1
| -154.173287 |
220 | C-145329-3191-55 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50315000
_cell_length_b 4.28183000
_cell_length_c 6.65464000
_cell_angle_alpha 73.69511000
_cell_angle_beta 85.11563000
_cell_angle_gamma 87.04610000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.17919268
_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 0.91928987 0.60382413 0.25086167 1
C C1 1 -0.12123400 0.23611112 0.89416943 1
C C2 1 0.66534577 0.20217776 0.11588229 1
C C3 1 0.94720726 0.60075381 0.81236613 1
C C4 1 0.70559961 0.93608225 0.26947554 1
C C5 1 0.40377229 0.09563745 0.81874136 1
C C6 1 0.45067848 0.20376504 0.56477608 1
C C7 1 0.50590002 0.89818088 0.49188422 1
C C8 1 0.43583839 0.72550543 0.89860828 1
C C9 1 -0.01471860 0.69816009 0.57839687 1
C C10 1 0.45535112 0.53601829 0.13501408 1
C C11 1 -0.04689482 0.40894745 0.48793666 1
| -154.197758 |
7,579 | C-184058-8674-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46785000
_cell_length_b 3.33561000
_cell_length_c 5.77780000
_cell_angle_alpha 78.83437000
_cell_angle_beta 64.28012000
_cell_angle_gamma 69.31169000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.04049048
_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 0.37218644 0.77094360 0.87377742 1
C C1 1 0.69017296 0.68896941 0.60019750 1
C C2 1 0.36023219 0.38234974 0.07919161 1
C C3 1 0.66339851 -0.05784196 0.99799791 1
C C4 1 0.65171286 0.55226472 0.20413135 1
C C5 1 0.33902566 0.63448069 0.47750060 1
| -154.126135 |
5,278 | C-92114-1640-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48199000
_cell_length_b 3.68809000
_cell_length_c 4.21977000
_cell_angle_alpha 74.99996000
_cell_angle_beta 89.99369000
_cell_angle_gamma 70.35523000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.97838381
_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 0.23872785 0.42668033 1.01663081 1
C C1 1 0.04175425 0.82378697 0.09281657 1
C C2 1 0.46316182 0.98076308 0.22325682 1
C C3 1 0.49630092 0.91359691 0.58803333 1
C C4 1 0.71815339 0.46779317 0.79443082 1
C C5 1 0.91798847 0.07066504 0.71846616 1
| -154.311178 |
7,321 | C-13681-3389-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48821000
_cell_length_b 4.69561000
_cell_length_c 4.76280000
_cell_angle_alpha 103.58906000
_cell_angle_beta 58.49900000
_cell_angle_gamma 89.99765000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.60895274
_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 0.22252906 0.07000190 0.77014039 1
C C1 1 -0.11099947 1.00069723 0.10308794 1
C C2 1 -0.07601253 -0.04438394 0.56867844 1
C C3 1 -0.04469271 0.42326980 0.53725066 1
C C4 1 0.88168312 0.65277626 0.11064860 1
C C5 1 0.15620952 0.64783195 0.33573851 1
C C6 1 0.22977021 0.41805180 0.76247305 1
C C7 1 0.18820060 0.11484289 0.30403621 1
| -154.363966 |
7,217 | C-126157-7089-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42770000
_cell_length_b 4.83638000
_cell_length_c 5.80419000
_cell_angle_alpha 126.73027000
_cell_angle_beta 90.11130000
_cell_angle_gamma 120.03385000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.59475605
_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 0.69731706 0.06617808 0.23923241 1
C C1 1 0.29072453 0.65974068 0.17953387 1
C C2 1 0.88487084 0.25353130 0.83329029 1
C C3 1 0.19740866 0.06668356 0.67849578 1
C C4 1 0.79171196 0.66020108 0.33224923 1
C C5 1 0.38528905 0.25370411 0.27242092 1
| -154.279676 |
2,306 | C-157693-2980-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48134000
_cell_length_b 4.22007000
_cell_length_c 3.68946000
_cell_angle_alpha 104.81458000
_cell_angle_beta 70.32541000
_cell_angle_gamma 89.96778000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00950672
_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 0.69710202 0.84958322 0.38575013 1
C C1 1 0.37463796 0.14734794 1.02741427 1
C C2 1 0.91843227 0.64310428 0.94008690 1
C C3 1 0.49636917 0.77428781 0.78392751 1
C C4 1 0.17689658 0.07136173 0.42455699 1
C C5 1 0.95349981 0.27790063 -0.13003120 1
| -154.311547 |
7,216 | C-96709-3568-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48193000
_cell_length_b 3.68726000
_cell_length_c 4.89652000
_cell_angle_alpha 66.83800000
_cell_angle_beta 59.52296000
_cell_angle_gamma 70.35293000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.97376075
_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 0.91212280 -0.00989527 0.66612250 1
C C1 1 0.20347834 0.14700811 0.79674966 1
C C2 1 1.18750362 0.59285795 0.59018402 1
C C3 1 0.88814977 0.63391409 0.36801234 1
C C4 1 0.16295070 0.23681031 0.29198859 1
C C5 1 0.87214076 0.07966712 0.16137558 1
| -154.310448 |
9,721 | C-134158-3120-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45660000
_cell_length_b 3.66372000
_cell_length_c 6.39227000
_cell_angle_alpha 105.23203000
_cell_angle_beta 89.99428000
_cell_angle_gamma 70.37742000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 52.03984842
_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 0.27412272 0.07016560 0.35848603 1
C C1 1 0.49371619 0.62933516 0.55501463 1
C C2 1 0.87206570 0.87327080 0.64229550 1
C C3 1 0.77205205 0.07242544 0.87881723 1
C C4 1 0.49764286 0.62181252 0.30602565 1
C C5 1 1.12075861 0.37581177 0.21970511 1
C C6 1 0.71740047 1.18165140 0.50446898 1
C C7 1 0.21933630 0.17610842 0.98376826 1
| -154.282654 |
252 | C-41306-4542-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27404000
_cell_length_b 3.27828000
_cell_length_c 5.97447000
_cell_angle_alpha 76.58317000
_cell_angle_beta 103.40852000
_cell_angle_gamma 81.11123000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 59.18604305
_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 0.76677265 0.62813477 0.27461989 1
C C1 1 0.79963727 0.05166271 0.88504175 1
C C2 1 0.71155758 0.65882672 0.50901530 1
C C3 1 0.39473407 -0.02439601 0.50892499 1
C C4 1 0.16102176 0.69096708 0.88502804 1
C C5 1 0.36009331 1.03128016 0.74292859 1
C C6 1 0.78541417 0.06839792 0.13171280 1
C C7 1 0.99901019 0.39332319 0.74318328 1
C C8 1 0.12801601 0.26647533 0.27458519 1
C C9 1 0.42412068 0.42910863 0.13169338 1
| -154.255398 |
8,269 | C-113078-2193-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45666000
_cell_length_b 3.66307000
_cell_length_c 6.46582000
_cell_angle_alpha 98.74943000
_cell_angle_beta 79.02554000
_cell_angle_gamma 70.36279000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 52.30921279
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.31330308 0.34310219 0.93979315 1
C C1 1 0.02809478 0.78108580 1.07666940 1
C C2 1 0.19087824 0.87663023 0.65614133 1
C C3 1 0.72790975 0.71427654 0.74265055 1
C C4 1 0.90106865 0.31485433 0.79392504 1
C C5 1 0.49055399 -0.05777161 0.98924953 1
C C6 1 -0.11325127 0.82451514 0.31349359 1
C C7 1 0.32738708 0.83739787 0.41986200 1
| -154.28392 |
9,842 | C-9626-8169-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48851000
_cell_length_b 4.97559000
_cell_length_c 5.56125000
_cell_angle_alpha 47.82126000
_cell_angle_beta 63.38363000
_cell_angle_gamma 59.94570000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.49173064
_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 0.39739744 0.29161901 0.42370267 1
C C1 1 0.02306472 0.54143964 0.54859536 1
C C2 1 0.89691362 0.79153471 0.92364006 1
C C3 1 0.89691362 0.29153471 0.92364006 1
C C4 1 0.02306472 0.04143964 0.54859536 1
C C5 1 0.52246987 0.04145825 0.04867241 1
C C6 1 0.39739744 0.79161901 0.42370267 1
C C7 1 0.52246987 0.54145825 1.04867241 1
| -154.547828 |
872 | C-157670-1845-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.44968000
_cell_length_b 3.37274000
_cell_length_c 8.05549000
_cell_angle_alpha 96.54601000
_cell_angle_beta 108.90405000
_cell_angle_gamma 88.26263000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 88.08908324
_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 0.58807370 0.57877126 0.50488657 1
C C1 1 0.53623207 0.84137626 0.22548895 1
C C2 1 0.72416028 0.75354504 0.82894612 1
C C3 1 0.07952095 0.08302416 0.50244297 1
C C4 1 0.28876459 0.47666830 0.11058577 1
C C5 1 0.79992933 0.98094532 0.12630880 1
C C6 1 0.21114766 0.17057978 0.22576428 1
C C7 1 0.86571796 0.62213127 0.00974162 1
C C8 1 0.56070348 0.28331731 1.00966150 1
C C9 1 0.26594157 0.30847440 0.41338018 1
C C10 1 0.76452096 0.80251109 0.41276161 1
C C11 1 0.43546416 0.06779969 0.82786375 1
C C12 1 0.12842329 0.22720597 0.68884612 1
C C13 1 0.82327299 0.52548036 0.68985336 1
| -154.118202 |
7,165 | C-72730-1850-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48656000
_cell_length_b 4.30581000
_cell_length_c 4.30708000
_cell_angle_alpha 99.61872000
_cell_angle_beta 125.25187000
_cell_angle_gamma 106.76120000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.61319183
_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 0.57303070 0.68079687 0.28275261 1
C C1 1 0.98977894 0.34743393 0.86622679 1
C C2 1 0.32311227 0.68076726 0.53289345 1
C C3 1 0.90636403 1.01413021 0.94941928 1
C C4 1 0.65644560 0.01410059 0.19956012 1
C C5 1 0.23969736 0.34746354 0.61608595 1
| -154.550607 |
8,167 | C-40128-4097-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46296000
_cell_length_b 3.39110000
_cell_length_c 5.84335000
_cell_angle_alpha 84.79833000
_cell_angle_beta 114.95933000
_cell_angle_gamma 111.23480000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.13058763
_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 0.63416277 0.20889215 0.62469093 1
C C1 1 0.94633145 0.27750074 0.90022432 1
C C2 1 0.89563519 0.37545276 0.30218905 1
C C3 1 0.91399277 1.01984264 0.49863254 1
C C4 1 0.61642233 0.56547736 0.42818901 1
C C5 1 0.58817899 0.30885045 0.02652035 1
| -154.162956 |
3,298 | C-53832-8784-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44464000
_cell_length_b 4.90400000
_cell_length_c 9.48314000
_cell_angle_alpha 111.61734000
_cell_angle_beta 89.98404000
_cell_angle_gamma 60.06252000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 89.16555055
_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 0.47039411 0.16655332 0.06929887 1
C C1 1 0.98770462 0.15030385 0.57583253 1
C C2 1 0.75930818 0.88634348 0.79948880 1
C C3 1 0.70809759 0.92960056 0.50654650 1
C C4 1 0.42094921 0.72251562 0.79438986 1
C C5 1 0.18394920 0.45597728 1.01773748 1
C C6 1 0.36142362 0.77816673 0.25907898 1
C C7 1 0.46265443 0.67675620 0.08770123 1
C C8 1 0.81213709 0.82680978 0.33515258 1
C C9 1 0.12407460 1.01385135 0.07514797 1
C C10 1 0.79491000 0.34627479 0.76097905 1
C C11 1 0.69818877 0.43964505 0.52461896 1
C C12 1 0.37938556 0.26194019 0.83241595 1
C C13 1 1.04515642 0.59153989 0.51816214 1
| -154.218426 |
3,396 | C-13925-8845-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46984000
_cell_length_b 5.18276000
_cell_length_c 3.23541000
_cell_angle_alpha 89.42183000
_cell_angle_beta 112.40492000
_cell_angle_gamma 90.01089000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 38.28660875
_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 0.21211326 0.33820392 0.14743065 1
C C1 1 1.03249830 0.11949344 0.78940584 1
C C2 1 0.02945867 0.55710960 0.78240727 1
C C3 1 0.85056766 0.33889949 0.42394280 1
C C4 1 0.52973956 0.70982758 0.78313150 1
C C5 1 0.53227235 0.96681957 0.78915233 1
| -154.260529 |
3,155 | C-152583-4955-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30750000
_cell_length_b 3.91633000
_cell_length_c 5.27336000
_cell_angle_alpha 74.96357000
_cell_angle_beta 97.34929000
_cell_angle_gamma 73.71891000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 61.82191003
_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 0.89222598 0.77879482 0.72508284 1
C C1 1 0.26653176 0.59285701 0.62205001 1
C C2 1 0.45321666 0.90953501 0.50416855 1
C C3 1 0.29470051 1.14855470 -0.00764895 1
C C4 1 0.89778371 0.47733151 -0.01092974 1
C C5 1 0.53064681 0.86058729 0.24395634 1
C C6 1 0.12427027 0.29792742 0.50467830 1
C C7 1 0.96716300 0.11179658 0.76166518 1
C C8 1 0.83172583 0.54930910 0.24316604 1
C C9 1 0.59000718 0.32674366 0.85474793 1
| -154.089968 |
6,725 | C-157689-1881-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.64455000
_cell_length_b 2.44257000
_cell_length_c 9.02199000
_cell_angle_alpha 97.75926000
_cell_angle_beta 108.34165000
_cell_angle_gamma 109.61937000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 69.15783848
_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 0.08322837 0.57122016 0.14341529 1
C C1 1 0.46646636 0.47496816 0.57008962 1
C C2 1 0.38473515 0.81084081 0.32395611 1
C C3 1 0.69710195 0.39423531 0.17887057 1
C C4 1 0.01331146 0.91286301 0.89778753 1
C C5 1 0.77198402 -0.01340646 0.28963594 1
C C6 1 0.88330442 0.30711759 0.81743246 1
C C7 1 0.59898425 0.08170376 0.65006547 1
C C8 1 0.25688496 0.28120329 0.39171824 1
C C9 1 0.21345008 1.10365899 0.07631918 1
| -154.254023 |
2,456 | C-189732-2937-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46328000
_cell_length_b 4.44849000
_cell_length_c 6.83117000
_cell_angle_alpha 100.96993000
_cell_angle_beta 117.85202000
_cell_angle_gamma 95.86055000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 63.38159158
_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 0.71868058 0.24033555 0.70289416 1
C C1 1 0.21772711 0.10802321 0.73743343 1
C C2 1 0.18495183 0.74522692 0.18823424 1
C C3 1 0.87669784 0.83695514 0.96688616 1
C C4 1 0.17514617 0.08805080 0.18896786 1
C C5 1 0.77482805 0.27082789 0.25350178 1
C C6 1 0.75505002 0.52975543 0.61897226 1
C C7 1 0.18848935 0.82123924 0.82484381 1
C C8 1 0.76861290 0.61415494 0.25778129 1
C C9 1 0.06872476 0.51833518 0.47742901 1
| -154.123288 |
7,234 | C-170886-315-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48501000
_cell_length_b 4.08691000
_cell_length_c 4.67797000
_cell_angle_alpha 83.30868000
_cell_angle_beta 105.44102000
_cell_angle_gamma 90.01320000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.45919330
_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 0.46857933 0.73583664 0.97450252 1
C C1 1 0.69952386 0.44891790 0.43152492 1
C C2 1 0.81124608 0.14221411 0.66205602 1
C C3 1 0.20031238 0.67467251 0.43325083 1
C C4 1 0.30993979 0.91736329 0.65962768 1
C C5 1 0.04110474 0.85519273 0.11835461 1
C C6 1 0.98365429 0.21099098 0.00390426 1
C C7 1 0.52811653 0.38022104 0.09041947 1
| -154.368859 |
7,167 | C-102883-8617-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46609000
_cell_length_b 3.30950000
_cell_length_c 6.52497000
_cell_angle_alpha 101.34700000
_cell_angle_beta 82.58802000
_cell_angle_gamma 76.21469000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 49.83625051
_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 0.40239041 0.90417381 0.38117843 1
C C1 1 0.54751195 0.40724280 0.66907372 1
C C2 1 0.07810856 0.71972661 0.04217322 1
C C3 1 0.97202216 0.67963657 0.66933243 1
C C4 1 -0.16205942 0.96875165 0.50990940 1
C C5 1 0.51360127 0.78421411 0.17071448 1
C C6 1 0.94415642 0.00881433 0.88268798 1
C C7 1 0.36871055 0.28124532 0.88289363 1
| -154.182858 |
4,543 | C-127283-6070-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45422000
_cell_length_b 7.98624000
_cell_length_c 9.49752000
_cell_angle_alpha 131.24790000
_cell_angle_beta 95.43011000
_cell_angle_gamma 94.00232000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C22
_cell_volume 137.14224034
_cell_formula_units_Z 22
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.28476167 0.30979178 0.44835262 1
C C1 1 1.18952190 0.19000882 0.43867615 1
C C2 1 0.66981128 0.39929651 0.18867663 1
C C3 1 0.72346568 0.43602663 0.37955001 1
C C4 1 0.29252499 0.58520239 0.48266751 1
C C5 1 0.10467986 0.08369733 0.63032515 1
C C6 1 0.79978612 0.41547908 0.73759546 1
C C7 1 -0.08823948 0.52177717 -0.06401234 1
C C8 1 -0.24456899 0.66810399 0.31788288 1
C C9 1 0.02060036 1.05810312 0.91937312 1
C C10 1 0.55370197 0.92887759 0.03785391 1
C C11 1 0.33684127 0.73491679 0.44119488 1
C C12 1 0.62592955 0.78761678 0.23707302 1
C C13 1 0.54609533 0.97803033 0.59368864 1
C C14 1 0.36474600 0.66638013 0.68669401 1
C C15 1 0.22422919 0.27323335 0.64260730 1
C C16 1 1.10947788 0.28114385 0.07674317 1
C C17 1 1.14184391 -0.07078857 0.26921199 1
C C18 1 1.08779491 -0.07133196 0.10808733 1
C C19 1 0.82728379 0.54164229 0.66884181 1
C C20 1 0.46543803 0.58948900 1.02860889 1
C C21 1 0.47839344 0.92385910 0.87339245 1
| -154.094528 |
6,950 | C-107719-7757-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52458000
_cell_length_b 4.44888000
_cell_length_c 4.36976000
_cell_angle_alpha 73.85791000
_cell_angle_beta 85.81429000
_cell_angle_gamma 80.87429000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.52592926
_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 0.82681795 0.88336854 0.93917244 1
C C1 1 0.30846467 0.35810086 0.66678146 1
C C2 1 -0.25124501 0.86316043 0.57981392 1
C C3 1 0.78748447 0.24888358 0.87350075 1
C C4 1 0.58647960 0.37827827 0.14178709 1
C C5 1 0.28600306 0.70770311 0.48667068 1
C C6 1 0.53582181 0.19384924 0.42963092 1
C C7 1 0.36376336 0.72235816 0.11878324 1
| -154.079883 |
9,130 | C-13904-4247-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04816000
_cell_length_b 4.11339000
_cell_length_c 5.53222000
_cell_angle_alpha 58.93029000
_cell_angle_beta 47.49508000
_cell_angle_gamma 74.20840000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 72.00484363
_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 0.64597879 0.09705385 0.93653060 1
C C1 1 0.30100203 0.74695281 0.91594997 1
C C2 1 0.65061053 0.09265038 0.20033230 1
C C3 1 0.14624811 0.59745753 0.44704690 1
C C4 1 0.90298329 0.34719323 1.07239923 1
C C5 1 0.99531324 0.44284026 0.22124257 1
C C6 1 0.15063107 0.59198158 0.68986738 1
C C7 1 0.39358681 0.84250821 0.06460626 1
C C8 1 0.90214075 0.35158488 0.55582258 1
C C9 1 0.39433649 0.83832708 0.58118522 1
| -154.201627 |
6,234 | C-107721-8342-51 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42709000
_cell_length_b 4.70683000
_cell_length_c 8.43811000
_cell_angle_alpha 128.10213000
_cell_angle_beta 87.98831000
_cell_angle_gamma 122.38151000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.38455334
_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 0.87472131 0.35743017 1.05309899 1
C C1 1 0.12474515 0.10742860 0.30312978 1
C C2 1 0.62468084 0.60742374 -0.19691753 1
C C3 1 0.87498519 0.35718063 0.38572517 1
C C4 1 0.12494462 0.10717515 0.63569545 1
C C5 1 0.62494472 0.60717420 0.13570865 1
C C6 1 0.37492087 0.85717576 0.88567786 1
C C7 1 0.37472141 0.85742922 0.55311220 1
| -154.452343 |
422 | C-152579-4602-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46683000
_cell_length_b 3.51491000
_cell_length_c 8.92121000
_cell_angle_alpha 53.75460000
_cell_angle_beta 75.54930000
_cell_angle_gamma 65.02296000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.55019605
_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 0.03368275 -0.00144413 0.62711391 1
C C1 1 0.71112384 1.04307569 0.35740529 1
C C2 1 0.18882657 0.64958665 0.95092798 1
C C3 1 0.87757093 0.37605233 0.95093363 1
C C4 1 0.18911364 0.43060270 0.76360540 1
C C5 1 1.03341103 0.80771676 0.08754376 1
C C6 1 0.53363122 0.62801619 0.20720387 1
C C7 1 0.35629421 0.76227051 0.35737411 1
C C8 1 0.53386391 0.17775821 0.50747552 1
C C9 1 0.87761431 0.15723679 0.76358503 1
| -154.20344 |
2,860 | C-57156-2568-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43082000
_cell_length_b 5.79699000
_cell_length_c 4.85520000
_cell_angle_alpha 102.88529000
_cell_angle_beta 120.14884000
_cell_angle_gamma 88.77014000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.33818763
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.02984646 0.51210724 0.33257080 1
C C1 1 0.07430642 0.01018198 0.01694874 1
C C2 1 0.07416160 0.01017596 0.51694405 1
C C3 1 0.69607018 0.51115581 0.49929272 1
C C4 1 0.40783874 0.01109893 0.85020451 1
C C5 1 0.69618910 0.51114712 0.99940203 1
C C6 1 0.02994860 0.51210514 0.83268653 1
C C7 1 0.40791150 0.01109432 0.35013822 1
| -154.44071 |
2,247 | C-9614-2905-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.36830000
_cell_length_b 3.46705000
_cell_length_c 6.55588000
_cell_angle_alpha 98.32345000
_cell_angle_beta 81.73766000
_cell_angle_gamma 92.20229000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 74.95512277
_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 0.73808444 0.38516895 1.02618761 1
C C1 1 0.08512739 0.06817753 0.02916021 1
C C2 1 0.49934139 0.17709062 0.68152434 1
C C3 1 0.19411261 0.13107629 0.25289185 1
C C4 1 0.54775170 0.45175284 0.25134022 1
C C5 1 0.78502144 0.41456814 0.59071988 1
C C6 1 0.89415077 0.43860669 0.36962708 1
C C7 1 0.00712578 0.67544122 0.70847907 1
C C8 1 0.04861398 0.65605166 0.92558059 1
C C9 1 0.39271262 0.30452782 0.90585744 1
C C10 1 0.26650314 0.89237299 0.58458387 1
C C11 1 0.23355604 0.77304855 0.35686275 1
| -154.09527 |
5,174 | C-170352-5915-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42592000
_cell_length_b 4.87168000
_cell_length_c 4.22138000
_cell_angle_alpha 89.29968000
_cell_angle_beta 89.99282000
_cell_angle_gamma 119.88789000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.25001030
_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 0.77552133 0.42370796 0.88371121 1
C C1 1 -0.23003894 -0.08109977 -0.03044313 1
C C2 1 0.12244921 0.77168131 0.82220079 1
C C3 1 0.11876390 0.26736043 -0.09083943 1
C C4 1 0.18139676 0.83093958 0.47397077 1
C C5 1 0.70759584 0.85740380 0.31757840 1
| -154.315164 |
1,769 | C-113050-8539-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.62235000
_cell_length_b 2.47124000
_cell_length_c 7.68545000
_cell_angle_alpha 90.00653000
_cell_angle_beta 91.90401000
_cell_angle_gamma 90.10774000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 49.77763562
_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 0.96757314 0.15856101 0.23846348 1
C C1 1 0.49316896 0.65915198 0.46306081 1
C C2 1 0.49032640 0.15933277 0.56666528 1
C C3 1 0.44364236 1.15912759 0.73793815 1
C C4 1 0.44093600 0.65905254 0.84154901 1
C C5 1 0.95925836 0.65864232 0.96243798 1
C C6 1 -0.02528963 0.65870105 0.34216020 1
C C7 1 0.96616550 0.15859805 0.06606959 1
| -154.185171 |
7,510 | C-170370-9311-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45007000
_cell_length_b 5.43392000
_cell_length_c 5.76844000
_cell_angle_alpha 112.51290000
_cell_angle_beta 115.13012000
_cell_angle_gamma 90.00772000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 63.00253172
_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 0.28920664 0.67157109 0.52419255 1
C C1 1 1.21914475 0.96084348 0.95301233 1
C C2 1 0.60459202 0.78363278 0.83799367 1
C C3 1 0.53434086 0.07330927 0.26672681 1
C C4 1 0.12692525 0.19415943 0.86191876 1
C C5 1 0.48253314 0.23647275 0.71753834 1
C C6 1 0.17553906 0.12610951 0.40861122 1
C C7 1 0.64624374 0.61778610 0.38204765 1
C C8 1 0.33916865 0.50715009 1.07288996 1
C C9 1 0.69529287 0.54981892 0.92862360 1
| -154.201344 |
3,281 | C-170374-5689-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48678000
_cell_length_b 6.21184000
_cell_length_c 5.72427000
_cell_angle_alpha 113.19673000
_cell_angle_beta 89.98113000
_cell_angle_gamma 78.44174000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 79.31988973
_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 0.12868729 0.84790551 0.89751709 1
C C1 1 1.02361183 1.06220217 0.84278839 1
C C2 1 0.35227949 0.40681437 0.92608969 1
C C3 1 0.78185071 0.54505175 0.50872761 1
C C4 1 0.45776867 0.19203207 0.98085996 1
C C5 1 0.11929968 -0.13049786 0.36143332 1
C C6 1 1.05077012 0.99867076 0.18623835 1
C C7 1 0.47058523 0.15915838 0.22078374 1
C C8 1 0.70330309 0.70007014 0.82053392 1
C C9 1 1.42786669 0.25568680 0.63721848 1
C C10 1 0.36166092 0.38522478 0.46186279 1
C C11 1 -0.30063923 0.71047215 0.31558177 1
C C12 1 0.00798952 0.09497882 0.60271045 1
C C13 1 0.77836449 0.55442437 0.00298875 1
| -154.277358 |
3,521 | C-102915-7408-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44205000
_cell_length_b 4.18927000
_cell_length_c 6.55770000
_cell_angle_alpha 109.46101000
_cell_angle_beta 100.66483000
_cell_angle_gamma 90.03258000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 62.02213581
_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 0.55258408 -0.11817437 0.68453408 1
C C1 1 1.05931664 0.73112992 0.69664320 1
C C2 1 0.53926527 0.20673408 0.64542085 1
C C3 1 0.86963846 0.93319370 0.29596208 1
C C4 1 0.76476929 0.68390886 0.08530321 1
C C5 1 0.21024069 0.57058690 0.97955185 1
C C6 1 0.42332565 1.04495112 0.40205002 1
C C7 1 0.08438732 0.40626798 0.73601301 1
| -154.230876 |
7,316 | C-102871-6259-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26468000
_cell_length_b 3.42598000
_cell_length_c 4.74006000
_cell_angle_alpha 65.36583000
_cell_angle_beta 90.01239000
_cell_angle_gamma 90.04720000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.19113217
_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 0.15753333 0.31052527 0.00302531 1
C C1 1 1.00658294 0.50630324 0.66896133 1
C C2 1 0.78527846 0.16922340 0.19880735 1
C C3 1 0.65724320 0.16919278 0.69877027 1
C C4 1 0.93694682 0.97431913 0.53292385 1
C C5 1 0.43743585 0.50611441 0.16905841 1
C C6 1 0.28523973 0.31081094 0.50289287 1
C C7 1 0.50603297 -0.02572267 1.03283791 1
| -154.187973 |
6,522 | C-142803-3273-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44972000
_cell_length_b 3.36593000
_cell_length_c 7.72279000
_cell_angle_alpha 105.34227000
_cell_angle_beta 89.99407000
_cell_angle_gamma 111.28656000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.89284358
_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 0.15044125 0.75083617 0.13109388 1
C C1 1 0.35744108 0.16199422 0.08225994 1
C C2 1 0.59723127 0.64344556 0.22209168 1
C C3 1 0.84017332 1.12828835 0.79428880 1
C C4 1 0.29642824 0.04356187 0.70266061 1
C C5 1 0.20857988 -0.13259296 0.51024113 1
C C6 1 0.66619271 0.78437481 0.41821883 1
C C7 1 0.91014515 0.26852068 0.99050522 1
| -154.196594 |
6,168 | C-145317-4010-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46260000
_cell_length_b 4.26909000
_cell_length_c 6.60990000
_cell_angle_alpha 101.48402000
_cell_angle_beta 79.23745000
_cell_angle_gamma 89.98783000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 66.85073325
_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 0.44307748 0.50925158 0.20563418 1
C C1 1 0.55947583 0.06600576 0.96515950 1
C C2 1 0.92623315 0.69197229 0.54155908 1
C C3 1 0.53293521 0.42893980 0.96191669 1
C C4 1 0.38052179 0.88384678 0.63084027 1
C C5 1 0.06634781 0.53336648 0.86013381 1
C C6 1 0.03984569 0.38902235 0.61983293 1
C C7 1 0.84373509 1.04147991 0.31062643 1
C C8 1 0.12740273 0.89688800 0.86424522 1
C C9 1 -0.09141894 0.67833152 0.30662327 1
C C10 1 0.57389952 0.18633350 0.55091100 1
C C11 1 0.41032495 1.14622064 0.20859672 1
| -154.203378 |
8,129 | C-102879-3098-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48412000
_cell_length_b 4.67514000
_cell_length_c 4.08559000
_cell_angle_alpha 83.31715000
_cell_angle_beta 89.99789000
_cell_angle_gamma 105.32674000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.42648223
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.14632031 0.18406116 0.24147729 1
C C1 1 -0.02271815 0.84335269 0.17333879 1
C C2 1 0.49009607 0.87110392 0.64755937 1
C C3 1 0.76542393 0.41284504 0.71040491 1
C C4 1 0.26693695 0.41565172 -0.06468803 1
C C5 1 0.43558271 0.75735930 0.00354159 1
C C6 1 -0.08042230 0.72727822 0.52880417 1
C C7 1 0.64695908 0.18562055 0.46822449 1
| -154.362644 |
8,378 | C-22169-846-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49970000
_cell_length_b 4.56016000
_cell_length_c 6.42495000
_cell_angle_alpha 94.40475000
_cell_angle_beta 85.67556000
_cell_angle_gamma 94.54491000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 130.71402324
_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 0.28823411 1.04856484 0.66314992 1
C C1 1 0.73163731 0.26500875 0.90976120 1
C C2 1 0.89745570 0.06251301 -0.00354537 1
C C3 1 0.28598863 0.28038643 0.34618546 1
C C4 1 0.18173623 0.25249719 0.55165049 1
C C5 1 0.73491478 0.83318117 0.39345144 1
C C6 1 0.94085196 0.62087324 0.40897866 1
C C7 1 0.32478148 0.72544415 0.90927944 1
C C8 1 -0.04028934 0.45466499 0.58529349 1
C C9 1 0.54411565 0.67288708 0.74463460 1
C C10 1 1.15105691 0.51012362 0.25823335 1
C C11 1 0.52602792 0.86290630 0.58142647 1
C C12 1 0.75818855 0.46570962 0.75342815 1
C C13 1 0.47984094 0.14533059 0.20879974 1
C C14 1 0.72997583 0.98457147 0.20303130 1
C C15 1 0.43829730 0.25946564 0.01306097 1
C C16 1 0.28164616 0.53066363 0.05695624 1
C C17 1 0.20436587 0.00879979 -0.10588053 1
| -154.083797 |
6,838 | C-192684-7302-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46070000
_cell_length_b 5.70596000
_cell_length_c 8.56747000
_cell_angle_alpha 89.71497000
_cell_angle_beta 81.74516000
_cell_angle_gamma 64.44650000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 107.18301628
_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 0.22017584 0.13472500 0.59884262 1
C C1 1 1.28673476 0.74038860 0.25435173 1
C C2 1 0.02568723 -0.06528270 0.39237208 1
C C3 1 0.28976695 0.82433680 0.07932439 1
C C4 1 0.36691339 0.38111792 0.81081492 1
C C5 1 0.47396322 0.86200829 0.63712435 1
C C6 1 0.34347871 0.10337391 0.41861667 1
C C7 1 0.13750650 1.03742236 0.95583214 1
C C8 1 0.42062245 0.48116423 0.50540361 1
C C9 1 1.11626743 0.76573789 0.54711651 1
C C10 1 0.18255656 0.42643301 0.09005317 1
C C11 1 1.04926703 0.40181482 0.40607053 1
C C12 1 0.54354233 0.28944243 0.64266354 1
C C13 1 0.06751774 0.66080805 0.85075526 1
C C14 1 0.96657118 0.67680450 0.02181232 1
C C15 1 0.97346089 0.55143793 0.25773562 1
C C16 1 0.46064797 0.21232868 0.95647088 1
C C17 1 0.43261632 0.81586978 0.81039647 1
| -154.137714 |
6,108 | C-47640-4572-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16350000
_cell_length_b 6.63158000
_cell_length_c 7.42590000
_cell_angle_alpha 104.42883000
_cell_angle_beta 108.95073000
_cell_angle_gamma 116.54396000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 116.62415590
_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 -0.10682953 0.64419629 0.06367501 1
C C1 1 0.23115761 0.31393925 0.33146556 1
C C2 1 0.36668034 0.87992821 0.11509409 1
C C3 1 -0.20819897 0.09896074 0.94398672 1
C C4 1 0.79669148 0.09632442 0.31223694 1
C C5 1 0.79486502 0.09629193 0.49402767 1
C C6 1 0.14850811 0.27168808 0.71665360 1
C C7 1 0.69866753 0.54991721 0.19275826 1
C C8 1 0.36131129 0.87996079 0.92494683 1
C C9 1 0.78615604 0.10142537 0.76161513 1
C C10 1 0.96768559 0.68635919 0.42180351 1
C C11 1 0.69751998 0.55011982 0.51539969 1
C C12 1 0.22801009 0.31356070 0.14157966 1
C C13 1 -0.37872918 0.50884373 0.83454035 1
C C14 1 0.43293164 0.92567904 0.53885404 1
C C15 1 0.88993216 0.64502674 0.74066254 1
| -154.148101 |
1,476 | C-176665-1085-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.54519000
_cell_length_b 2.45047000
_cell_length_c 6.96506000
_cell_angle_alpha 68.96246000
_cell_angle_beta 102.70584000
_cell_angle_gamma 94.47529000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.55207862
_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 0.03659642 0.19493488 0.51769492 1
C C1 1 0.82568256 0.62499834 0.08076761 1
C C2 1 -0.12316888 1.02002473 0.18819484 1
C C3 1 -0.01648628 0.79970766 0.41017927 1
C C4 1 0.70879334 0.85647344 0.85096046 1
C C5 1 0.15496734 -0.03713944 0.74754010 1
| -154.073537 |
5,234 | C-106846-6379-58 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49383000
_cell_length_b 3.41833000
_cell_length_c 7.16287000
_cell_angle_alpha 117.68918000
_cell_angle_beta 80.11731000
_cell_angle_gamma 111.32887000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 50.36534048
_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 0.23955381 0.77976383 0.44919956 1
C C1 1 0.65155847 0.26434466 0.11020024 1
C C2 1 0.23834754 0.33331134 0.00429487 1
C C3 1 0.46297951 0.28154332 0.50573285 1
C C4 1 1.04956937 0.55912690 0.61046677 1
C C5 1 0.05025083 0.79653682 0.84438369 1
C C6 1 0.65275222 0.50192049 0.34413387 1
C C7 1 0.46376595 0.72811304 -0.04939695 1
| -154.080338 |
1,925 | C-141061-9666-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38236000
_cell_length_b 3.63121000
_cell_length_c 3.88833000
_cell_angle_alpha 109.63642000
_cell_angle_beta 97.23124000
_cell_angle_gamma 98.80408000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.63538629
_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 -0.16451663 0.16100327 0.75555494 1
C C1 1 0.52686595 0.00864937 0.44863579 1
C C2 1 0.33390877 0.22100204 0.25654593 1
C C3 1 0.33354733 0.60202211 0.25608877 1
C C4 1 1.02860464 0.56774340 0.94852727 1
C C5 1 1.02829204 0.94886051 -0.05194561 1
| -154.103216 |
4,629 | C-80172-9169-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52316000
_cell_length_b 4.45638000
_cell_length_c 4.81133000
_cell_angle_alpha 105.79056000
_cell_angle_beta 116.79696000
_cell_angle_gamma 82.41049000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.46452615
_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 0.54595669 0.15957782 0.13261943 1
C C1 1 -0.05552328 0.32696404 0.05603332 1
C C2 1 0.80017073 0.35840031 0.72309473 1
C C3 1 -0.05090753 0.66706595 0.23452002 1
C C4 1 0.87962160 0.69900726 0.75321034 1
C C5 1 0.61046150 0.78752789 0.43487317 1
C C6 1 0.69027313 0.12859479 0.46588290 1
C C7 1 0.54041965 0.81973134 0.95315878 1
| -154.099926 |
4,921 | C-148223-6845-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45431000
_cell_length_b 3.34014000
_cell_length_c 7.43769000
_cell_angle_alpha 96.83569000
_cell_angle_beta 80.51611000
_cell_angle_gamma 111.64370000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 55.78586401
_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 0.37862121 0.25400581 0.26776386 1
C C1 1 0.69358134 0.50643711 0.89235214 1
C C2 1 1.06538312 0.34153201 0.98226366 1
C C3 1 -0.05968317 0.94481679 0.83669589 1
C C4 1 0.56575925 0.10657584 0.74573819 1
C C5 1 0.24572438 0.17977406 0.45848046 1
C C6 1 0.94306244 0.29244847 0.17773141 1
C C7 1 0.68472553 0.14768450 0.54934079 1
| -154.195081 |
2,382 | C-134185-1570-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.53302000
_cell_length_b 3.76709000
_cell_length_c 5.05308000
_cell_angle_alpha 90.18822000
_cell_angle_beta 89.93273000
_cell_angle_gamma 90.02430000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.21676933
_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 0.26112405 0.46710840 0.88902437 1
C C1 1 0.26088181 0.59206655 0.61243897 1
C C2 1 0.26231299 0.78990365 1.07339362 1
C C3 1 0.26103910 -0.01919131 0.61309149 1
C C4 1 0.76172195 0.48511373 0.45250710 1
C C5 1 0.26144467 1.11071522 0.88944909 1
C C6 1 0.76217241 0.78852851 0.24394957 1
C C7 1 0.76191460 0.08700846 0.45356747 1
| -154.124994 |
1,628 | C-170350-1491-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.89193000
_cell_length_b 3.63568000
_cell_length_c 4.81714000
_cell_angle_alpha 112.13133000
_cell_angle_beta 91.52214000
_cell_angle_gamma 109.54268000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.53307970
_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 0.70163038 0.72400598 0.85789642 1
C C1 1 -0.29782521 0.31742569 0.66632143 1
C C2 1 0.69930823 0.10344776 0.85702254 1
C C3 1 0.70708702 0.37963692 0.16656695 1
C C4 1 0.70510438 0.75924578 0.16568470 1
C C5 1 0.70430761 0.16583897 0.35738166 1
| -154.120196 |
1,088 | C-13919-5282-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48142000
_cell_length_b 3.68913000
_cell_length_c 4.21757000
_cell_angle_alpha 104.75273000
_cell_angle_beta 90.01785000
_cell_angle_gamma 109.65849000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00283320
_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 0.67821012 0.81144005 0.56182655 1
C C1 1 0.09987222 0.65435676 0.69260759 1
C C2 1 0.55410401 0.56879775 0.18892393 1
C C3 1 0.35711830 0.17092157 0.26431797 1
C C4 1 0.87616290 0.20905047 0.48614455 1
C C5 1 1.13238525 0.72540359 1.05798801 1
| -154.310941 |
5,923 | C-40142-1323-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45570000
_cell_length_b 3.77936000
_cell_length_c 11.54643000
_cell_angle_alpha 70.58146000
_cell_angle_beta 83.79245000
_cell_angle_gamma 108.91764000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 92.76503623
_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 0.52529009 0.14904635 0.84135706 1
C C1 1 0.63190446 0.15111131 0.62529888 1
C C2 1 0.05921740 0.43655445 0.05979246 1
C C3 1 0.67527996 0.61677273 0.00698987 1
C C4 1 0.47761287 0.73456848 0.52009246 1
C C5 1 0.73134364 0.43449971 0.70857200 1
C C6 1 0.34186924 0.34683193 0.40738388 1
C C7 1 -0.00121380 0.61034622 0.35674361 1
C C8 1 0.38819449 0.69773220 0.65784930 1
C C9 1 1.25234291 0.30981726 0.54521061 1
C C10 1 0.82021451 0.07038035 0.16969313 1
C C11 1 0.09853515 0.89329756 0.44008840 1
C C12 1 0.20922324 -0.09970391 0.22431399 1
C C13 1 0.91421323 -0.01923434 0.89645803 1
| -154.232794 |
6,304 | C-184031-5230-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.72975000
_cell_length_b 5.26467000
_cell_length_c 4.15698000
_cell_angle_alpha 119.97944000
_cell_angle_beta 120.20251000
_cell_angle_gamma 65.41099000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.62701544
_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 0.24114828 0.11627846 0.49420388 1
C C1 1 0.62345620 0.11659519 -0.12368359 1
C C2 1 0.18291860 0.61455610 0.93419928 1
C C3 1 0.02909297 0.92480118 0.08925035 1
C C4 1 0.97152464 0.42327241 0.52943332 1
C C5 1 0.58910802 0.42304316 0.14748435 1
| -154.128136 |
8,532 | C-53814-5771-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43012000
_cell_length_b 3.15786000
_cell_length_c 5.78706000
_cell_angle_alpha 86.48266000
_cell_angle_beta 97.24274000
_cell_angle_gamma 80.87747000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.34794677
_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 0.28813926 0.69237909 0.38684922 1
C C1 1 0.95510545 0.35792594 0.72021842 1
C C2 1 0.62116668 0.02818304 1.05415326 1
C C3 1 0.06462165 0.13967443 0.94288854 1
C C4 1 0.73170914 0.80277863 0.27532971 1
C C5 1 0.39850103 0.46912586 0.60866176 1
| -154.454617 |
3,394 | C-170374-5689-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.23382000
_cell_length_b 2.46965000
_cell_length_c 5.18445000
_cell_angle_alpha 90.01236000
_cell_angle_beta 90.71962000
_cell_angle_gamma 67.57277000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 38.26993949
_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 0.31387897 0.74679074 0.61981973 1
C C1 1 1.03686251 0.38500470 0.62044853 1
C C2 1 0.68020978 0.56218800 0.83904981 1
C C3 1 0.67933641 0.06251259 0.99174627 1
C C4 1 0.66979890 0.06776836 0.24860405 1
C C5 1 0.66971933 0.56805481 0.40129041 1
| -154.257138 |
9,799 | C-76016-983-51 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52410000
_cell_length_b 4.20635000
_cell_length_c 4.98690000
_cell_angle_alpha 82.59299000
_cell_angle_beta 108.62327000
_cell_angle_gamma 107.05069000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.93299756
_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 -0.29052803 0.73172225 0.77146150 1
C C1 1 0.67527520 0.16889770 1.02877415 1
C C2 1 0.25769321 0.18568887 0.52010330 1
C C3 1 0.35892262 0.97139806 0.77540437 1
C C4 1 0.95284686 1.01579615 0.27553177 1
C C5 1 0.43770191 0.54826629 0.49208504 1
C C6 1 0.72410881 0.50861454 1.02718392 1
C C7 1 0.88565481 0.65584243 0.30713986 1
| -154.111304 |
2,151 | C-177224-1603-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43220000
_cell_length_b 4.63043000
_cell_length_c 5.84986000
_cell_angle_alpha 112.80374000
_cell_angle_beta 78.78579000
_cell_angle_gamma 106.46516000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.97445549
_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 0.55357834 0.75877648 0.80174402 1
C C1 1 0.30348467 0.00863195 0.55157507 1
C C2 1 0.97076972 0.67589910 0.88597654 1
C C3 1 0.47082986 0.17618795 0.38611742 1
C C4 1 0.80342681 0.50836782 1.05144361 1
C C5 1 0.05361907 0.25904272 0.30189269 1
C C6 1 0.72097817 0.92672981 0.63655555 1
C C7 1 1.22096536 0.42664488 0.13649350 1
| -154.46749 |
10,022 | C-53804-8031-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47848000
_cell_length_b 2.47793000
_cell_length_c 6.31279000
_cell_angle_alpha 78.67388000
_cell_angle_beta 78.67739000
_cell_angle_gamma 59.98557000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.69670139
_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 0.69365649 0.39426492 0.51749043 1
C C1 1 0.33142841 0.03372330 0.60177887 1
C C2 1 0.24611521 0.95087959 0.85275560 1
C C3 1 0.77690651 0.47754492 0.26635138 1
C C4 1 0.55148234 0.25629706 0.93580725 1
C C5 1 0.47014114 0.17283530 0.18289907 1
| -154.5291 |
5,503 | C-130532-5775-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48102000
_cell_length_b 3.68833000
_cell_length_c 4.21877000
_cell_angle_alpha 75.14866000
_cell_angle_beta 90.02582000
_cell_angle_gamma 70.36171000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98568740
_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 1.31073488 0.32347115 0.19509351 1
C C1 1 0.11411769 0.72123752 0.27067745 1
C C2 1 0.63369544 0.68238311 0.49264555 1
C C3 1 -0.14236006 0.23679585 0.69902694 1
C C4 1 0.88883486 0.16702806 0.06419420 1
C C5 1 0.43618009 1.07957432 0.56845016 1
| -154.310098 |
8,972 | C-172955-2457-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44531000
_cell_length_b 3.35432000
_cell_length_c 9.44276000
_cell_angle_alpha 82.51617000
_cell_angle_beta 82.52746000
_cell_angle_gamma 68.58981000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 71.20749043
_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 1.03391879 0.89431802 0.22911698 1
C C1 1 0.17458016 0.05815873 0.78262812 1
C C2 1 0.40977294 0.62345773 0.74519876 1
C C3 1 0.55087927 0.63620619 0.44544254 1
C C4 1 1.02885955 0.05618058 0.08237389 1
C C5 1 0.54344456 0.80305793 0.29938259 1
C C6 1 0.02136239 0.47431747 0.67197006 1
C C7 1 0.56302458 0.20708468 0.85576662 1
C C8 1 0.52851098 0.12816505 0.01087021 1
C C9 1 0.05263710 0.56080732 0.51694034 1
| -154.230491 |
5,431 | C-170869-294-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67809000
_cell_length_b 4.31063000
_cell_length_c 4.66594000
_cell_angle_alpha 93.28776000
_cell_angle_beta 103.68720000
_cell_angle_gamma 136.90955000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.57861895
_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 0.71011681 0.77752086 0.88029786 1
C C1 1 0.02187826 0.77703947 0.87530936 1
C C2 1 0.46815560 0.77600764 0.63800426 1
C C3 1 0.70499459 0.77681818 0.19194978 1
C C4 1 0.47140477 0.77430977 0.32516494 1
C C5 1 0.15605041 -0.22398744 0.64274068 1
C C6 1 0.99523399 0.77572119 0.35280192 1
C C7 1 0.18156877 0.77585634 0.16484060 1
| -154.210836 |
8,160 | C-189703-1540-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42835000
_cell_length_b 3.03874000
_cell_length_c 5.89306000
_cell_angle_alpha 94.39369000
_cell_angle_beta 102.19401000
_cell_angle_gamma 89.53471000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.37813663
_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 0.97160407 0.60368942 0.36019456 1
C C1 1 0.30493550 0.27025303 1.02689478 1
C C2 1 0.52851927 -0.28939501 0.47299423 1
C C3 1 0.86182167 0.37734952 0.13964313 1
C C4 1 0.63830333 -0.06324172 0.69359756 1
C C5 1 0.19520256 1.04379505 0.80637384 1
| -154.432713 |
2,342 | C-176639-8613-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21199000
_cell_length_b 2.61841000
_cell_length_c 6.51801000
_cell_angle_alpha 58.49092000
_cell_angle_beta 75.34714000
_cell_angle_gamma 89.52307000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.62049605
_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 0.61756245 0.24223041 0.03400944 1
C C1 1 0.41378333 -0.05198602 0.50364094 1
C C2 1 0.36349723 0.21237164 0.24935854 1
C C3 1 0.22568401 0.27883323 0.62935808 1
C C4 1 1.02270047 -0.02628271 0.29029771 1
C C5 1 0.16052367 0.90703674 0.91040303 1
C C6 1 0.46693612 0.79273089 -0.00175683 1
C C7 1 0.76863587 0.94373695 0.50578606 1
C C8 1 -0.08023278 0.39373186 0.54107692 1
C C9 1 0.97252242 0.23754750 0.03613161 1
| -154.072323 |
8,106 | C-34611-1398-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43056000
_cell_length_b 5.57037000
_cell_length_c 4.20173000
_cell_angle_alpha 87.90743000
_cell_angle_beta 90.01447000
_cell_angle_gamma 88.42175000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.82817262
_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 0.94924623 0.48998648 0.55952939 1
C C1 1 0.44919871 0.49016688 0.39218510 1
C C2 1 -0.05202259 -0.01689110 0.82043234 1
C C3 1 0.94792988 0.98328930 0.15308806 1
C C4 1 0.44797741 -0.01689110 0.32043234 1
C C5 1 0.44924623 0.48998648 0.05952939 1
C C6 1 0.44792988 -0.01671070 0.65308806 1
C C7 1 -0.05080129 0.49016688 0.89218510 1
| -154.441554 |
2,473 | C-57140-5474-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48095000
_cell_length_b 4.84162000
_cell_length_c 7.37834000
_cell_angle_alpha 57.36753000
_cell_angle_beta 70.34174000
_cell_angle_gamma 75.17369000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 69.97635888
_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 0.45550496 0.99470710 0.93603853 1
C C1 1 -0.22313623 0.69730844 0.26421067 1
C C2 1 1.03389227 0.12575115 0.29220901 1
C C3 1 0.77686377 0.69730844 0.76421067 1
C C4 1 0.25746068 0.91941535 0.17274407 1
C C5 1 -0.42499183 0.62152560 1.00095243 1
C C6 1 0.25746068 0.91941535 0.67274407 1
C C7 1 0.45550496 -0.00529290 0.43603853 1
C C8 1 0.99704356 0.49065991 0.14484199 1
C C9 1 0.57500817 0.62152560 0.50095243 1
C C10 1 1.03389227 0.12575115 0.79220901 1
C C11 1 0.99704356 0.49065991 0.64484199 1
| -154.309286 |
213 | C-145305-3527-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43165000
_cell_length_b 6.00234000
_cell_length_c 4.20125000
_cell_angle_alpha 71.24365000
_cell_angle_beta 89.99552000
_cell_angle_gamma 100.66812000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.94256953
_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 0.44122526 0.51144289 0.10577327 1
C C1 1 -0.05874836 0.51155292 0.27297508 1
C C2 1 0.68960421 0.01127362 0.56283122 1
C C3 1 0.18960421 1.01127362 1.06283122 1
C C4 1 0.94122526 0.51144289 0.60577327 1
C C5 1 0.18965954 0.01150587 0.72997032 1
C C6 1 0.68965954 1.01150587 0.22997032 1
C C7 1 0.44125164 0.51155292 0.77297508 1
| -154.444678 |
10,137 | C-96696-5300-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68138000
_cell_length_b 4.86006000
_cell_length_c 4.86160000
_cell_angle_alpha 79.33420000
_cell_angle_beta 76.94078000
_cell_angle_gamma 57.89880000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 71.55503419
_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 0.72860015 0.72383087 0.02621575 1
C C1 1 0.85269841 0.55561000 0.27183714 1
C C2 1 0.63093254 0.70035485 0.54791861 1
C C3 1 0.65220031 0.25105757 0.85108693 1
C C4 1 1.09080309 0.20566350 0.80183442 1
C C5 1 0.39871075 0.52377382 0.70127602 1
C C6 1 0.19810473 0.22144805 0.28066828 1
C C7 1 0.32254858 1.05309257 0.52628648 1
C C8 1 0.41999015 0.07541201 1.00582102 1
C C9 1 -0.04028521 0.56947094 0.75230125 1
| -154.089708 |
8,384 | C-157674-4910-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47264000
_cell_length_b 3.23497000
_cell_length_c 6.09932000
_cell_angle_alpha 58.21275000
_cell_angle_beta 78.25087000
_cell_angle_gamma 67.44619000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 38.29850830
_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 0.73371188 0.25645466 0.73511902 1
C C1 1 0.05135086 0.24938356 0.10701656 1
C C2 1 0.37353384 0.97814128 0.73529105 1
C C3 1 0.55180461 0.40193063 0.95384282 1
C C4 1 0.55440790 0.83323705 0.51621572 1
C C5 1 0.05495421 0.98527761 0.36326243 1
| -154.254936 |
5,980 | C-152569-5742-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10828000
_cell_length_b 5.66528000
_cell_length_c 4.71734000
_cell_angle_alpha 50.33595000
_cell_angle_beta 60.87089000
_cell_angle_gamma 41.09787000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.03231001
_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 0.89382657 0.61331438 0.04371198 1
C C1 1 0.22614569 -0.05346648 1.04356551 1
C C2 1 0.89382882 0.94664747 0.37704144 1
C C3 1 0.22613877 0.27985900 0.37689535 1
C C4 1 0.22614345 0.61320043 0.71023606 1
C C5 1 0.89383349 0.27998890 0.71038214 1
| -154.398512 |
3,758 | C-136208-4716-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46798000
_cell_length_b 3.37759000
_cell_length_c 5.74881000
_cell_angle_alpha 78.60036000
_cell_angle_beta 64.81469000
_cell_angle_gamma 67.94368000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.15086486
_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 0.33260165 1.01766111 0.64356124 1
C C1 1 1.02037163 0.09461320 0.91766035 1
C C2 1 0.29839966 -0.12183446 0.24736796 1
C C3 1 1.01016466 0.70614471 0.12249053 1
C C4 1 0.98163604 0.96277195 0.52076089 1
C C5 1 0.30893407 0.26557809 1.04267184 1
| -154.13428 |
4,040 | C-9601-1359-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47494000
_cell_length_b 4.29226000
_cell_length_c 4.81393000
_cell_angle_alpha 63.39262000
_cell_angle_beta 74.93643000
_cell_angle_gamma 89.62295000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.79326827
_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 0.80001176 0.67319100 0.71447529 1
C C1 1 -0.01276993 0.86025649 0.34031546 1
C C2 1 0.05139502 0.25639702 0.21451422 1
C C3 1 1.23827227 0.44324199 0.84036362 1
C C4 1 1.30019099 0.17332346 0.71445775 1
C C5 1 0.73843489 -0.05665274 0.84026680 1
C C6 1 0.48750715 0.36029973 0.34026688 1
C C7 1 0.55143385 0.75645704 0.21442238 1
| -154.533828 |
8,622 | C-141051-6029-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43200000
_cell_length_b 3.18821000
_cell_length_c 6.41462000
_cell_angle_alpha 69.84652000
_cell_angle_beta 79.09174000
_cell_angle_gamma 69.00514000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.46918938
_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 0.65661640 0.28943877 0.15124235 1
C C1 1 0.54678397 0.28748704 0.37341663 1
C C2 1 0.88025904 0.28714065 0.70689684 1
C C3 1 0.32358328 0.28833589 0.81843781 1
C C4 1 -0.01040559 1.29001831 0.48455104 1
C C5 1 0.21402610 0.28565845 1.04073663 1
| -154.458721 |
6,515 | C-189738-7344-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42669000
_cell_length_b 4.22453000
_cell_length_c 4.22882000
_cell_angle_alpha 93.62672000
_cell_angle_beta 90.02538000
_cell_angle_gamma 90.07309000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.26541445
_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 0.55017576 0.77928629 0.03527210 1
C C1 1 -0.44993459 0.42925571 -0.02538252 1
C C2 1 1.05042762 -0.13974822 0.54284751 1
C C3 1 0.05022013 0.92173178 0.89291601 1
C C4 1 0.04987448 0.27209060 0.95270080 1
C C5 1 0.55039900 0.84040705 0.38586769 1
| -154.299271 |
476 | C-126181-8319-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47533000
_cell_length_b 4.24805000
_cell_length_c 4.24932000
_cell_angle_alpha 51.94820000
_cell_angle_beta 90.03094000
_cell_angle_gamma 89.97144000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.18576142
_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 0.50389385 0.85079899 0.42569343 1
C C1 1 0.00388414 0.89732375 0.88000036 1
C C2 1 0.50388577 1.00776661 -0.00910865 1
C C3 1 1.00376467 1.05420667 0.44522963 1
C C4 1 0.00434291 0.46252193 1.03681831 1
C C5 1 0.50397005 0.44273715 0.83385092 1
| -154.284727 |
1,627 | C-73657-5503-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04099000
_cell_length_b 4.21067000
_cell_length_c 4.85496000
_cell_angle_alpha 90.12436000
_cell_angle_beta 107.24257000
_cell_angle_gamma 74.83846000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.11361719
_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 0.01853325 0.14862693 0.45715872 1
C C1 1 1.01853222 0.64861668 0.70715392 1
C C2 1 0.01414684 -0.01723175 0.70617721 1
C C3 1 0.01851391 0.64861837 0.20719348 1
C C4 1 0.01415687 0.48277830 0.95620204 1
C C5 1 0.01851475 0.14859128 -0.04281090 1
C C6 1 1.01416328 0.48276403 0.45620572 1
C C7 1 1.01415257 -0.01724134 0.20621962 1
| -154.441101 |
7,307 | C-72742-3701-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48204000
_cell_length_b 4.57918000
_cell_length_c 3.73922000
_cell_angle_alpha 89.97605000
_cell_angle_beta 89.99496000
_cell_angle_gamma 57.17996000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.71508317
_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 0.49572995 0.48698580 0.54117963 1
C C1 1 0.99554094 0.48720010 0.77059568 1
C C2 1 0.79156176 0.19183824 0.27462988 1
C C3 1 0.70207776 0.78257819 0.03726687 1
C C4 1 0.20217474 0.78236292 0.27433804 1
C C5 1 0.29142225 0.19205055 0.03755209 1
| -154.155511 |
3,932 | C-136223-1797-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48130000
_cell_length_b 3.68819000
_cell_length_c 4.21722000
_cell_angle_alpha 75.08580000
_cell_angle_beta 90.05618000
_cell_angle_gamma 109.62519000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.97218271
_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 0.92559316 0.80404776 0.20986277 1
C C1 1 0.44563547 0.84410133 0.98738970 1
C C2 1 0.12274904 0.20128760 0.28553013 1
C C3 1 0.24363209 0.44633920 0.91169341 1
C C4 1 0.70155044 0.35854771 0.41610488 1
C C5 1 0.66561619 0.28981089 0.78100401 1
| -154.309106 |
2,395 | C-130503-1906-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27646000
_cell_length_b 3.26844000
_cell_length_c 3.63515000
_cell_angle_alpha 75.44362000
_cell_angle_beta 75.37827000
_cell_angle_gamma 80.78443000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.26376724
_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 -0.08691582 0.41118627 0.86385491 1
C C1 1 0.64739233 0.46694518 0.24545133 1
C C2 1 0.70112300 0.19993691 0.62718265 1
C C3 1 1.06178788 0.83813920 0.62660874 1
C C4 1 0.27496238 0.04943890 -0.13694692 1
C C5 1 0.32943774 0.78266334 0.24490259 1
| -154.206675 |
5,830 | C-96686-8751-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46089000
_cell_length_b 3.39600000
_cell_length_c 6.03671000
_cell_angle_alpha 109.54011000
_cell_angle_beta 101.77408000
_cell_angle_gamma 111.23956000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.16559893
_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 0.86358085 0.46228099 0.39635548 1
C C1 1 0.49169120 0.91669120 0.20121287 1
C C2 1 0.33305455 0.52855696 0.26976177 1
C C3 1 0.71891881 0.77210925 0.79878825 1
C C4 1 0.96176768 -0.01675480 0.07462491 1
C C5 1 0.10718901 0.67339060 0.67224742 1
| -154.156053 |
4,205 | C-176637-1600-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.71578000
_cell_length_b 6.82726000
_cell_length_c 5.60707000
_cell_angle_alpha 41.80272000
_cell_angle_beta 82.23269000
_cell_angle_gamma 74.49499000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 66.44254551
_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 0.56237974 0.09933875 0.25690984 1
C C1 1 1.09406599 0.40083975 0.51157140 1
C C2 1 0.61032951 0.60547050 0.72622140 1
C C3 1 0.30190340 0.52186854 0.18960018 1
C C4 1 0.17943012 0.06418664 0.88279609 1
C C5 1 0.30021793 0.84081493 0.88258739 1
C C6 1 0.71740287 -0.02487620 0.11772233 1
C C7 1 0.49723516 0.38669346 0.07678563 1
C C8 1 0.46549734 0.88032823 0.60768506 1
C C9 1 0.82934435 0.63277809 0.46793107 1
| -154.067217 |
9,707 | C-194771-8449-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45261000
_cell_length_b 7.41386000
_cell_length_c 9.06936000
_cell_angle_alpha 71.26803000
_cell_angle_beta 77.16121000
_cell_angle_gamma 87.74591000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C22
_cell_volume 152.17966070
_cell_formula_units_Z 22
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.96469069 0.40107151 0.15355873 1
C C1 1 0.64785609 0.15797373 0.49880623 1
C C2 1 0.06571534 0.32114360 0.00641207 1
C C3 1 0.20500171 0.23740307 0.42764430 1
C C4 1 0.38528985 0.30855999 0.24895454 1
C C5 1 0.25380016 0.75667439 0.93889403 1
C C6 1 0.19899101 0.95640807 -0.04192559 1
C C7 1 0.53187734 -0.01415121 0.62878861 1
C C8 1 0.50702918 0.65402080 0.19227829 1
C C9 1 0.56604615 0.19575645 0.03822532 1
C C10 1 0.91361355 1.00808960 0.27310638 1
C C11 1 0.41352262 0.70724332 0.33949721 1
C C12 1 1.06893629 0.62149324 0.11782672 1
C C13 1 0.68596566 0.46093194 0.75355064 1
C C14 1 -0.09166573 0.82071515 0.32378181 1
C C15 1 0.33896762 0.56815417 0.50497258 1
C C16 1 1.13358062 0.43475098 0.83572026 1
C C17 1 0.84179360 0.76085893 0.84608378 1
C C18 1 -0.01919405 -0.10081276 0.69321442 1
C C19 1 0.78467112 0.53153459 0.58533204 1
C C20 1 0.67369891 0.03805707 0.97169865 1
C C21 1 0.44089918 0.11457276 0.22019407 1
| -154.077195 |
2,995 | C-177254-1749-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44265000
_cell_length_b 4.19818000
_cell_length_c 6.50122000
_cell_angle_alpha 70.82210000
_cell_angle_beta 79.19783000
_cell_angle_gamma 89.93987000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 61.72058391
_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 0.84782938 0.68311033 0.43776106 1
C C1 1 0.18449049 0.70850177 0.77199141 1
C C2 1 0.63025066 0.71589908 0.87819522 1
C C3 1 0.30244884 0.79095352 0.52729619 1
C C4 1 -0.17701986 0.31759476 0.47899002 1
C C5 1 -0.02927572 0.76473018 0.19316422 1
C C6 1 1.31737023 0.15551382 0.48870641 1
C C7 1 0.52564259 -0.24148665 0.08661827 1
| -154.222553 |
4,450 | C-136241-2721-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44222000
_cell_length_b 4.04697000
_cell_length_c 6.87030000
_cell_angle_alpha 65.83762000
_cell_angle_beta 66.07645000
_cell_angle_gamma 78.05999000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.56338572
_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 0.50932312 0.88603055 0.50554243 1
C C1 1 -0.00197411 0.45921450 0.30361483 1
C C2 1 0.69277730 0.50964265 0.52309641 1
C C3 1 0.93814483 0.57502010 -0.07157361 1
C C4 1 0.60337064 0.63568238 0.15652877 1
C C5 1 0.62558355 0.19035048 0.73368556 1
C C6 1 0.48371716 0.32968462 0.92888296 1
C C7 1 0.17372807 -0.05411492 0.73378526 1
C C8 1 0.11379666 0.06438401 0.35811221 1
C C9 1 0.41904367 1.01285642 0.13898758 1
| -154.125382 |
429 | C-157681-4063-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42973000
_cell_length_b 2.42959000
_cell_length_c 8.46884000
_cell_angle_alpha 81.28734000
_cell_angle_beta 82.93415000
_cell_angle_gamma 59.99201000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.72746620
_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 0.79381115 0.81771820 0.52324040 1
C C1 1 0.53215244 0.61945598 0.19063189 1
C C2 1 0.19867818 0.28620802 0.19055954 1
C C3 1 0.96669243 0.06434288 0.85678779 1
C C4 1 0.29958368 0.39750681 0.85756604 1
C C5 1 0.12709212 0.15094931 0.52334345 1
| -154.459003 |
7,700 | C-176639-8613-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46540000
_cell_length_b 3.38157000
_cell_length_c 6.27744000
_cell_angle_alpha 56.78482000
_cell_angle_beta 78.63584000
_cell_angle_gamma 68.60657000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.76699116
_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 0.42520023 0.31879170 0.45255613 1
C C1 1 0.02264655 0.45046115 0.12699277 1
C C2 1 0.61256120 0.14578343 0.25227596 1
C C3 1 0.83579479 0.62334556 0.32726324 1
C C4 1 0.45910125 -0.02939313 0.72737538 1
C C5 1 -0.01934151 0.80052669 0.85239682 1
| -154.159897 |
6,456 | C-47662-4096-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47574000
_cell_length_b 5.39382000
_cell_length_c 4.18436000
_cell_angle_alpha 112.85048000
_cell_angle_beta 89.99499000
_cell_angle_gamma 117.32659000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 44.64874657
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.11005229 0.10343761 0.40960798 1
C C1 1 0.75234843 0.74642560 0.23110160 1
C C2 1 0.09799522 0.59163021 0.02397978 1
C C3 1 0.76506191 0.25821350 0.35700126 1
C C4 1 1.09828824 0.59187426 0.65457935 1
C C5 1 0.10989783 0.10350223 0.77944765 1
C C6 1 -0.23527093 0.25813158 -0.01329691 1
C C7 1 0.75281141 0.74700251 0.60190290 1
| -154.404171 |
7,456 | C-152577-7771-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47826000
_cell_length_b 2.47781000
_cell_length_c 6.31210000
_cell_angle_alpha 101.30509000
_cell_angle_beta 78.69138000
_cell_angle_gamma 120.00576000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.69412382
_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 0.71930304 0.25905494 0.09226531 1
C C1 1 0.63765994 0.34335588 0.33939568 1
C C2 1 0.94399911 0.03805986 0.42284303 1
C C3 1 0.86140213 0.12066890 0.67393454 1
C C4 1 0.49939154 0.48113849 0.75816110 1
C C5 1 0.41360044 0.56407453 0.00915644 1
| -154.529299 |
4,917 | C-72744-8833-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43169000
_cell_length_b 4.67416000
_cell_length_c 6.69094000
_cell_angle_alpha 99.39299000
_cell_angle_beta 83.42015000
_cell_angle_gamma 102.30707000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 73.05438747
_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 0.40961205 0.62584933 0.66760113 1
C C1 1 0.80699512 0.22644761 0.46653670 1
C C2 1 0.20642920 0.82597217 0.26674916 1
C C3 1 0.33986299 0.35878553 0.53513454 1
C C4 1 0.54377762 0.15954416 -0.06632047 1
C C5 1 1.01234411 1.02702553 0.86548346 1
C C6 1 0.60877123 0.42560049 0.06798107 1
C C7 1 0.94388442 0.76004672 0.73383471 1
C C8 1 0.73904247 -0.03998478 0.33329324 1
C C9 1 0.13972591 0.55823992 0.13578646 1
| -154.462298 |
5,367 | C-157719-2936-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.67193000
_cell_length_b 4.77604000
_cell_length_c 6.04269000
_cell_angle_alpha 94.83250000
_cell_angle_beta 113.93679000
_cell_angle_gamma 108.11665000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 89.31524298
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.03725825 0.31346503 0.16501279 1
C C1 1 0.14844205 0.15331088 0.78158789 1
C C2 1 0.40026795 0.96082850 0.82443328 1
C C3 1 0.49511252 0.48154355 0.88139821 1
C C4 1 0.12759976 0.82266301 0.28194485 1
C C5 1 0.85516239 0.17776396 0.89019638 1
C C6 1 0.79015365 0.45849728 0.77353120 1
C C7 1 0.11811951 0.12217840 0.35714244 1
C C8 1 0.52528858 0.51201732 0.30625370 1
C C9 1 0.77991845 0.52429363 0.16009575 1
C C10 1 0.24567545 0.67577673 0.83928315 1
C C11 1 0.51585145 -0.18890026 0.38229432 1
C C12 1 -0.13712467 0.10947807 0.50295144 1
C C13 1 0.60537967 0.32038680 0.49822789 1
| -154.135677 |
5,190 | C-13893-8599-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47740000
_cell_length_b 2.47800000
_cell_length_c 6.31113000
_cell_angle_alpha 101.31525000
_cell_angle_beta 101.32328000
_cell_angle_gamma 59.98433000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.67517175
_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 0.16779016 0.36869705 0.60723689 1
C C1 1 0.38734144 0.59326839 0.27591222 1
C C2 1 0.94522031 0.14567561 0.94155078 1
C C3 1 0.30522494 0.50761670 1.02504540 1
C C4 1 0.86293925 1.06235320 0.69067594 1
C C5 1 0.08250171 0.28769705 0.35954897 1
| -154.526662 |
4,654 | C-157689-1881-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52332000
_cell_length_b 4.96906000
_cell_length_c 4.66587000
_cell_angle_alpha 83.86814000
_cell_angle_beta 90.06644000
_cell_angle_gamma 89.91673000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.16831760
_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 0.78300189 0.09395594 0.32981744 1
C C1 1 0.28433085 0.64868948 0.44890091 1
C C2 1 0.78131500 0.11273650 0.65390380 1
C C3 1 0.78198963 0.83675523 0.82099975 1
C C4 1 -0.21724288 0.35217605 0.12024934 1
C C5 1 0.28394469 0.93232621 0.27779551 1
C C6 1 0.78263145 0.32995759 0.79701924 1
C C7 1 0.28266536 0.79613364 1.00134228 1
C C8 1 0.28320580 0.51388579 0.17222829 1
C C9 1 0.78370022 0.60667267 0.62937624 1
| -154.248334 |
8,913 | C-34625-2118-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33924000
_cell_length_b 3.36521000
_cell_length_c 9.54938000
_cell_angle_alpha 75.95978000
_cell_angle_beta 103.23271000
_cell_angle_gamma 83.88493000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 99.83554009
_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 0.74932519 0.40808725 0.50039604 1
C C1 1 0.91026129 0.20689482 0.83739246 1
C C2 1 0.14654306 0.98518959 0.35289509 1
C C3 1 0.26334346 0.86604212 0.09118316 1
C C4 1 0.68078323 0.93666284 0.75376170 1
C C5 1 0.88950985 0.71955571 0.58210142 1
C C6 1 0.65052991 0.28426131 0.93800206 1
C C7 1 0.32085971 -0.02341798 0.93788169 1
C C8 1 0.45947478 0.66464733 0.35359032 1
C C9 1 -0.14458340 0.25466358 0.22023302 1
C C10 1 0.93497394 0.16394468 1.09091725 1
C C11 1 0.41778662 0.69921834 0.84694945 1
C C12 1 1.10468779 0.05296808 0.49929121 1
C C13 1 0.53847535 0.06479751 0.58272239 1
C C14 1 0.01818574 0.60510743 0.75368825 1
C C15 1 0.53777556 0.58306300 0.22060609 1
| -154.131586 |
8,850 | C-193924-4401-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22298000
_cell_length_b 4.93799000
_cell_length_c 4.87189000
_cell_angle_alpha 119.60844000
_cell_angle_beta 90.03099000
_cell_angle_gamma 89.57006000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 88.32472665
_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 0.77224592 0.68119119 0.09305265 1
C C1 1 0.70432913 0.98853092 0.24657957 1
C C2 1 0.67209194 0.67111080 0.58807071 1
C C3 1 0.32645303 0.23209777 0.70891152 1
C C4 1 0.81251535 0.49861079 0.74255106 1
C C5 1 0.14966883 0.43703601 0.63027555 1
C C6 1 -0.18765144 0.49864350 0.26089391 1
C C7 1 0.31410409 0.68098381 0.59290926 1
C C8 1 0.66422774 0.17112050 0.07869155 1
C C9 1 0.14962272 0.43653926 0.31132276 1
C C10 1 0.66411831 0.17110501 0.59695948 1
C C11 1 0.32645518 0.23188042 0.02753076 1
C C12 1 0.80527216 -0.00115849 0.75182399 1
C C13 1 0.16270595 0.98777460 0.74593684 1
| -154.268083 |
7,724 | C-34600-2154-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51828000
_cell_length_b 3.51762000
_cell_length_c 4.30625000
_cell_angle_alpha 114.08889000
_cell_angle_beta 114.10333000
_cell_angle_gamma 90.01969000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.50957324
_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 0.57400101 0.06937574 0.00122169 1
C C1 1 -0.05091462 0.94382970 0.25130585 1
C C2 1 0.07400101 0.56937574 1.00122169 1
C C3 1 0.82330815 0.81851542 0.50088613 1
C C4 1 0.32330815 0.31851542 0.50088613 1
C C5 1 0.44908538 0.44382970 0.25130585 1
C C6 1 0.19862701 0.69403199 0.75110928 1
C C7 1 0.69862701 0.19403199 0.75110928 1
| -154.552196 |
4,705 | C-152583-4955-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48576000
_cell_length_b 3.95309000
_cell_length_c 5.93897000
_cell_angle_alpha 104.51631000
_cell_angle_beta 90.01770000
_cell_angle_gamma 90.00968000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.49585612
_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 0.92265546 0.59898089 0.71170060 1
C C1 1 -0.07760733 0.61578600 0.17415137 1
C C2 1 0.42317637 0.04345864 0.97895529 1
C C3 1 0.92242374 0.90651727 0.61966400 1
C C4 1 0.42192380 0.19218201 0.38042694 1
C C5 1 0.42244322 0.38131449 0.17968436 1
C C6 1 0.92182472 0.95294448 0.37461515 1
C C7 1 -0.07686388 0.80436759 -0.02666419 1
C C8 1 0.42261324 1.08820966 0.73306378 1
C C9 1 0.42255646 0.39636238 0.64223521 1
| -154.322225 |
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