Unnamed: 0
int64 2
10.1k
| material_id
stringlengths 12
16
| cif
stringlengths 939
1.86k
| energy_per_atom
float64 -154.56
-154.07
|
|---|---|---|---|
6,695 | C-113039-2678-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46658000
_cell_length_b 6.03323000
_cell_length_c 7.04160000
_cell_angle_alpha 67.47565000
_cell_angle_beta 83.34663000
_cell_angle_gamma 72.39797000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 92.26355572
_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 0.17235213 0.35752955 0.21014269 1
C C1 1 0.90547238 0.41765437 0.39853640 1
C C2 1 0.44529383 1.07695926 0.32055199 1
C C3 1 0.85160491 0.22703435 0.96548137 1
C C4 1 0.12565208 0.94656579 0.07588528 1
C C5 1 0.38482250 0.88704287 0.88743045 1
C C6 1 0.67604963 0.41188485 0.07351585 1
C C7 1 0.97433777 1.00444345 0.45458931 1
C C8 1 0.71497213 0.66146765 0.41797949 1
C C9 1 0.39052659 0.13232726 0.71121898 1
C C10 1 0.31835544 0.30033926 0.83143512 1
C C11 1 0.57780842 0.64268925 0.86912938 1
C C12 1 0.14991524 0.58636188 0.75816386 1
C C13 1 0.89621114 0.17336174 0.57393068 1
C C14 1 0.62231667 0.89208113 0.21257501 1
C C15 1 0.14171555 0.71797745 0.52910052 1
| -154.108158 |
6,642 | C-142753-3906-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.54115000
_cell_length_b 5.58095000
_cell_length_c 7.15370000
_cell_angle_alpha 90.94477000
_cell_angle_beta 84.25439000
_cell_angle_gamma 101.89856000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 98.77453945
_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 0.39538080 0.86913403 0.89247277 1
C C1 1 0.47379336 0.86482050 0.58086553 1
C C2 1 0.68180620 0.45009311 0.91990035 1
C C3 1 0.52734375 0.05059291 0.73339652 1
C C4 1 0.83220189 0.45677459 0.57649778 1
C C5 1 0.67279375 0.30014309 0.73552361 1
C C6 1 -0.04885249 0.39283456 0.38765680 1
C C7 1 0.41685408 0.97808738 0.07884758 1
C C8 1 0.96641265 0.13545936 0.11698383 1
C C9 1 0.83424245 0.71650922 0.84947434 1
C C10 1 0.84219400 0.15722930 0.32118459 1
C C11 1 0.54044866 0.93737003 0.38812958 1
C C12 1 0.35309255 0.79500610 0.23412291 1
C C13 1 0.14477225 0.54675326 0.22556686 1
C C14 1 0.12317481 0.39816106 0.04155219 1
C C15 1 0.90109989 0.71319210 0.63369145 1
| -154.152013 |
8,098 | C-34633-9015-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42585000
_cell_length_b 6.34600000
_cell_length_c 4.15468000
_cell_angle_alpha 69.09881000
_cell_angle_beta 89.79374000
_cell_angle_gamma 78.67217000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.43184702
_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 0.85793660 0.37326819 0.92940887 1
C C1 1 0.39034169 0.29922293 0.47519056 1
C C2 1 0.41684534 0.25690784 0.84815528 1
C C3 1 0.18795098 0.71738548 0.54329299 1
C C4 1 0.54152984 0.01251671 0.08752422 1
C C5 1 0.87703673 0.32869877 0.30418787 1
C C6 1 0.09121034 0.91290112 0.23117782 1
C C7 1 0.73592048 0.61820066 0.68770288 1
| -154.240879 |
4,627 | C-41290-3170-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46156000
_cell_length_b 3.35590000
_cell_length_c 4.91646000
_cell_angle_alpha 102.49379000
_cell_angle_beta 114.55404000
_cell_angle_gamma 104.46666000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 33.32280824
_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 0.57638525 0.90319406 0.44917961 1
C C1 1 0.31145389 0.76165799 0.89351657 1
C C2 1 0.60116886 0.65649901 0.68314208 1
C C3 1 0.15745878 0.17662579 0.44899426 1
C C4 1 0.75517862 0.24233752 1.12744071 1
C C5 1 0.33641850 0.51594204 0.12746167 1
| -154.204993 |
5,275 | C-40104-915-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42774000
_cell_length_b 4.23231000
_cell_length_c 5.72264000
_cell_angle_alpha 47.41924000
_cell_angle_beta 90.06135000
_cell_angle_gamma 90.04804000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.29572078
_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 0.90503388 0.59859487 0.30730418 1
C C1 1 0.40710222 0.73843918 0.73757229 1
C C2 1 -0.09302280 0.59950181 0.71922644 1
C C3 1 0.40496405 0.73756986 0.15005777 1
C C4 1 0.90608448 0.30920130 0.65859251 1
C C5 1 0.40602228 1.02856088 0.79878341 1
| -154.285474 |
1,581 | C-41310-6976-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42411000
_cell_length_b 4.20229000
_cell_length_c 4.20294000
_cell_angle_alpha 88.49032000
_cell_angle_beta 89.78590000
_cell_angle_gamma 90.25135000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.79897364
_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 0.70651143 1.02584561 0.54928107 1
C C1 1 0.70574150 0.37298541 0.60916053 1
C C2 1 0.70569453 0.96746164 0.20161880 1
C C3 1 0.20586915 0.93308590 0.04754275 1
C C4 1 0.20518412 0.87464778 0.69990970 1
C C5 1 0.20602707 0.52749535 0.64021284 1
| -154.297705 |
1,977 | C-28220-4725-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42932000
_cell_length_b 4.84018000
_cell_length_c 4.86457000
_cell_angle_alpha 75.74501000
_cell_angle_beta 60.01882000
_cell_angle_gamma 60.08619000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.94448773
_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 0.94172350 0.99730764 0.65474268 1
C C1 1 0.85063464 1.08554832 0.15861693 1
C C2 1 0.03387543 0.49266361 0.56659640 1
C C3 1 0.44317969 0.14443379 0.50662637 1
C C4 1 0.35020414 0.64864070 0.59625948 1
C C5 1 0.53280039 0.05791654 0.00239034 1
| -154.295325 |
9,697 | C-176671-1525-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.56482000
_cell_length_b 2.47958000
_cell_length_c 5.72807000
_cell_angle_alpha 102.46896000
_cell_angle_beta 89.43307000
_cell_angle_gamma 90.01773000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.56762926
_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 1.11818305 0.72011080 0.57822436 1
C C1 1 0.61397001 0.95233288 0.03811076 1
C C2 1 0.62364139 1.06708372 0.27328413 1
C C3 1 0.11511910 0.29780282 0.73255860 1
C C4 1 0.61247066 0.37922941 0.89300570 1
C C5 1 0.62339869 0.63921588 0.41754095 1
| -154.289583 |
5,715 | C-136219-6599-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45328000
_cell_length_b 6.81103000
_cell_length_c 5.59173000
_cell_angle_alpha 101.67114000
_cell_angle_beta 89.99741000
_cell_angle_gamma 68.89823000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 85.09455195
_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 0.65383866 0.50849334 0.17264395 1
C C1 1 -0.18847638 0.85054152 0.34579513 1
C C2 1 0.20454661 0.95880560 0.37473691 1
C C3 1 0.69086662 0.47446654 0.89519165 1
C C4 1 0.70768488 0.95460278 0.89188672 1
C C5 1 1.30771573 0.85405523 -0.17143587 1
C C6 1 0.33069729 0.33396125 0.82358300 1
C C7 1 -0.09897880 0.26082716 0.16197337 1
C C8 1 0.54025389 0.62413214 0.71158004 1
C C9 1 0.11661296 0.54824449 0.55698309 1
C C10 1 0.96421869 0.19986016 0.41213027 1
C C11 1 0.05268902 0.60942195 0.30685416 1
C C12 1 0.47725793 0.18469524 0.00809204 1
C C13 1 0.36422740 0.30067428 0.54514155 1
| -154.347206 |
9,614 | C-134213-109-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04508000
_cell_length_b 4.20862000
_cell_length_c 4.86853000
_cell_angle_alpha 81.62205000
_cell_angle_beta 71.49606000
_cell_angle_gamma 76.40218000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.33769345
_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 0.73758085 0.09470358 0.64426155 1
C C1 1 0.98207855 0.92929152 0.39318886 1
C C2 1 -0.01599634 0.59533173 0.39380802 1
C C3 1 1.23575206 0.09498070 0.14400084 1
C C4 1 -0.26451058 0.42865027 0.64366462 1
C C5 1 1.23382876 0.42902395 0.14338643 1
C C6 1 0.48697306 0.92842403 0.89380800 1
C C7 1 0.48884365 0.59442971 0.89442878 1
| -154.449163 |
6,915 | C-170338-1408-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43149000
_cell_length_b 3.04736000
_cell_length_c 6.41818000
_cell_angle_alpha 109.96884000
_cell_angle_beta 101.12347000
_cell_angle_gamma 80.54579000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.60722572
_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 0.37649276 0.54556065 -0.03162536 1
C C1 1 1.15505630 0.53743521 0.52218102 1
C C2 1 0.04379839 0.53649452 0.30016155 1
C C3 1 0.71055198 0.54122345 0.63462932 1
C C4 1 0.48769144 0.53972290 0.18934276 1
C C5 1 0.82078264 0.54593827 0.85711502 1
| -154.448851 |
6,643 | C-80186-3462-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47299000
_cell_length_b 3.28780000
_cell_length_c 6.91824000
_cell_angle_alpha 61.60461000
_cell_angle_beta 100.29566000
_cell_angle_gamma 112.12397000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.83913861
_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 0.67018461 0.68883945 0.69135369 1
C C1 1 0.35077502 0.73018417 1.01129187 1
C C2 1 0.48871970 0.50797756 0.51125077 1
C C3 1 0.85039563 0.22963857 0.51131892 1
C C4 1 0.17037188 0.18872612 0.19136091 1
C C5 1 0.17005222 0.54965331 0.83071294 1
C C6 1 0.98912173 0.00858309 1.01118594 1
C C7 1 0.66991812 0.04903774 0.33071965 1
| -154.327444 |
6,924 | C-92114-1640-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48194000
_cell_length_b 3.68924000
_cell_length_c 4.21535000
_cell_angle_alpha 104.73888000
_cell_angle_beta 89.97421000
_cell_angle_gamma 109.64593000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00104466
_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 0.91589878 0.49736911 0.12606960 1
C C1 1 0.65637443 0.98142871 0.55430741 1
C C2 1 0.33813199 0.34172316 0.25739316 1
C C3 1 0.87983019 0.42667546 0.76083019 1
C C4 1 0.13695943 -0.05698805 0.33192588 1
C C5 1 0.45864859 0.58402232 0.63016896 1
| -154.309538 |
2,044 | C-134223-2022-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48370000
_cell_length_b 3.82440000
_cell_length_c 5.22687000
_cell_angle_alpha 98.96565000
_cell_angle_beta 89.90859000
_cell_angle_gamma 71.02498000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.30410420
_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 0.36126193 0.49483593 0.16629317 1
C C1 1 0.56324872 1.09117920 1.10699043 1
C C2 1 -0.01255229 0.24000863 0.49351157 1
C C3 1 0.59964619 0.01769617 0.38653183 1
C C4 1 0.11207295 0.99684492 0.94216367 1
C C5 1 0.93768892 0.34625761 0.78027567 1
C C6 1 0.32521954 0.56924549 0.88690002 1
C C7 1 0.81238505 0.58950156 0.33146814 1
| -154.221924 |
1,690 | C-50241-8788-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77315000
_cell_length_b 4.58008000
_cell_length_c 6.94692000
_cell_angle_alpha 91.37930000
_cell_angle_beta 97.63212000
_cell_angle_gamma 86.01870000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 118.68796196
_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 0.54006543 0.23107408 0.76233356 1
C C1 1 0.70969236 0.51105614 0.47948293 1
C C2 1 0.64523953 0.34951415 0.11889135 1
C C3 1 0.23902315 0.74254195 0.92237104 1
C C4 1 0.08764256 0.87235385 0.60767321 1
C C5 1 0.15812077 0.88764364 0.10434475 1
C C6 1 0.34120091 0.14889148 0.39032334 1
C C7 1 1.01420780 0.75852302 0.26566849 1
C C8 1 0.87886536 0.65674741 0.63513946 1
C C9 1 0.34653771 0.17500375 0.17943720 1
C C10 1 -0.04936912 0.22563540 0.84967001 1
C C11 1 0.24251704 0.01773219 0.78397980 1
C C12 1 0.13596523 0.92583941 0.42493228 1
C C13 1 0.54802561 0.51504210 0.91801491 1
C C14 1 -0.08811802 0.56370727 0.83738127 1
C C15 1 0.77235644 0.55268588 0.28547379 1
C C16 1 0.97489539 0.18034508 0.06202672 1
C C17 1 0.51444274 0.29468699 0.54210088 1
| -154.082398 |
6,177 | C-73661-6434-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47999000
_cell_length_b 2.47997000
_cell_length_c 8.30020000
_cell_angle_alpha 81.39763000
_cell_angle_beta 81.40548000
_cell_angle_gamma 59.97432000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.53460701
_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 0.39030699 0.17595975 0.83779748 1
C C1 1 0.32870017 0.11396543 0.02382343 1
C C2 1 0.55795730 0.34344593 0.33488628 1
C C3 1 -0.02576506 0.75975079 0.08609483 1
C C4 1 0.91262963 0.69782398 0.27203600 1
C C5 1 0.80750575 0.59291675 0.58655761 1
C C6 1 0.74487172 0.53029480 0.77520102 1
C C7 1 0.49562500 0.28074177 0.52339025 1
| -154.528983 |
9,766 | C-73667-436-59 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10113000
_cell_length_b 4.42808000
_cell_length_c 4.93388000
_cell_angle_alpha 86.34029000
_cell_angle_beta 109.85463000
_cell_angle_gamma 114.88418000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.55987097
_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 0.70163679 0.68751639 -0.05614023 1
C C1 1 0.45142538 0.18731309 0.19368292 1
C C2 1 0.28471108 0.52099367 0.69414919 1
C C3 1 0.20269812 0.68738116 0.44351196 1
C C4 1 0.53457347 0.02082516 0.44408709 1
C C5 1 0.78331623 0.52074254 0.19423793 1
C C6 1 0.95278568 0.18758363 0.69368809 1
C C7 1 0.03352625 1.02089365 0.94428265 1
| -154.452098 |
7,787 | C-107774-3668-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48458000
_cell_length_b 4.67718000
_cell_length_c 4.08679000
_cell_angle_alpha 83.30648000
_cell_angle_beta 89.99600000
_cell_angle_gamma 74.54562000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.43887921
_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 0.22192781 0.26404256 0.72882366 1
C C1 1 0.95337945 0.80525393 0.79008924 1
C C2 1 0.89460805 0.92101489 0.43439487 1
C C3 1 0.11253135 0.49027722 -0.02843835 1
C C4 1 0.38093832 -0.05102840 0.90962755 1
C C5 1 0.72280073 0.26220454 0.50357458 1
C C6 1 0.61137643 0.49261777 0.19685710 1
C C7 1 0.43926136 0.83435390 0.26530095 1
| -154.367155 |
3,975 | C-176635-5996-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52533000
_cell_length_b 4.43105000
_cell_length_c 6.06282000
_cell_angle_alpha 78.21255000
_cell_angle_beta 68.79716000
_cell_angle_gamma 84.96742000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 86.42378973
_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 -0.01275908 1.08176681 0.71581355 1
C C1 1 0.55217122 1.01363703 0.89015284 1
C C2 1 0.38591940 0.51191983 0.35377403 1
C C3 1 1.03680080 0.74154411 0.69098121 1
C C4 1 0.37476865 0.53496714 0.73903111 1
C C5 1 0.09943062 0.06672788 0.29560842 1
C C6 1 0.90919274 0.18980896 0.11049505 1
C C7 1 0.52036989 0.10669345 0.11773813 1
C C8 1 1.03562135 0.74252989 0.43185367 1
C C9 1 0.20693817 0.20393169 0.85239637 1
C C10 1 0.02842102 0.27168692 0.47616792 1
C C11 1 0.60541282 0.66265540 0.87714811 1
C C12 1 0.68259483 0.51974231 0.48813418 1
C C13 1 0.59645836 0.44714027 0.10462810 1
| -154.140058 |
7,146 | C-57137-3912-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48783000
_cell_length_b 4.97577000
_cell_length_c 5.55953000
_cell_angle_alpha 102.92281000
_cell_angle_beta 116.55254000
_cell_angle_gamma 120.03838000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.49849173
_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 0.18004233 0.29427832 0.88842888 1
C C1 1 1.05406820 0.04393875 1.01308446 1
C C2 1 0.67809160 0.29361640 0.38806570 1
C C3 1 0.55367962 0.04405488 0.51350738 1
C C4 1 0.17932892 0.79388521 0.88809904 1
C C5 1 0.55296621 0.54366178 0.51317755 1
C C6 1 1.05491694 0.54432369 1.01354072 1
C C7 1 0.67894034 0.79400135 0.38852196 1
| -154.550979 |
2,405 | C-47631-7826-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48924000
_cell_length_b 6.21225000
_cell_length_c 6.22283000
_cell_angle_alpha 75.67479000
_cell_angle_beta 89.98773000
_cell_angle_gamma 78.39857000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 91.20712932
_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 0.08022035 0.39507483 0.28030399 1
C C1 1 0.30185907 0.95273650 0.15044663 1
C C2 1 0.61900269 0.32352217 0.62642263 1
C C3 1 0.65261903 0.25008342 0.28154976 1
C C4 1 0.72297025 0.10994421 0.10397935 1
C C5 1 0.38016550 0.80151421 0.77713516 1
C C6 1 0.62053968 0.32008179 0.88480514 1
C C7 1 0.71879821 0.12264535 0.52556403 1
C C8 1 -0.05762583 0.68006526 0.73004753 1
C C9 1 1.05741838 0.44459334 0.50543400 1
C C10 1 0.40079163 0.75198032 0.03533612 1
C C11 1 0.04846855 0.46317743 0.90028165 1
C C12 1 0.36825558 0.82943384 0.40266391 1
C C13 1 0.28764997 0.98674622 0.56720759 1
C C14 1 0.97981597 0.59367641 0.08610547 1
C C15 1 0.93843817 0.69027260 0.48782503 1
| -154.302889 |
3,202 | C-73657-5503-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13512000
_cell_length_b 4.15419000
_cell_length_c 5.78298000
_cell_angle_alpha 90.53391000
_cell_angle_beta 77.24076000
_cell_angle_gamma 65.50188000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 87.59349603
_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 0.92999669 0.08271603 0.10705510 1
C C1 1 0.73976772 0.90184368 0.74161664 1
C C2 1 0.65768610 0.64119499 0.40085411 1
C C3 1 0.34011652 0.96659604 0.40489771 1
C C4 1 0.41238819 0.58372808 0.09000574 1
C C5 1 0.87403200 0.59272759 0.56642687 1
C C6 1 0.27630751 0.53017534 0.90109451 1
C C7 1 0.20833414 0.91493289 0.21314415 1
C C8 1 0.95929978 0.85473265 0.90528415 1
C C9 1 0.68648852 0.41415856 0.19881644 1
C C10 1 0.19953470 0.26871001 0.56954314 1
C C11 1 0.41465732 0.22605434 0.73862614 1
| -154.212521 |
629 | C-80144-1745-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50661000
_cell_length_b 4.95051000
_cell_length_c 6.85280000
_cell_angle_alpha 93.42841000
_cell_angle_beta 86.15824000
_cell_angle_gamma 55.15191000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 69.12860454
_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 0.32303820 0.95139085 0.31634631 1
C C1 1 0.71248606 0.05134122 0.66955470 1
C C2 1 0.14805537 0.41894586 0.69358732 1
C C3 1 0.87726883 0.41944820 0.03410360 1
C C4 1 0.26066219 0.46177441 0.33486247 1
C C5 1 -0.06379449 0.88689014 0.87052848 1
C C6 1 -0.04379754 0.56904786 0.53628637 1
C C7 1 0.62592736 0.18647233 1.03274636 1
C C8 1 0.64951766 0.59450775 0.24412071 1
C C9 1 0.38253061 -0.07862800 0.54832515 1
C C10 1 0.70545599 0.65131156 0.87481550 1
C C11 1 0.66257406 0.11304202 0.25186854 1
| -154.096143 |
7,175 | C-134187-5202-60 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44173000
_cell_length_b 4.20042000
_cell_length_c 8.81505000
_cell_angle_alpha 73.04120000
_cell_angle_beta 90.01697000
_cell_angle_gamma 89.99487000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 86.47822762
_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 0.65666319 0.82058747 0.46940944 1
C C1 1 0.17461251 0.10987092 0.21273994 1
C C2 1 0.18264151 0.45335796 0.22522669 1
C C3 1 0.65955738 0.45013702 0.79365327 1
C C4 1 0.15862334 0.52642067 0.71443915 1
C C5 1 0.64982474 0.12965148 0.51584329 1
C C6 1 0.66419991 0.28044068 0.95752612 1
C C7 1 0.67391728 0.91310683 0.28209939 1
C C8 1 0.15546061 0.62397808 0.53865821 1
C C9 1 0.68272429 0.60473120 0.23504898 1
C C10 1 0.16560812 0.20576139 1.03694074 1
C C11 1 0.14981542 0.28113589 0.52525149 1
| -154.240237 |
2,029 | C-101119-9746-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48321000
_cell_length_b 5.74572000
_cell_length_c 9.96518000
_cell_angle_alpha 86.91218000
_cell_angle_beta 75.55848000
_cell_angle_gamma 77.51943000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C24
_cell_volume 134.43525621
_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 0.26548576 0.19870867 0.72244811 1
C C1 1 -0.18496837 0.86227254 0.83889923 1
C C2 1 0.28714768 0.48297699 0.05771775 1
C C3 1 0.53696960 0.15438206 0.47244528 1
C C4 1 0.04820771 0.86234020 0.60658954 1
C C5 1 0.09107161 0.71489934 0.13711756 1
C C6 1 -0.21246002 0.48278569 0.55771285 1
C C7 1 0.91959831 0.71474439 0.30762606 1
C C8 1 0.82958930 0.33521331 0.08888980 1
C C9 1 0.11501390 -0.00165079 0.47248597 1
C C10 1 1.06079676 0.33492748 0.85661743 1
C C11 1 1.34219711 0.04307621 0.22243880 1
C C12 1 0.59195888 0.71469635 0.63707418 1
C C13 1 0.95635630 0.48279477 0.38711342 1
C C14 1 -0.15671573 0.04286102 0.72240648 1
C C15 1 0.33009844 0.33499532 0.58886606 1
C C16 1 1.31414799 0.86236649 0.33888098 1
C C17 1 -0.45259857 0.86257568 1.10664975 1
C C18 1 0.61503667 0.99845238 0.97250713 1
C C19 1 1.03697998 0.15449673 0.97247132 1
C C20 1 0.42056180 0.71465569 0.80762408 1
C C21 1 0.56028110 0.33496016 0.35663672 1
C C22 1 0.76450686 0.19891581 0.22246941 1
C C23 1 0.45681883 0.48278301 0.88709759 1
| -154.444186 |
756 | C-41306-4542-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43232000
_cell_length_b 4.32921000
_cell_length_c 4.22785000
_cell_angle_alpha 97.06093000
_cell_angle_beta 97.40977000
_cell_angle_gamma 81.27328000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.39321636
_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 0.37286379 0.87283963 0.78503380 1
C C1 1 0.26196769 0.09528481 0.56404701 1
C C2 1 0.59530489 0.42859319 0.23070666 1
C C3 1 0.92863824 0.76187207 -0.10268790 1
C C4 1 0.70619324 0.20625237 0.45176871 1
C C5 1 0.03952659 0.53953125 1.11837415 1
| -154.452202 |
630 | C-142771-2182-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44321000
_cell_length_b 4.19672000
_cell_length_c 6.50111000
_cell_angle_alpha 109.99374000
_cell_angle_beta 100.79919000
_cell_angle_gamma 89.98485000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 61.38486097
_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 0.20084166 0.86524555 0.56899312 1
C C1 1 0.87171443 0.84315344 0.90499483 1
C C2 1 0.72008197 0.39303332 0.61659159 1
C C3 1 0.08109259 0.77710685 0.32270158 1
C C4 1 0.42550122 0.83346444 0.01056430 1
C C5 1 0.52809534 0.78453795 0.21661868 1
C C6 1 0.74536223 0.76015996 0.65923528 1
C C7 1 0.21446496 0.23052908 0.60622152 1
| -154.217425 |
7,365 | C-13696-4228-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48480000
_cell_length_b 4.08799000
_cell_length_c 4.67756000
_cell_angle_alpha 96.69793000
_cell_angle_beta 105.48545000
_cell_angle_gamma 90.03306000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.45156479
_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 -0.21329782 0.21894008 0.24147540 1
C C1 1 0.50025153 0.98043949 0.66912489 1
C C2 1 0.67170654 0.91275305 0.01087141 1
C C3 1 0.17289316 0.68615646 0.01282947 1
C C4 1 0.44450707 0.62488214 0.55408598 1
C C5 1 1.01655186 0.50660609 0.69796303 1
C C6 1 0.28579127 0.44370128 0.23913061 1
C C7 1 0.95723580 0.15067792 0.58302272 1
| -154.366231 |
4,882 | C-57150-429-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47608000
_cell_length_b 4.80693000
_cell_length_c 4.80735000
_cell_angle_alpha 51.64832000
_cell_angle_beta 90.25578000
_cell_angle_gamma 89.74067000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 44.86951247
_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 0.36233347 0.95311971 -0.10483345 1
C C1 1 0.86101324 1.00569367 0.68727533 1
C C2 1 0.36089197 0.58375625 1.26475038 1
C C3 1 0.86059206 0.82775375 0.50872455 1
C C4 1 0.36199523 0.61984981 0.56130977 1
C C5 1 0.86190522 0.37586259 0.31732550 1
C C6 1 0.86153419 0.19789551 0.13864458 1
C C7 1 0.36060553 0.25027742 0.93081603 1
| -154.417165 |
6,819 | C-50241-8788-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43482000
_cell_length_b 6.32951000
_cell_length_c 8.36994000
_cell_angle_alpha 77.40232000
_cell_angle_beta 98.77183000
_cell_angle_gamma 89.10460000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 124.25324164
_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 -0.02882558 0.26192981 0.85874625 1
C C1 1 0.19619893 0.01493067 0.23820952 1
C C2 1 1.10227533 0.79919733 1.04600263 1
C C3 1 0.21417617 0.40142959 0.33682066 1
C C4 1 0.82475656 0.13827061 0.55103974 1
C C5 1 0.66910641 0.35633494 0.24076753 1
C C6 1 0.19372126 -0.20894470 0.22453732 1
C C7 1 0.84603912 0.75744677 0.58483365 1
C C8 1 0.45648100 0.17354630 0.82284566 1
C C9 1 -0.43200734 0.41435620 0.05661385 1
C C10 1 0.55479086 0.83035024 0.96141942 1
C C11 1 0.69066236 0.11993914 0.23910304 1
C C12 1 0.45101949 0.95028674 0.78535284 1
C C13 1 0.31318569 0.69978393 0.52235491 1
C C14 1 0.89717404 0.93178958 0.68385686 1
C C15 1 0.29266560 0.22840214 0.49235238 1
C C16 1 0.23079445 0.62465274 0.36371097 1
C C17 1 1.02845866 0.39035945 0.97799548 1
| -154.077757 |
319 | C-184048-1268-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52073000
_cell_length_b 5.25870000
_cell_length_c 4.58386000
_cell_angle_alpha 103.32061000
_cell_angle_beta 89.94767000
_cell_angle_gamma 90.03061000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 59.12778075
_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 0.40699960 0.22730004 0.37555313 1
C C1 1 0.40685633 0.04933883 0.58084078 1
C C2 1 0.90670426 0.39753101 0.47377452 1
C C3 1 0.40607127 0.25655314 0.85801367 1
C C4 1 -0.09481476 0.90848133 -0.03341489 1
C C5 1 0.40590362 0.07967644 0.06430717 1
C C6 1 0.90626225 0.89211884 0.60589426 1
C C7 1 -0.09502120 0.65960876 0.07340041 1
C C8 1 0.90600256 0.41412109 0.83289219 1
C C9 1 -0.09383532 0.64563951 0.36462574 1
| -154.187929 |
6,912 | C-106857-1903-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.76492000
_cell_length_b 4.63398000
_cell_length_c 4.29902000
_cell_angle_alpha 80.53951000
_cell_angle_beta 105.39666000
_cell_angle_gamma 124.58557000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 59.52360950
_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 -0.18417826 0.12839308 0.57740871 1
C C1 1 0.25599250 0.75147415 1.19433558 1
C C2 1 0.89477758 0.52223881 -0.03550304 1
C C3 1 0.35382342 -0.01963697 0.42638551 1
C C4 1 0.97818905 0.97345733 0.43120665 1
C C5 1 0.51932146 0.51575965 -0.03085993 1
C C6 1 0.61747050 0.74549681 0.19986448 1
C C7 1 1.05698815 0.36753934 0.81747403 1
| -154.097729 |
4,832 | C-41270-7708-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42438000
_cell_length_b 4.32535000
_cell_length_c 4.83101000
_cell_angle_alpha 88.53038000
_cell_angle_beta 89.95232000
_cell_angle_gamma 78.84085000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 90.67242481
_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 0.65818303 0.19048459 0.45866874 1
C C1 1 0.06323596 0.75173686 0.45654744 1
C C2 1 0.68496729 0.85583757 0.96444827 1
C C3 1 0.56419305 0.71191363 0.21804288 1
C C4 1 0.70975784 0.83720334 0.46372635 1
C C5 1 0.72431392 0.33741049 0.72401728 1
C C6 1 0.59074295 0.69197509 0.71723658 1
C C7 1 1.04256392 0.87647085 -0.04848827 1
C C8 1 0.24970726 0.34828266 0.84340714 1
C C9 1 0.02450601 0.20031905 0.83690179 1
C C10 1 0.23221016 0.67247164 0.72727562 1
C C11 1 0.61217462 0.35823304 0.22286657 1
C C12 1 0.55031512 0.21124544 0.95662622 1
C C13 1 0.21095437 0.79942365 0.22271638 1
| -154.165579 |
6,777 | C-28256-8272-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51163000
_cell_length_b 4.19264000
_cell_length_c 4.11093000
_cell_angle_alpha 119.36436000
_cell_angle_beta 89.90349000
_cell_angle_gamma 107.81231000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.34065887
_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 0.10269038 0.85425216 0.43428208 1
C C1 1 0.29240900 0.24226155 0.14749038 1
C C2 1 1.10223137 0.85441982 0.10401706 1
C C3 1 0.90648430 0.46621981 0.75980487 1
C C4 1 0.29240582 0.24228181 0.77849502 1
C C5 1 0.90628732 0.46581195 0.39026599 1
| -154.228584 |
3,204 | C-177268-8621-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44210000
_cell_length_b 8.20016000
_cell_length_c 6.25806000
_cell_angle_alpha 77.34210000
_cell_angle_beta 101.27065000
_cell_angle_gamma 72.60962000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 112.01061009
_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 0.10433199 0.78687728 -0.05754275 1
C C1 1 0.52208354 0.21630526 0.62908849 1
C C2 1 0.54235279 0.95618833 0.15505539 1
C C3 1 0.62710756 0.31777865 1.04257820 1
C C4 1 0.60559593 0.58413332 0.53154669 1
C C5 1 0.88060658 0.18204869 0.27975903 1
C C6 1 0.02216516 1.01216144 0.22192867 1
C C7 1 0.24350485 0.61811042 0.88199467 1
C C8 1 0.03595286 0.33714357 0.89959299 1
C C9 1 0.58354820 0.84267059 0.00960464 1
C C10 1 0.09093843 0.46313265 0.26116965 1
C C11 1 0.37672866 0.23776417 0.38308228 1
C C12 1 0.50013130 0.48211431 0.11862067 1
C C13 1 0.74774457 0.56269488 0.77824621 1
C C14 1 0.08046594 0.56013105 0.43364290 1
C C15 1 1.04578687 0.24089577 0.72646746 1
| -154.206397 |
10,126 | C-137413-4081-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48207000
_cell_length_b 6.44153000
_cell_length_c 7.48203000
_cell_angle_alpha 86.70401000
_cell_angle_beta 70.61127000
_cell_angle_gamma 78.88209000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 110.72047046
_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 0.67210305 0.03465046 0.20023664 1
C C1 1 0.78736972 0.99789814 0.60644449 1
C C2 1 0.16797315 0.54439070 0.45127324 1
C C3 1 0.43976821 0.71941920 0.09199832 1
C C4 1 0.54099295 0.16116394 0.77134497 1
C C5 1 0.83586974 0.18584733 0.46118792 1
C C6 1 0.03133810 0.28189296 0.72034680 1
C C7 1 0.84050152 0.83894297 0.13094344 1
C C8 1 0.24921489 0.34068521 0.97006153 1
C C9 1 1.02540738 0.37686007 0.17661866 1
C C10 1 0.06054244 0.14635167 0.25512547 1
C C11 1 0.28342853 0.70552706 0.75600357 1
C C12 1 0.21885333 0.31245973 0.51487697 1
C C13 1 0.35180893 0.86931981 0.60660004 1
C C14 1 0.53423539 0.64542112 0.53488927 1
C C15 1 0.40728458 0.51025194 0.22767712 1
C C16 1 0.69742145 0.65501939 0.86715951 1
C C17 1 0.79552185 0.42428341 0.88233486 1
| -154.095454 |
238 | C-53824-8786-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26616000
_cell_length_b 3.62998000
_cell_length_c 4.23710000
_cell_angle_alpha 131.48268000
_cell_angle_beta 84.80581000
_cell_angle_gamma 104.47471000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.24412872
_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 0.08161839 0.17700252 0.54406840 1
C C1 1 0.65456779 0.08723060 0.69226470 1
C C2 1 0.29284423 0.72695331 0.33108594 1
C C3 1 0.02639230 0.29088646 0.27680449 1
C C4 1 0.71062186 0.97293045 0.95929689 1
C C5 1 0.44255153 0.53727596 0.90530049 1
| -154.201081 |
4,208 | C-184086-7799-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44285000
_cell_length_b 6.01379000
_cell_length_c 4.80560000
_cell_angle_alpha 65.82080000
_cell_angle_beta 75.21346000
_cell_angle_gamma 66.00618000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.50527857
_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 0.84390762 0.55024036 0.59075806 1
C C1 1 0.50935855 0.63646833 0.09145459 1
C C2 1 0.41749617 0.25607333 1.03498471 1
C C3 1 0.47416893 0.37187755 0.68650242 1
C C4 1 0.86035887 0.71032434 0.24155465 1
C C5 1 -0.25411460 0.18565246 0.51495175 1
C C6 1 0.56933327 0.74255865 0.75426864 1
C C7 1 0.75900771 0.34862244 0.16693293 1
C C8 1 0.59612934 0.97896202 0.23355877 1
C C9 1 0.40719794 0.01111752 0.54253638 1
| -154.186063 |
3,010 | C-76044-1310-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47153000
_cell_length_b 4.77782000
_cell_length_c 6.23666000
_cell_angle_alpha 109.38517000
_cell_angle_beta 75.14650000
_cell_angle_gamma 94.76497000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.14911159
_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 0.53263043 0.65123649 0.17573210 1
C C1 1 -0.12682389 0.19636331 0.24162808 1
C C2 1 0.26195589 0.41817081 0.77549222 1
C C3 1 0.68321501 0.99224802 0.86472777 1
C C4 1 0.83183877 0.75337468 0.62673204 1
C C5 1 0.09815237 0.97284079 -0.00157537 1
C C6 1 0.55847258 0.96239553 0.36358867 1
C C7 1 -0.04479944 0.98470323 0.50774069 1
C C8 1 0.33394401 0.56689555 0.57937484 1
C C9 1 0.39007448 0.39846072 0.30636471 1
C C10 1 0.77335791 0.23029589 0.74328897 1
C C11 1 0.11501087 0.65567307 0.02630809 1
| -154.194398 |
4,002 | C-193940-9208-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47298000
_cell_length_b 3.48730000
_cell_length_c 5.25069000
_cell_angle_alpha 81.48383000
_cell_angle_beta 98.43937000
_cell_angle_gamma 92.34125000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 62.19874791
_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 0.30467519 0.46395070 0.62061751 1
C C1 1 0.31525257 0.61362941 0.34122208 1
C C2 1 0.94405708 0.80839645 0.18337941 1
C C3 1 0.07712554 0.17425100 0.73911635 1
C C4 1 0.63655313 -0.06681218 0.34143152 1
C C5 1 0.44178595 0.30557930 0.18423870 1
C C6 1 0.74726639 0.50327482 0.03029800 1
C C7 1 0.59027221 0.65935301 0.76862938 1
C C8 1 0.78843549 0.94425863 0.62113529 1
C C9 1 0.06916114 0.18224005 1.02204176 1
| -154.246106 |
5,573 | C-136219-6599-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48092000
_cell_length_b 5.61723000
_cell_length_c 5.46499000
_cell_angle_alpha 119.11834000
_cell_angle_beta 89.99005000
_cell_angle_gamma 116.22720000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.39705763
_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 0.10918726 0.35152337 0.85353833 1
C C1 1 0.45353240 0.69601489 0.40661287 1
C C2 1 0.45384478 0.69630338 0.11437385 1
C C3 1 0.47889257 0.22180585 0.66051577 1
C C4 1 0.12203554 0.86446212 0.57767212 1
C C5 1 0.22011825 -0.03705104 0.89376511 1
C C6 1 0.47884285 0.22169469 0.38539018 1
C C7 1 0.10888237 0.35109430 0.32195050 1
C C8 1 0.92406815 0.16638100 -0.00477092 1
C C9 1 1.12243523 0.86484473 0.11154459 1
| -154.340996 |
3,713 | C-177266-9827-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.43998000
_cell_length_b 3.43290000
_cell_length_c 4.17438000
_cell_angle_alpha 100.17977000
_cell_angle_beta 100.19384000
_cell_angle_gamma 93.17845000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.56203974
_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 0.24538881 0.82177241 0.67371254 1
C C1 1 0.57056675 0.62684412 0.24070838 1
C C2 1 0.46177141 -0.00323608 0.44190208 1
C C3 1 -0.05972596 0.51794693 0.44176803 1
C C4 1 0.23332058 0.28953732 0.25265870 1
C C5 1 0.13664168 0.19309413 0.87451963 1
C C6 1 0.76540423 0.30190497 0.67385582 1
C C7 1 0.47330849 0.52981069 0.86271642 1
| -154.179748 |
829 | C-96700-8739-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45613000
_cell_length_b 3.64295000
_cell_length_c 11.86363000
_cell_angle_alpha 81.83475000
_cell_angle_beta 96.95843000
_cell_angle_gamma 118.20791000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 92.41790300
_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 0.80459251 0.59293375 0.32122726 1
C C1 1 0.51972673 0.33054164 0.58914156 1
C C2 1 0.84615457 0.05315929 0.43471272 1
C C3 1 0.93154319 0.98133670 0.23502116 1
C C4 1 0.86136439 0.98596819 0.74755364 1
C C5 1 0.14730718 0.78159857 0.43655272 1
C C6 1 0.53186238 0.26148554 0.06236786 1
C C7 1 0.08506215 0.38195982 0.00769363 1
C C8 1 0.10730821 0.32135402 0.32299830 1
C C9 1 0.19768120 0.62494498 0.90500477 1
C C10 1 0.02438933 0.39461588 0.52230648 1
C C11 1 0.41474782 0.10639582 0.69301032 1
C C12 1 0.75370425 0.74883109 0.85116438 1
C C13 1 0.43549867 1.04435610 0.16772980 1
| -154.2085 |
7,029 | C-184076-5045-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47017000
_cell_length_b 4.37996000
_cell_length_c 4.80486000
_cell_angle_alpha 85.66427000
_cell_angle_beta 84.46951000
_cell_angle_gamma 88.34317000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 72.46486874
_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 0.59442193 0.72361684 -0.05546685 1
C C1 1 0.46045854 0.85987014 0.69811732 1
C C2 1 0.58622421 0.73446496 0.44518496 1
C C3 1 0.83488729 0.47799846 0.94503368 1
C C4 1 0.97305666 0.34158802 0.69942875 1
C C5 1 0.45838909 0.85969419 0.19083766 1
C C6 1 0.21260036 0.09895098 1.10028175 1
C C7 1 -0.02934230 0.34249985 0.19168221 1
C C8 1 -0.15273928 0.46779828 0.44452305 1
C C9 1 0.21366851 1.10045878 0.79267757 1
| -154.181927 |
5,181 | C-41312-2882-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43004000
_cell_length_b 2.43001000
_cell_length_c 8.45398000
_cell_angle_alpha 83.66002000
_cell_angle_beta 96.58137000
_cell_angle_gamma 120.01013000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.86160973
_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 0.71801846 0.75796450 0.35076152 1
C C1 1 0.21579716 0.28229321 0.68355433 1
C C2 1 0.02240579 0.54823327 0.01747502 1
C C3 1 0.54904630 0.94876573 0.68343243 1
C C4 1 0.35538095 0.21525549 1.01674608 1
C C5 1 0.05162593 0.42476061 0.35067802 1
| -154.459364 |
7,015 | C-126145-2991-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48782000
_cell_length_b 6.58013000
_cell_length_c 4.30589000
_cell_angle_alpha 70.87622000
_cell_angle_beta 54.69704000
_cell_angle_gamma 79.09173000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 54.35127318
_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 0.13591424 0.83789426 0.49458405 1
C C1 1 0.88554166 0.63835264 0.84464806 1
C C2 1 0.88577524 0.83789232 0.24479463 1
C C3 1 0.13587449 0.63833372 0.09431407 1
C C4 1 -0.11442226 0.23798865 0.04462103 1
C C5 1 0.13613305 1.03847604 0.89417901 1
C C6 1 0.88595420 0.03848176 0.64437465 1
C C7 1 -0.11393458 0.43819089 0.44458800 1
C C8 1 1.13610001 0.43822143 0.69447445 1
C C9 1 0.13587995 0.23797659 0.29427494 1
| -154.547124 |
5,740 | C-170368-1522-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46006000
_cell_length_b 3.39086000
_cell_length_c 6.02526000
_cell_angle_alpha 61.46503000
_cell_angle_beta 78.22174000
_cell_angle_gamma 68.85450000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.15145975
_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 0.90148190 0.47604815 0.51573722 1
C C1 1 0.53325077 0.61931686 1.11338782 1
C C2 1 0.67366839 0.86505950 0.58415431 1
C C3 1 0.04566151 0.72108543 -0.01357627 1
C C4 1 0.07644418 -0.06748864 0.71099562 1
C C5 1 0.49900755 0.40852300 0.38889651 1
| -154.15531 |
3,996 | C-136235-2385-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48162000
_cell_length_b 3.74429000
_cell_length_c 3.84197000
_cell_angle_alpha 89.99458000
_cell_angle_beta 90.00574000
_cell_angle_gamma 90.00618000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.69921951
_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 0.47261335 0.83589638 1.15217437 1
C C1 1 -0.02743390 0.33999773 0.44670932 1
C C2 1 0.47255722 0.10266902 0.44673999 1
C C3 1 0.97250876 0.34006483 0.85744560 1
C C4 1 -0.02737719 0.60681565 0.15213510 1
C C5 1 0.47248686 0.10270849 0.85748312 1
| -154.154387 |
7,106 | C-141037-8469-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46813000
_cell_length_b 3.37469000
_cell_length_c 6.15262000
_cell_angle_alpha 112.49390000
_cell_angle_beta 101.50965000
_cell_angle_gamma 111.56726000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.43479656
_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 0.24499238 0.23463465 0.17110957 1
C C1 1 -0.05448424 0.71290152 0.09259413 1
C C2 1 0.27352013 0.88660192 0.57013035 1
C C3 1 0.23313516 0.41373153 0.96791327 1
C C4 1 0.92203941 1.06198550 0.69343804 1
C C5 1 0.95743116 0.53360129 0.29573144 1
| -154.147681 |
8,297 | C-13661-7792-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45545000
_cell_length_b 4.23750000
_cell_length_c 4.62272000
_cell_angle_alpha 72.77761000
_cell_angle_beta 74.60289000
_cell_angle_gamma 89.99553000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 44.13231953
_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 0.32258060 0.10848897 0.31990740 1
C C1 1 0.41999881 0.86079647 0.84911956 1
C C2 1 0.24017515 0.49719083 0.84682549 1
C C3 1 1.00171413 1.04955219 0.68532782 1
C C4 1 0.84650456 0.59276278 0.33970771 1
C C5 1 -0.08204485 0.31847158 0.19421466 1
C C6 1 0.37671250 0.80283512 0.21431116 1
C C7 1 0.81955761 0.41289095 0.68768750 1
| -154.095894 |
8,413 | C-40097-8776-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45032000
_cell_length_b 3.83469000
_cell_length_c 4.28791000
_cell_angle_alpha 52.73264000
_cell_angle_beta 103.76976000
_cell_angle_gamma 97.37679000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.84245516
_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 0.59090443 0.95440484 0.31047016 1
C C1 1 0.08866011 0.01460645 0.75049141 1
C C2 1 0.78518225 0.74036499 0.71657503 1
C C3 1 0.28206597 0.80051412 0.15688366 1
C C4 1 0.78451771 0.35948216 0.09713338 1
C C5 1 0.08893393 0.39530054 0.36992007 1
| -154.113098 |
2 | C-141018-4458-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48212000
_cell_length_b 3.68707000
_cell_length_c 4.89634000
_cell_angle_alpha 66.96481000
_cell_angle_beta 59.49521000
_cell_angle_gamma 70.34329000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98901125
_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 0.00836592 1.19491877 0.33633737 1
C C1 1 0.32218329 0.70953004 0.76511415 1
C C2 1 0.04725959 0.10743981 0.84061534 1
C C3 1 0.33852159 0.26386986 0.97155362 1
C C4 1 1.02478322 0.74952681 0.54280221 1
C C5 1 0.29873869 0.35228601 0.46697981 1
| -154.31045 |
1,511 | C-157670-1845-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46062000
_cell_length_b 3.63260000
_cell_length_c 4.48683000
_cell_angle_alpha 73.57562000
_cell_angle_beta 95.30656000
_cell_angle_gamma 63.46737000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 33.27988141
_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 0.34979099 -0.04246940 1.00165427 1
C C1 1 0.78233347 0.81526159 0.55782051 1
C C2 1 0.65709050 0.23116929 1.00171119 1
C C3 1 0.38661969 0.71056680 0.76833948 1
C C4 1 0.81846019 0.56968825 0.32366552 1
C C5 1 0.51127177 0.29583667 0.32385643 1
| -154.201519 |
9,161 | C-152558-909-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42466000
_cell_length_b 5.65349000
_cell_length_c 6.14190000
_cell_angle_alpha 63.09265000
_cell_angle_beta 78.65774000
_cell_angle_gamma 90.12567000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 73.20943938
_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 0.33369472 0.83237061 -0.03029161 1
C C1 1 0.83302939 0.36019905 0.96876920 1
C C2 1 0.39520836 0.44971070 0.84329849 1
C C3 1 0.63826384 0.68636433 0.36086072 1
C C4 1 0.13948829 1.11212679 0.35857088 1
C C5 1 0.70235457 0.20033752 0.23284439 1
C C6 1 0.89648414 0.87296187 0.84306185 1
C C7 1 0.20164476 0.72529315 0.23448770 1
C C8 1 1.02131008 -0.13648042 0.60050476 1
C C9 1 0.51981624 0.69863670 0.60186201 1
| -154.18405 |
6,987 | C-34641-3163-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48515000
_cell_length_b 4.78095000
_cell_length_c 4.67972000
_cell_angle_alpha 76.26537000
_cell_angle_beta 74.58295000
_cell_angle_gamma 58.65697000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.44561205
_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 0.65176002 0.92047307 0.82977136 1
C C1 1 0.90173255 0.32622891 0.51780470 1
C C2 1 -0.37133812 0.10042956 0.51595283 1
C C3 1 0.95151018 0.56451821 -0.05595867 1
C C4 1 0.66422720 0.39485484 0.85814872 1
C C5 1 -0.01544606 0.85841970 0.28813139 1
C C6 1 -0.03876220 1.03903643 0.97431416 1
C C7 1 0.71181323 0.63245427 0.28547981 1
| -154.36538 |
7,515 | C-157703-910-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.62318000
_cell_length_b 4.01292000
_cell_length_c 3.43181000
_cell_angle_alpha 99.61073000
_cell_angle_beta 97.41335000
_cell_angle_gamma 109.82429000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 45.34456849
_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 0.41674484 0.88902110 0.61482668 1
C C1 1 0.82394405 0.08296435 0.80761090 1
C C2 1 0.20420950 0.08180227 0.80633468 1
C C3 1 0.47815373 0.39154143 0.11312142 1
C C4 1 0.26583486 0.58422485 0.30516031 1
C C5 1 0.85865862 0.39043630 0.11166381 1
| -154.155177 |
7,652 | C-9643-4757-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50030000
_cell_length_b 4.17479000
_cell_length_c 4.96573000
_cell_angle_alpha 63.44391000
_cell_angle_beta 112.54047000
_cell_angle_gamma 102.06499000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 59.88787020
_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 0.67993690 0.43377798 -0.03476635 1
C C1 1 0.51335023 1.10079349 0.13214987 1
C C2 1 0.01322684 0.60085386 0.13217436 1
C C3 1 1.01323771 0.10089727 0.63217439 1
C C4 1 0.17988355 0.43377945 0.46526036 1
C C5 1 0.51323079 0.60091822 0.63216875 1
C C6 1 0.68008390 0.93369520 0.46524940 1
C C7 1 0.17993838 -0.06623337 0.96528592 1
| -154.448056 |
4,339 | C-107719-7757-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48851000
_cell_length_b 4.30399000
_cell_length_c 4.97486000
_cell_angle_alpha 106.80609000
_cell_angle_beta 59.95089000
_cell_angle_gamma 106.80085000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.47766045
_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 0.71538287 0.94769072 -0.13198562 1
C C1 1 0.59016193 0.57277004 0.30579921 1
C C2 1 0.09041507 0.07273285 0.55570311 1
C C3 1 0.21518241 0.44773159 0.11810788 1
C C4 1 0.71543555 -0.05230560 0.36801178 1
C C5 1 0.09042273 0.07281419 0.05567549 1
C C6 1 0.21517475 0.44765025 0.61813551 1
C C7 1 0.59021460 0.57277372 0.80579661 1
| -154.54649 |
8,787 | C-80178-6213-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42882000
_cell_length_b 4.16615000
_cell_length_c 6.13190000
_cell_angle_alpha 69.03913000
_cell_angle_beta 78.55528000
_cell_angle_gamma 89.99828000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.61866606
_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 -0.08530468 0.71812354 0.26977098 1
C C1 1 0.00539057 0.58162213 0.08649822 1
C C2 1 0.23928591 0.75345817 0.61797351 1
C C3 1 0.55229238 0.52641227 -0.00880512 1
C C4 1 1.21639840 1.07957464 0.66243656 1
C C5 1 0.36763471 0.77328152 0.36499992 1
C C6 1 0.67988367 0.54451688 0.73858580 1
C C7 1 0.70281455 0.21982815 0.69198143 1
| -154.217976 |
5,005 | C-157701-8688-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42547000
_cell_length_b 4.21257000
_cell_length_c 4.21278000
_cell_angle_alpha 90.25931000
_cell_angle_beta 90.00062000
_cell_angle_gamma 89.98495000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.04347791
_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 0.09073430 0.81815164 0.33280519 1
C C1 1 0.59075217 0.66917820 0.18404483 1
C C2 1 1.09033741 0.75805178 0.68074360 1
C C3 1 0.09123868 0.16623396 0.27445448 1
C C4 1 0.59120432 0.32133950 0.24467427 1
C C5 1 0.59032602 0.72735541 0.83587223 1
| -154.305742 |
3,733 | C-126185-1493-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83527000
_cell_length_b 4.31057000
_cell_length_c 6.32184000
_cell_angle_alpha 125.17166000
_cell_angle_beta 117.05690000
_cell_angle_gamma 83.65777000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 74.41557161
_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 0.78550346 0.88203924 0.13807917 1
C C1 1 0.54993519 0.52258124 0.95965236 1
C C2 1 0.59223189 0.14387445 0.77040563 1
C C3 1 0.11909138 0.50410526 0.44997984 1
C C4 1 0.19661559 0.52294934 0.96010857 1
C C5 1 0.37087627 0.26181302 0.32667828 1
C C6 1 0.96559752 0.14295783 0.77186055 1
C C7 1 -0.25620523 0.26085857 0.32783784 1
C C8 1 0.21794612 0.90083995 0.64918112 1
C C9 1 0.13870650 0.88170429 0.13754554 1
| -154.085896 |
3,483 | C-172926-5427-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46111000
_cell_length_b 3.35514000
_cell_length_c 4.91480000
_cell_angle_alpha 77.51377000
_cell_angle_beta 65.41519000
_cell_angle_gamma 104.46721000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 33.28845706
_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 0.25677689 0.37866773 0.70384380 1
C C1 1 0.07842354 1.03980529 0.38218828 1
C C2 1 0.67576801 0.10533719 0.70366194 1
C C3 1 0.49709727 0.76616422 0.38221187 1
C C4 1 0.23210105 0.62556094 0.93757592 1
C C5 1 0.52167614 0.52045852 0.14801269 1
| -154.200838 |
1,818 | C-34641-3163-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47425000
_cell_length_b 4.80344000
_cell_length_c 4.94569000
_cell_angle_alpha 59.00822000
_cell_angle_beta 59.97199000
_cell_angle_gamma 75.07410000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.62483992
_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 -0.03854554 0.40419409 0.18722572 1
C C1 1 0.96145446 0.40419409 0.68722572 1
C C2 1 -0.03848554 0.77826105 1.00014171 1
C C3 1 0.29490103 0.27825819 0.41678750 1
C C4 1 0.96151446 0.77826105 0.50014171 1
C C5 1 1.29484103 -0.09580876 0.10387152 1
C C6 1 0.29484103 0.90419124 0.60387152 1
C C7 1 0.29490103 0.27825819 -0.08321250 1
| -154.523333 |
2,263 | C-184074-4085-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06910000
_cell_length_b 4.66782000
_cell_length_c 4.03432000
_cell_angle_alpha 57.28701000
_cell_angle_beta 71.11251000
_cell_angle_gamma 61.81005000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.67782798
_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 0.37248357 -0.01200025 0.39405695 1
C C1 1 0.03676984 -0.01163138 0.72536666 1
C C2 1 0.70353829 0.65511638 0.39188341 1
C C3 1 0.70554409 0.32136493 0.72737049 1
C C4 1 1.03941497 0.65453160 0.06111140 1
C C5 1 0.37059894 0.32161222 0.05903789 1
| -154.453644 |
7,190 | C-102883-8617-54 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85182000
_cell_length_b 4.33262000
_cell_length_c 6.50094000
_cell_angle_alpha 62.99720000
_cell_angle_beta 69.18148000
_cell_angle_gamma 70.73449000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 88.48206925
_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 0.16155365 0.91218251 0.05335614 1
C C1 1 0.18894933 0.56066655 0.21199369 1
C C2 1 0.90079611 0.43916918 0.41863235 1
C C3 1 1.01675152 0.07674049 0.54285791 1
C C4 1 0.80551399 0.86429243 0.75632756 1
C C5 1 0.49886663 0.25187095 0.21219048 1
C C6 1 0.33559511 0.39635965 0.72496875 1
C C7 1 -0.02361024 0.51080556 0.84873274 1
C C8 1 0.54685339 0.60882548 0.51146438 1
C C9 1 0.45102504 0.03362950 0.84841102 1
C C10 1 0.85180357 1.22110259 0.05319558 1
C C11 1 1.37563151 0.96251991 0.41845899 1
| -154.295184 |
3,114 | C-184072-584-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47833000
_cell_length_b 2.47792000
_cell_length_c 6.31262000
_cell_angle_alpha 101.31743000
_cell_angle_beta 89.99604000
_cell_angle_gamma 59.98266000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.69307135
_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 0.36385695 0.74571691 0.35010926 1
C C1 1 0.44536018 0.58182948 1.09920055 1
C C2 1 1.00214392 0.46777537 0.43365409 1
C C3 1 0.22016377 0.02702299 0.76806119 1
C C4 1 -0.08471330 0.63700461 0.68459228 1
C C5 1 1.13870417 0.19338454 1.01566223 1
| -154.528572 |
5,247 | C-72732-3061-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.60979000
_cell_length_b 3.67775000
_cell_length_c 4.64726000
_cell_angle_alpha 113.25945000
_cell_angle_beta 105.38199000
_cell_angle_gamma 90.12078000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.22341222
_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 0.50662551 0.52579099 0.75882362 1
C C1 1 0.62417612 0.95450894 0.99101251 1
C C2 1 0.90703012 0.41904656 0.54655477 1
C C3 1 0.79066926 0.61544925 0.31399656 1
C C4 1 0.79052218 0.99006623 0.31378385 1
C C5 1 0.62330280 0.32901803 -0.00910081 1
| -154.090847 |
6,739 | C-189734-3200-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31849000
_cell_length_b 3.51762000
_cell_length_c 3.51591000
_cell_angle_alpha 60.01976000
_cell_angle_beta 90.00226000
_cell_angle_gamma 90.00367000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.55038067
_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 0.15030065 0.81861886 0.25173067 1
C C1 1 0.31693881 1.05080038 0.78816358 1
C C2 1 0.65034593 -0.25314767 0.78744814 1
C C3 1 0.81684219 0.51471346 0.25101168 1
C C4 1 0.48241360 0.51499581 0.55584634 1
C C5 1 -0.01757028 0.05085486 0.48292519 1
| -154.411248 |
9,012 | C-41268-3496-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47267000
_cell_length_b 4.15483000
_cell_length_c 7.90290000
_cell_angle_alpha 93.87413000
_cell_angle_beta 89.63442000
_cell_angle_gamma 96.03382000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 80.55631133
_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 0.49752798 0.62230066 0.66434794 1
C C1 1 0.17975351 -0.01428164 0.55400964 1
C C2 1 0.84524457 0.96778420 0.96210682 1
C C3 1 0.84356855 0.12593872 0.14084195 1
C C4 1 0.33880181 0.65161009 0.15731294 1
C C5 1 0.30807962 0.16824738 0.39954447 1
C C6 1 0.36197617 0.44590006 0.82937955 1
C C7 1 0.81440527 0.22042780 0.82758579 1
C C8 1 0.86289747 0.38432332 0.39515845 1
C C9 1 -0.00304256 0.61345880 0.55076253 1
C C10 1 0.83701052 0.47464719 0.20626988 1
C C11 1 0.32771124 -0.00526220 0.22429402 1
C C12 1 0.68027101 1.00380013 0.66517273 1
C C13 1 0.33583814 0.73535698 0.96537599 1
| -154.091554 |
7,952 | C-126151-6380-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51876000
_cell_length_b 3.51761000
_cell_length_c 3.31945000
_cell_angle_alpha 89.99271000
_cell_angle_beta 89.99200000
_cell_angle_gamma 59.96424000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.56947740
_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 0.68630767 0.50032936 0.86919446 1
C C1 1 0.22240938 0.73258582 1.03596386 1
C C2 1 0.91801024 0.73221887 0.70380625 1
C C3 1 0.99031455 0.19613512 0.20376736 1
C C4 1 0.68626728 0.19563807 0.53590909 1
C C5 1 0.22239998 0.42762916 0.36925948 1
| -154.412459 |
1,059 | C-104328-2692-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43249000
_cell_length_b 7.19615000
_cell_length_c 9.62593000
_cell_angle_alpha 73.04730000
_cell_angle_beta 82.71490000
_cell_angle_gamma 99.77468000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C22
_cell_volume 156.03305966
_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 0.36194290 0.45851552 0.36914974 1
C C1 1 0.82272622 0.48835159 0.43230341 1
C C2 1 0.67523249 0.73013369 0.77611917 1
C C3 1 0.38052843 0.17444594 0.68450343 1
C C4 1 0.80252747 0.93637254 0.30476185 1
C C5 1 0.27857841 0.88017166 0.09938796 1
C C6 1 1.11820367 0.62103632 0.75426025 1
C C7 1 0.23459869 -0.17976412 0.97121404 1
C C8 1 0.29022069 0.93692826 0.37820735 1
C C9 1 0.28328597 0.87644343 0.54057900 1
C C10 1 0.01224740 0.36901813 1.17671359 1
C C11 1 -0.21551941 -0.09396226 0.16484640 1
C C12 1 0.46871444 0.39793709 1.24098549 1
C C13 1 -0.27150792 0.78896794 0.90918576 1
C C14 1 0.69592829 0.33026974 0.96597602 1
C C15 1 0.78042212 0.91621842 0.61986318 1
C C16 1 0.90995629 0.39491852 0.80298560 1
C C17 1 0.44880637 0.35678581 0.72235656 1
C C18 1 0.68665441 0.54292409 0.56817101 1
C C19 1 0.13692179 0.33279849 0.03879418 1
C C20 1 0.21485794 0.65124760 0.59123077 1
C C21 1 0.85822733 0.09998731 0.65597386 1
| -154.18484 |
4,000 | C-40140-2962-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46144000
_cell_length_b 3.35647000
_cell_length_c 4.91491000
_cell_angle_alpha 102.49314000
_cell_angle_beta 114.55896000
_cell_angle_gamma 104.48230000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 33.31025063
_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 -0.31697752 0.73248969 0.81516921 1
C C1 1 0.70697343 0.48546203 0.04853163 1
C C2 1 0.41743809 0.59082050 0.25931013 1
C C3 1 0.44220053 0.34478460 0.49264088 1
C C4 1 0.86077310 0.07127473 0.49260033 1
C C5 1 0.26418317 0.00580574 0.81497292 1
| -154.205359 |
674 | C-184035-5891-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06197000
_cell_length_b 2.42993000
_cell_length_c 6.41427000
_cell_angle_alpha 79.19198000
_cell_angle_beta 67.81184000
_cell_angle_gamma 92.70782000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.03936658
_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 0.94330982 0.44381968 0.87568023 1
C C1 1 -0.05546219 -0.00061153 0.76406954 1
C C2 1 0.94252735 1.11057250 0.54243380 1
C C3 1 0.94490576 0.66634752 0.43037700 1
C C4 1 -0.05676090 0.77744533 0.20867651 1
C C5 1 -0.05518505 0.33283570 0.09737922 1
| -154.439889 |
3,852 | C-184048-1268-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48588000
_cell_length_b 6.63485000
_cell_length_c 6.15759000
_cell_angle_alpha 56.32468000
_cell_angle_beta 78.34134000
_cell_angle_gamma 67.98684000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 78.35371550
_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 0.06019595 0.33153021 0.29932177 1
C C1 1 0.46830674 0.03080144 0.08526501 1
C C2 1 0.05619523 0.18772845 0.59730255 1
C C3 1 0.24530176 0.89323600 0.80934980 1
C C4 1 0.47656672 0.72436403 0.68461871 1
C C5 1 0.30258156 0.30613528 0.86645579 1
C C6 1 0.66440561 0.42998965 0.89551416 1
C C7 1 0.41852403 0.31114070 0.62668340 1
C C8 1 0.70639644 0.84508326 0.98333170 1
C C9 1 0.65726061 0.28753164 0.19310413 1
C C10 1 -0.18598480 0.60210980 0.25243667 1
C C11 1 1.01640971 0.77255345 0.51088395 1
C C12 1 0.25199605 0.58691544 0.40888707 1
C C13 1 0.90499670 0.01606275 1.24145139 1
| -154.372682 |
927 | C-72718-9015-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44566000
_cell_length_b 4.57697000
_cell_length_c 6.23436000
_cell_angle_alpha 81.78144000
_cell_angle_beta 101.39282000
_cell_angle_gamma 105.71951000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 65.55557382
_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 0.05724786 0.57232488 0.58515995 1
C C1 1 0.48855091 0.18982970 0.83125991 1
C C2 1 -0.04955315 0.25399763 0.69012430 1
C C3 1 0.22439157 0.13943730 0.35733257 1
C C4 1 0.60856034 0.71877345 0.54429700 1
C C5 1 0.69761341 0.39273688 1.04343413 1
C C6 1 0.21478659 0.30551451 0.16586288 1
C C7 1 0.74228608 0.05211309 0.47982617 1
C C8 1 0.38011886 0.87073284 0.93457130 1
C C9 1 0.83177682 0.72571693 0.97805939 1
| -154.232043 |
8,868 | C-34625-2118-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48366000
_cell_length_b 5.00806000
_cell_length_c 4.32808000
_cell_angle_alpha 109.53631000
_cell_angle_beta 113.27461000
_cell_angle_gamma 94.38519000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.23297538
_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 0.29593543 0.69814293 0.98334472 1
C C1 1 0.50776958 0.69811836 0.37297908 1
C C2 1 -0.02298514 0.17374358 1.03110571 1
C C3 1 0.10318278 0.88981261 0.46867267 1
C C4 1 0.29948042 0.17386048 0.80036941 1
C C5 1 0.10036323 0.41439134 0.65201868 1
C C6 1 0.89079572 0.88964214 1.07881564 1
C C7 1 0.42232927 0.41426296 0.42128498 1
| -154.068614 |
1,000 | C-136253-4158-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.60877000
_cell_length_b 4.48844000
_cell_length_c 4.68659000
_cell_angle_alpha 60.97067000
_cell_angle_beta 73.38588000
_cell_angle_gamma 54.87462000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.24302275
_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 1.03646124 0.45374388 0.58881068 1
C C1 1 0.72449207 0.88255383 0.35669597 1
C C2 1 -0.08272351 0.41706270 0.91296853 1
C C3 1 0.22920133 0.98825377 0.14495676 1
C C4 1 0.54208659 0.79151526 0.91288061 1
C C5 1 0.41203769 0.07937017 0.58868485 1
| -154.066713 |
45 | C-193915-3332-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42649000
_cell_length_b 4.22618000
_cell_length_c 4.22793000
_cell_angle_alpha 92.11405000
_cell_angle_beta 89.99356000
_cell_angle_gamma 90.00559000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.32699698
_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 0.56341676 0.18917536 -0.05612682 1
C C1 1 0.56362624 0.24997030 0.29329544 1
C C2 1 0.06366037 0.75605682 0.37790555 1
C C3 1 0.56352012 0.59940380 0.35402217 1
C C4 1 0.06355310 0.16551667 0.78724131 1
C C5 1 1.06346671 0.10510055 0.43820955 1
| -154.312453 |
995 | C-90804-2418-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48475000
_cell_length_b 4.08599000
_cell_length_c 4.67827000
_cell_angle_alpha 83.34836000
_cell_angle_beta 74.59691000
_cell_angle_gamma 90.01974000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.45862600
_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 0.92065002 0.82137062 0.72825020 1
C C1 1 0.49143642 0.70279813 0.58403091 1
C C2 1 0.43695066 0.34674703 0.69778023 1
C C3 1 0.26792640 0.41472178 0.03941248 1
C C4 1 -0.35149427 0.88178646 0.26990375 1
C C5 1 0.97874702 0.17686203 0.61203904 1
C C6 1 0.76644505 0.63962248 0.04232841 1
C C7 1 0.14792840 0.10853186 0.27141769 1
| -154.365554 |
5,973 | C-172965-3737-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48085000
_cell_length_b 5.03943000
_cell_length_c 5.61505000
_cell_angle_alpha 111.68909000
_cell_angle_beta 63.79466000
_cell_angle_gamma 89.98882000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.39030733
_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 -0.03901020 1.10087268 0.32181309 1
C C1 1 0.39693566 0.29398971 0.38579317 1
C C2 1 0.43109378 0.63205095 0.85324923 1
C C3 1 0.87672731 0.84028818 0.40608158 1
C C4 1 0.12336316 0.56941779 0.66058105 1
C C5 1 0.67212176 0.37681031 0.11146198 1
C C6 1 1.16985127 0.54753169 0.11385442 1
C C7 1 0.20575157 0.84322971 0.57730672 1
C C8 1 -0.11173459 0.06095963 0.89344709 1
C C9 1 0.28780649 0.95898205 -0.00511232 1
| -154.34051 |
4,900 | C-126177-4900-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42952000
_cell_length_b 3.58813000
_cell_length_c 5.11099000
_cell_angle_alpha 86.58693000
_cell_angle_beta 74.58785000
_cell_angle_gamma 92.13430000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.81106804
_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 0.55473113 -0.10773705 0.68413962 1
C C1 1 0.88861841 0.22691985 0.01658870 1
C C2 1 0.22246009 0.56095942 0.34923519 1
C C3 1 0.11026619 0.78167619 0.57338437 1
C C4 1 0.77785301 0.45019812 0.23869770 1
C C5 1 0.44414257 1.11606957 0.90584801 1
| -154.429573 |
7,339 | C-56510-2784-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43831000
_cell_length_b 3.26961000
_cell_length_c 14.92489000
_cell_angle_alpha 88.92855000
_cell_angle_beta 94.72978000
_cell_angle_gamma 112.07101000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 109.88139288
_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 0.72122929 0.13746551 0.59492314 1
C C1 1 0.22163079 0.92072547 0.83018016 1
C C2 1 -0.02393130 0.20046458 0.04103189 1
C C3 1 0.72123663 0.87527642 0.87604677 1
C C4 1 1.02568430 1.02058945 0.30841270 1
C C5 1 0.73579076 0.08378169 0.69120369 1
C C6 1 0.86793723 0.49147373 0.52686716 1
C C7 1 1.11450265 0.11080756 0.39708777 1
C C8 1 -0.23948833 0.84070291 -0.02714961 1
C C9 1 0.51339746 0.77940406 0.52669829 1
C C10 1 0.47308766 0.96550362 0.25982274 1
C C11 1 0.62155425 0.48763954 0.04121131 1
C C12 1 0.65160949 0.13346991 0.45003568 1
C C13 1 0.37892809 0.86862351 0.17135257 1
C C14 1 1.22763289 1.02518038 0.73641151 1
C C15 1 -0.15907326 0.84614657 0.11828202 1
| -154.116411 |
7,963 | C-126163-8054-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43009000
_cell_length_b 7.33160000
_cell_length_c 4.70653000
_cell_angle_alpha 82.30265000
_cell_angle_beta 60.88492000
_cell_angle_gamma 82.83191000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 72.42586732
_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 0.87187854 0.39384276 0.14684445 1
C C1 1 0.67335252 0.25954947 0.41175368 1
C C2 1 0.47276390 0.45969512 1.01249562 1
C C3 1 0.07289792 0.19234540 0.54551147 1
C C4 1 0.67533985 0.59229179 0.74494885 1
C C5 1 0.27667129 0.99059724 0.94326875 1
C C6 1 0.27744941 0.65764873 0.60972893 1
C C7 1 1.07501749 -0.14277373 0.20969397 1
C C8 1 0.47356367 0.79138890 0.34453013 1
C C9 1 -0.12415609 1.05795413 0.81016095 1
| -154.455772 |
1,673 | C-170372-5246-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.54023000
_cell_length_b 2.46094000
_cell_length_c 7.23407000
_cell_angle_alpha 80.31919000
_cell_angle_beta 58.07480000
_cell_angle_gamma 90.24007000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 37.60067879
_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 0.94473286 0.29016710 -0.01611698 1
C C1 1 0.65615620 0.52877498 0.50579296 1
C C2 1 0.60644638 0.17565820 0.21405431 1
C C3 1 0.41258622 0.61001107 0.34527855 1
C C4 1 0.12122760 -0.15078535 0.86675638 1
C C5 1 0.46253133 0.96269320 0.63662608 1
| -154.172412 |
2,542 | C-96700-8739-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43157000
_cell_length_b 4.49705000
_cell_length_c 6.90520000
_cell_angle_alpha 97.84248000
_cell_angle_beta 82.53467000
_cell_angle_gamma 103.59988000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 72.32774425
_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 0.37757571 0.10344330 0.71532019 1
C C1 1 1.03989723 0.76857410 1.04963160 1
C C2 1 0.24164576 0.56752191 0.45114296 1
C C3 1 0.84521837 0.96993172 0.64885568 1
C C4 1 0.77589135 0.70170395 0.51725910 1
C C5 1 0.44360833 0.36947988 0.84855205 1
C C6 1 0.97468432 0.50253155 -0.08369965 1
C C7 1 0.17251144 0.30136039 0.31819257 1
C C8 1 0.63900495 0.16756202 0.25105919 1
C C9 1 0.57079704 0.90063637 0.11829451 1
| -154.450754 |
2,441 | C-177233-8452-54 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43189000
_cell_length_b 4.81751000
_cell_length_c 4.22667000
_cell_angle_alpha 97.75657000
_cell_angle_beta 106.80843000
_cell_angle_gamma 75.34818000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.75885940
_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 0.44640251 0.31452681 -0.09329997 1
C C1 1 0.52344134 0.74553083 0.48869551 1
C C2 1 0.29540978 1.02676521 0.31542978 1
C C3 1 0.67411704 0.03304731 0.07967259 1
C C4 1 0.69148241 0.77374398 0.85356814 1
C C5 1 0.90757259 0.49843786 0.01424633 1
C C6 1 0.27953995 0.28620842 0.54196460 1
C C7 1 0.06009018 0.56225018 0.38155402 1
| -154.22345 |
3,352 | C-126153-9712-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48788000
_cell_length_b 2.48794000
_cell_length_c 6.09141000
_cell_angle_alpha 90.00060000
_cell_angle_beta 89.99760000
_cell_angle_gamma 59.97636000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.64482094
_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 0.94027249 0.34743740 0.97082468 1
C C1 1 0.27364710 0.68082704 0.88734461 1
C C2 1 0.60695498 0.01443654 0.55402211 1
C C3 1 0.27358037 0.68104690 0.63750218 1
C C4 1 0.94030462 0.34760826 0.22068209 1
C C5 1 0.60692285 1.01426568 0.30416470 1
| -154.546555 |
9,828 | C-102912-5323-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34960000
_cell_length_b 3.77736000
_cell_length_c 6.64763000
_cell_angle_alpha 110.37324000
_cell_angle_beta 75.92591000
_cell_angle_gamma 106.99473000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 74.46126032
_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 0.51309077 1.05018979 0.77165874 1
C C1 1 0.10645868 0.44746543 0.56195895 1
C C2 1 0.10520811 1.11967119 0.94840586 1
C C3 1 0.83762960 0.44011380 0.77372692 1
C C4 1 0.42207844 0.77679144 0.56001560 1
C C5 1 1.00417275 0.16020002 0.37050987 1
C C6 1 0.27547831 0.16769598 0.15896314 1
C C7 1 0.00671976 0.48836843 0.98495946 1
C C8 1 0.71346495 0.83075285 0.87123727 1
C C9 1 0.68708017 0.83151727 0.37264304 1
C C10 1 0.39973402 0.77683246 0.06100210 1
C C11 1 0.59918334 0.55807105 0.16106854 1
| -154.202008 |
1,321 | C-73653-6772-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47370000
_cell_length_b 4.80363000
_cell_length_c 4.28078000
_cell_angle_alpha 116.47822000
_cell_angle_beta 89.98844000
_cell_angle_gamma 104.92036000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.60861731
_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 0.50035680 0.34982529 0.32482749 1
C C1 1 0.68795710 0.72403066 0.51194834 1
C C2 1 0.25027594 0.84981985 0.74145395 1
C C3 1 0.93787624 0.22402522 0.42857480 1
C C4 1 0.43787624 0.22402522 -0.07142520 1
C C5 1 0.18795710 0.72403066 1.01194834 1
C C6 1 0.75027594 0.84981985 0.24145395 1
C C7 1 1.00035680 0.34982529 0.82482749 1
| -154.520766 |
2,097 | C-157683-5975-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47454000
_cell_length_b 3.68460000
_cell_length_c 8.33873000
_cell_angle_alpha 112.01881000
_cell_angle_beta 107.32416000
_cell_angle_gamma 89.95996000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 66.75611577
_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 -0.15430151 0.50782897 0.45578402 1
C C1 1 0.32318911 0.51815666 0.93719970 1
C C2 1 0.69568352 0.08673790 0.30730493 1
C C3 1 0.45016973 0.64735754 0.56005327 1
C C4 1 1.07640715 0.07980847 0.18948130 1
C C5 1 0.17790405 0.17591329 0.78874772 1
C C6 1 0.92784569 0.65869316 1.04129420 1
C C7 1 0.59938025 0.98743351 0.70977186 1
C C8 1 0.69315771 0.67812118 0.30452332 1
C C9 1 0.07977749 0.48847582 0.19232159 1
| -154.189097 |
6,120 | C-96702-7736-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46142000
_cell_length_b 3.35561000
_cell_length_c 4.48987000
_cell_angle_alpha 111.95495000
_cell_angle_beta 95.35132000
_cell_angle_gamma 75.53681000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 33.30491199
_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 0.62018840 0.74936699 0.74801431 1
C C1 1 0.40880432 0.22986898 0.98158342 1
C C2 1 0.20151604 0.47576850 0.74789418 1
C C3 1 0.90891261 0.33488408 0.19218806 1
C C4 1 0.70174631 0.81470445 0.42613111 1
C C5 1 0.12040662 0.08822392 0.42603632 1
| -154.205159 |
1,349 | C-172933-709-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47694000
_cell_length_b 6.66093000
_cell_length_c 8.74125000
_cell_angle_alpha 101.38263000
_cell_angle_beta 88.36547000
_cell_angle_gamma 100.25727000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C24
_cell_volume 139.11998541
_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 0.36746322 0.35911844 0.41659007 1
C C1 1 0.74708531 1.11833947 0.20057497 1
C C2 1 0.30505972 0.39042105 0.86393682 1
C C3 1 0.70199267 1.02057073 0.93530463 1
C C4 1 0.34123791 0.32825964 0.02470104 1
C C5 1 0.15740993 0.91989583 0.98876577 1
C C6 1 0.60015668 0.54318079 0.07678634 1
C C7 1 1.18807469 0.98230430 0.16446332 1
C C8 1 1.14450742 0.90387811 0.43031444 1
C C9 1 0.72877342 0.13405201 0.65396182 1
C C10 1 0.48868457 0.57709816 0.37086229 1
C C11 1 0.58162384 0.67649217 0.22511684 1
C C12 1 0.03041463 0.73061552 0.87941366 1
C C13 1 0.39634804 0.45529381 0.59675047 1
C C14 1 -0.29619264 0.04002601 0.47543096 1
C C15 1 0.07541713 0.80020379 0.73172556 1
C C16 1 0.12924691 0.81831199 0.25468348 1
C C17 1 0.02850638 0.67542665 0.45710379 1
C C18 1 0.83755535 0.53406507 0.91344906 1
C C19 1 -0.19914591 0.22543695 0.37387672 1
C C20 1 0.28680624 0.27474751 0.69513004 1
C C21 1 0.79433481 0.21874943 0.05344813 1
C C22 1 0.97261194 0.60116892 0.60901959 1
C C23 1 0.64971236 -0.04905325 0.74806600 1
| -154.106765 |
3,133 | C-136237-3205-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43202000
_cell_length_b 4.44516000
_cell_length_c 4.14119000
_cell_angle_alpha 83.37464000
_cell_angle_beta 93.80931000
_cell_angle_gamma 102.14377000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.43413936
_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 0.17125006 0.46996413 0.12543448 1
C C1 1 -0.05034969 1.02637623 0.67854231 1
C C2 1 0.28276418 0.69193594 0.34640138 1
C C3 1 0.50495179 0.13827982 0.78997865 1
C C4 1 0.61597819 0.35801527 1.01409542 1
C C5 1 0.83788337 0.80309271 0.45931455 1
| -154.457381 |
8,752 | C-189724-308-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42843000
_cell_length_b 4.80334000
_cell_length_c 3.94195000
_cell_angle_alpha 93.96886000
_cell_angle_beta 95.84172000
_cell_angle_gamma 109.93863000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.73418044
_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 0.69879428 0.91901103 -0.22871430 1
C C1 1 0.14297405 0.80803621 0.88301026 1
C C2 1 0.80923978 0.14091852 0.54924643 1
C C3 1 0.36464525 0.25162663 0.43675975 1
C C4 1 0.47723645 0.47591144 0.21838739 1
C C5 1 0.03298649 0.58704638 0.10649976 1
| -154.425159 |
6,301 | C-177273-2684-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45459000
_cell_length_b 3.34937000
_cell_length_c 7.63564000
_cell_angle_alpha 73.28008000
_cell_angle_beta 89.87446000
_cell_angle_gamma 111.31276000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 55.60710394
_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 0.88964263 0.35646403 0.60206375 1
C C1 1 0.07085524 0.71540022 1.07853517 1
C C2 1 0.57710734 0.72865185 0.31648474 1
C C3 1 0.19322152 0.95758939 0.88196968 1
C C4 1 0.20124306 0.97696519 0.22624006 1
C C5 1 0.44733713 0.46704193 0.16941065 1
C C6 1 0.75850043 0.08828656 0.79205752 1
C C7 1 0.45596595 0.48815582 0.51260173 1
| -154.20278 |
8,710 | C-170871-2485-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.68530000
_cell_length_b 4.62642000
_cell_length_c 4.68071000
_cell_angle_alpha 76.35006000
_cell_angle_beta 75.37793000
_cell_angle_gamma 71.13727000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 52.48268757
_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 0.88793461 0.18391949 0.36147611 1
C C1 1 -0.24593049 0.21802511 0.69400451 1
C C2 1 0.93294844 -0.13547383 0.35829463 1
C C3 1 0.87744372 0.89416235 0.84158100 1
C C4 1 -0.02790706 0.70204623 0.64350252 1
C C5 1 0.91725021 0.72956699 0.12623143 1
C C6 1 -0.03473236 0.41034817 0.12039667 1
C C7 1 0.09819492 0.37845920 0.78768953 1
| -154.082745 |
5,168 | C-57124-393-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48745000
_cell_length_b 3.87799000
_cell_length_c 7.87456000
_cell_angle_alpha 115.46236000
_cell_angle_beta 99.06466000
_cell_angle_gamma 89.99636000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.53036498
_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 0.39000912 0.39042255 0.54049876 1
C C1 1 0.14290362 0.33213941 0.04784340 1
C C2 1 0.97218952 1.03283935 0.70775182 1
C C3 1 0.24799577 0.37191990 0.24963749 1
C C4 1 0.47158276 0.27469723 0.70655907 1
C C5 1 0.64441631 0.57393018 1.05098608 1
C C6 1 -0.10866451 0.63169434 0.54344151 1
C C7 1 0.79386207 0.59186328 0.34166598 1
C C8 1 0.56059226 0.69023276 0.88531263 1
C C9 1 0.28697509 1.09440004 0.32559498 1
C C10 1 0.05986116 0.93161576 0.88395725 1
C C11 1 0.75742213 0.86981870 0.26623123 1
| -154.327528 |
503 | C-90804-2418-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43335000
_cell_length_b 4.22078000
_cell_length_c 4.81616000
_cell_angle_alpha 89.44417000
_cell_angle_beta 104.67814000
_cell_angle_gamma 106.60611000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.74989666
_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 0.68180134 0.86940782 0.52613884 1
C C1 1 0.54006738 0.34439109 0.77327923 1
C C2 1 -0.10520792 0.23652617 0.58962976 1
C C3 1 0.73736245 0.70902439 0.80211051 1
C C4 1 -0.16118514 0.39744892 0.31394164 1
C C5 1 0.59579489 0.17159043 0.05486285 1
C C6 1 1.03729748 0.76237177 0.34276223 1
C C7 1 0.98066083 0.93524920 0.06126084 1
| -154.226654 |
1,846 | C-72740-7131-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47642000
_cell_length_b 5.94365000
_cell_length_c 4.25643000
_cell_angle_alpha 110.95898000
_cell_angle_beta 89.98237000
_cell_angle_gamma 102.05671000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.02436136
_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 0.73313970 0.21245499 0.76502543 1
C C1 1 0.42566777 0.58993444 -0.02331314 1
C C2 1 0.10725558 -0.04451085 -0.01405620 1
C C3 1 0.60342015 0.94658101 0.49786616 1
C C4 1 0.86975561 0.47872130 0.76452150 1
C C5 1 0.23299019 0.21222957 0.98024468 1
C C6 1 0.36380092 0.46864801 0.24292737 1
C C7 1 -0.09652885 0.54945740 0.45721635 1
C C8 1 0.56621891 0.87504315 0.11983967 1
C C9 1 0.04665401 0.83462149 0.59857637 1
| -154.393706 |
4,620 | C-136249-3748-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45548000
_cell_length_b 4.14735000
_cell_length_c 6.98911000
_cell_angle_alpha 90.47667000
_cell_angle_beta 79.94906000
_cell_angle_gamma 90.02470000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 70.08045297
_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 0.26007980 0.73269771 0.57713025 1
C C1 1 0.23971061 0.41947180 0.61004820 1
C C2 1 0.78472362 0.90987931 0.52802071 1
C C3 1 -0.09223904 -0.08902437 0.28414843 1
C C4 1 0.96269611 0.23097192 0.17303093 1
C C5 1 0.44799975 0.41934564 0.20442013 1
C C6 1 0.43404297 0.73408633 0.23322199 1
C C7 1 1.06889908 1.16513527 -0.04506440 1
C C8 1 0.72360328 0.23165418 0.64199916 1
C C9 1 0.61720010 0.16596970 0.85878670 1
| -154.148801 |
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