Unnamed: 0
int64 2
10.1k
| material_id
stringlengths 12
16
| cif
stringlengths 939
1.86k
| energy_per_atom
float64 -154.56
-154.07
|
|---|---|---|---|
4,675 | C-56471-7021-59 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45980000
_cell_length_b 4.54577000
_cell_length_c 6.67900000
_cell_angle_alpha 74.17437000
_cell_angle_beta 89.97368000
_cell_angle_gamma 74.27827000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.94589046
_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 -0.13347658 0.29962615 0.10890504 1
C C1 1 0.30145289 0.42421067 0.38283446 1
C C2 1 0.69975440 0.62976150 0.31042594 1
C C3 1 0.41215007 0.20532560 0.24562391 1
C C4 1 0.34371153 0.34556839 0.78684141 1
C C5 1 0.91945642 0.19470010 0.91459788 1
C C6 1 0.56504594 0.89443905 0.39244182 1
C C7 1 0.39672401 0.23173594 0.59910326 1
C C8 1 0.15313745 0.72104593 0.74376088 1
C C9 1 0.57167137 0.88150656 0.61790396 1
C C10 1 0.68365389 0.66836615 0.07336051 1
C C11 1 0.10834310 0.81908068 0.95345592 1
| -154.24626 |
2,140 | C-136233-1177-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49656000
_cell_length_b 6.14278000
_cell_length_c 5.58649000
_cell_angle_alpha 50.16122000
_cell_angle_beta 63.44618000
_cell_angle_gamma 66.02441000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.94060366
_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 0.65869699 0.32058542 0.99227754 1
C C1 1 0.51652709 0.46221364 0.49468992 1
C C2 1 0.70070762 0.64677850 0.12527552 1
C C3 1 0.82767702 0.00296429 0.14029946 1
C C4 1 0.97219064 0.37421388 0.12554876 1
C C5 1 0.14672208 0.83375853 0.99187149 1
C C6 1 -0.17115406 0.51631056 0.62769780 1
C C7 1 0.34361968 0.00270510 0.62728564 1
C C8 1 0.78936864 0.18949732 0.49466339 1
C C9 1 0.65829999 0.83401035 0.47815601 1
| -154.249317 |
3,883 | C-102905-3681-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30427000
_cell_length_b 3.30350000
_cell_length_c 5.20386000
_cell_angle_alpha 64.89675000
_cell_angle_beta 84.38434000
_cell_angle_gamma 100.27815000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 49.64333135
_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 0.26646882 0.63319856 0.48541658 1
C C1 1 0.68179863 0.89375833 0.77100198 1
C C2 1 0.12886357 0.19129303 0.02584256 1
C C3 1 0.80132343 0.86456249 0.02614953 1
C C4 1 0.35489843 0.56725035 0.77105761 1
C C5 1 0.22131601 0.12452951 0.31097281 1
C C6 1 0.90297325 0.26992104 0.48560509 1
C C7 1 0.58499275 0.48733269 0.31110724 1
| -154.218855 |
8,906 | C-41278-5784-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51651000
_cell_length_b 5.39338000
_cell_length_c 4.75669000
_cell_angle_alpha 88.84132000
_cell_angle_beta 74.67434000
_cell_angle_gamma 102.56704000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 60.56507155
_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 0.42004659 0.22012940 0.01080295 1
C C1 1 0.54605223 -0.01234262 0.54000328 1
C C2 1 0.62940383 0.87018693 0.25863741 1
C C3 1 0.55108264 0.63262709 0.16060374 1
C C4 1 0.84990019 0.05643686 0.00032274 1
C C5 1 0.71871255 0.64443609 0.85022978 1
C C6 1 0.72363683 0.28795403 0.47135312 1
C C7 1 0.91988731 0.91328976 0.72305701 1
C C8 1 0.34984915 0.36260520 0.28802644 1
C C9 1 0.64104078 0.40654046 0.75268013 1
| -154.180059 |
4,168 | C-90813-2847-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48470000
_cell_length_b 4.78144000
_cell_length_c 6.81470000
_cell_angle_alpha 43.31822000
_cell_angle_beta 56.88952000
_cell_angle_gamma 58.68123000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.45739364
_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 0.49946614 0.52270665 0.57150692 1
C C1 1 0.16179477 0.38874967 0.88583167 1
C C2 1 0.70869773 0.12581417 0.02984919 1
C C3 1 0.64622092 0.22019583 0.34194875 1
C C4 1 0.74884656 0.62951210 1.00092786 1
C C5 1 0.12216315 -0.11474098 0.91463975 1
C C6 1 0.37120101 -0.00808625 0.34409666 1
C C7 1 0.22407451 0.29456909 0.57373460 1
| -154.366884 |
4,107 | C-126153-9712-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47504000
_cell_length_b 3.72215000
_cell_length_c 4.24875000
_cell_angle_alpha 115.96836000
_cell_angle_beta 90.00142000
_cell_angle_gamma 89.99899000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.18960135
_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 0.55747054 0.26125430 0.98852050 1
C C1 1 0.55703237 0.69624849 0.26672762 1
C C2 1 0.05647116 0.65002598 0.76598191 1
C C3 1 0.55648025 0.85348692 -0.01103685 1
C C4 1 0.05701403 0.80692219 0.48809318 1
C C5 1 0.05740915 0.24209542 0.76613324 1
| -154.291306 |
1,242 | C-106835-1204-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45423000
_cell_length_b 4.38633000
_cell_length_c 4.25836000
_cell_angle_alpha 73.41690000
_cell_angle_beta 89.08322000
_cell_angle_gamma 89.57737000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.92900415
_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 0.60582204 0.00017977 0.78071285 1
C C1 1 -0.06647180 0.48495474 0.87962505 1
C C2 1 0.57723334 0.00054934 0.14639419 1
C C3 1 1.08205495 0.83571037 0.69668622 1
C C4 1 0.42949902 0.36509884 0.08993680 1
C C5 1 0.10895880 0.83477150 0.33123005 1
C C6 1 0.26135950 0.47011106 0.38939068 1
C C7 1 0.75747365 0.35051088 0.59971256 1
| -154.08004 |
3,599 | C-136204-3885-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46111000
_cell_length_b 3.35624000
_cell_length_c 4.48551000
_cell_angle_alpha 111.95728000
_cell_angle_beta 84.62722000
_cell_angle_gamma 104.48172000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 33.27130298
_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 0.74994569 0.01208570 0.16381529 1
C C1 1 0.04057158 0.42621923 0.72008397 1
C C2 1 0.24976158 0.90636743 0.95318768 1
C C3 1 -0.04074414 0.49179387 0.39722849 1
C C4 1 0.54060517 0.76519207 0.39725973 1
C C5 1 0.45907063 0.15271610 0.72005342 1
| -154.202126 |
2,605 | C-145340-6787-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42008000
_cell_length_b 4.87118000
_cell_length_c 5.28163000
_cell_angle_alpha 82.08554000
_cell_angle_beta 95.80107000
_cell_angle_gamma 52.56383000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.26505370
_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 0.31327879 0.60134115 0.25383769 1
C C1 1 0.02317903 0.44940272 0.60840653 1
C C2 1 0.50638629 0.55265247 -0.00268435 1
C C3 1 -0.08889019 0.18044559 0.02670137 1
C C4 1 0.63319965 0.81101224 0.90728596 1
C C5 1 0.05176406 0.67472873 0.76952255 1
C C6 1 1.10539860 0.13142882 0.77055835 1
C C7 1 0.78528005 0.92160358 0.11802700 1
C C8 1 0.97184789 -0.02251336 0.58731698 1
C C9 1 0.36619081 0.05872872 0.25488825 1
C C10 1 0.44676868 0.75556303 0.43666364 1
C C11 1 0.39644725 0.28304691 0.41725682 1
| -154.226053 |
4,897 | C-73631-2702-56 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33228000
_cell_length_b 5.18940000
_cell_length_c 6.73420000
_cell_angle_alpha 62.74768000
_cell_angle_beta 85.31337000
_cell_angle_gamma 81.93007000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 102.47986978
_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 0.00700842 0.18145195 0.40240446 1
C C1 1 0.32445642 0.62038529 0.78080202 1
C C2 1 -0.28372436 0.87178004 0.88547906 1
C C3 1 0.30755282 0.18859860 0.55996505 1
C C4 1 0.01805535 0.33657656 0.14780725 1
C C5 1 -0.04594730 0.32848166 0.66412372 1
C C6 1 0.61466432 0.64577207 0.28738654 1
C C7 1 0.40457992 0.42289960 0.02283111 1
C C8 1 0.84589590 -0.11525161 0.49229649 1
C C9 1 0.66871492 0.35956112 0.47910310 1
C C10 1 0.52871200 0.88950226 0.68703624 1
C C11 1 1.07611600 0.60142938 0.64331976 1
C C12 1 0.66245207 0.60094516 0.08599969 1
C C13 1 0.76154992 0.16158041 0.08256286 1
C C14 1 0.83697331 0.10686735 0.88644682 1
C C15 1 0.69798239 0.88960595 0.28880221 1
| -154.089161 |
4,025 | C-113094-8253-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45631000
_cell_length_b 3.66389000
_cell_length_c 6.42548000
_cell_angle_alpha 105.72418000
_cell_angle_beta 89.96570000
_cell_angle_gamma 109.62355000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 52.16874441
_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 0.19973860 0.50859859 0.91849595 1
C C1 1 0.46997332 0.05205897 0.34678853 1
C C2 1 0.82192805 0.75446753 0.00515099 1
C C3 1 -0.07870462 0.95352161 0.24091729 1
C C4 1 0.19391368 0.49646954 0.67002728 1
C C5 1 0.97314427 0.05930678 0.86665081 1
C C6 1 0.56966125 0.24976130 0.58282352 1
C C7 1 0.41707764 -0.05427954 0.72165282 1
| -154.284421 |
8,902 | C-126177-4900-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42503000
_cell_length_b 5.27260000
_cell_length_c 6.91507000
_cell_angle_alpha 119.91255000
_cell_angle_beta 100.62969000
_cell_angle_gamma 90.62062000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 74.77349380
_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 0.72849189 0.92013435 0.51184639 1
C C1 1 0.99825409 0.38620000 0.04458099 1
C C2 1 0.79415330 0.78607777 0.64459601 1
C C3 1 0.19684828 -0.01359017 0.44533375 1
C C4 1 0.92897987 0.51987859 0.91105080 1
C C5 1 0.32701736 0.71991701 0.71118407 1
C C6 1 0.13180316 0.12059123 0.31247524 1
C C7 1 0.59949285 0.18668741 0.24546847 1
C C8 1 0.53220249 0.32046848 0.11197225 1
C C9 1 0.39453132 0.58572793 -0.15606577 1
| -154.41379 |
9,677 | C-92122-3410-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48433000
_cell_length_b 6.50459000
_cell_length_c 4.77678000
_cell_angle_alpha 49.70217000
_cell_angle_beta 105.13521000
_cell_angle_gamma 101.05481000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.80311595
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.05346068 0.65572752 0.26619272 1
C C1 1 0.91474156 0.79406606 0.84710589 1
C C2 1 0.68745215 1.03209689 0.14956990 1
C C3 1 0.78020372 0.58809891 0.78072958 1
C C4 1 0.25345646 0.41594129 0.89929590 1
C C5 1 0.27610160 0.11908771 0.23899793 1
C C6 1 0.54908103 0.18661215 0.72455775 1
C C7 1 0.64211283 0.74268264 0.35567244 1
C C8 1 0.07544005 0.35878575 0.60570938 1
C C9 1 0.41369112 0.98070738 0.65796841 1
| -154.370365 |
8,051 | C-56468-3855-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44079000
_cell_length_b 5.95748000
_cell_length_c 6.44880000
_cell_angle_alpha 65.77923000
_cell_angle_beta 79.09744000
_cell_angle_gamma 65.79878000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 77.97639227
_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 0.54302420 0.39141163 0.15664404 1
C C1 1 0.59135770 0.54432333 0.75156682 1
C C2 1 0.09024534 0.29367868 0.25998296 1
C C3 1 0.47163766 0.10058424 -0.12455032 1
C C4 1 0.20575582 0.07690825 0.46229504 1
C C5 1 -0.14880103 0.23935140 0.84319966 1
C C6 1 0.04396143 0.66064293 0.61335093 1
C C7 1 0.64164252 0.74303905 0.24629891 1
C C8 1 0.38501028 0.64618447 0.95661817 1
C C9 1 0.71626497 0.79780997 -0.00981229 1
C C10 1 1.12526321 0.70222113 0.36295406 1
C C11 1 0.78974391 -0.04749018 0.54089783 1
| -154.134797 |
3,868 | C-72730-1850-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47343000
_cell_length_b 4.86701000
_cell_length_c 5.54201000
_cell_angle_alpha 67.62680000
_cell_angle_beta 104.04351000
_cell_angle_gamma 105.06773000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 82.56721660
_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 0.62076596 0.16407458 0.26040979 1
C C1 1 0.37202115 0.69634282 0.14021885 1
C C2 1 1.05081332 0.28354712 0.31967155 1
C C3 1 0.33296434 1.04785993 0.46483989 1
C C4 1 0.13642766 0.37944808 0.84836126 1
C C5 1 0.10376989 0.85623184 0.87654482 1
C C6 1 0.44434764 0.42862882 0.67546733 1
C C7 1 0.46207636 1.08822931 0.72625256 1
C C8 1 0.01499277 0.77585325 0.43312353 1
C C9 1 0.20560716 0.55659628 0.39843336 1
C C10 1 0.88136840 0.62383288 0.71368693 1
C C11 1 0.86752745 1.05754793 0.90537711 1
C C12 1 0.33527719 0.39411733 0.10627305 1
C C13 1 0.72340150 0.92231533 0.17831558 1
| -154.105804 |
941 | C-53844-8150-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48684000
_cell_length_b 2.48739000
_cell_length_c 5.55981000
_cell_angle_alpha 77.07879000
_cell_angle_beta 102.91227000
_cell_angle_gamma 89.98459000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.62736047
_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 0.29465227 0.31727045 0.25413911 1
C C1 1 0.21155918 0.90039361 0.08789278 1
C C2 1 0.62798560 -0.01606289 0.92080578 1
C C3 1 0.96131894 0.65060378 0.58747244 1
C C4 1 0.87822584 0.23372695 0.42122611 1
C C5 1 0.54489251 0.56706028 0.75455944 1
| -154.548845 |
1,278 | C-107748-2637-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13337000
_cell_length_b 4.38277000
_cell_length_c 6.84991000
_cell_angle_alpha 85.80142000
_cell_angle_beta 95.15052000
_cell_angle_gamma 65.52533000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 84.63559813
_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 0.13547776 0.37312268 0.21811660 1
C C1 1 0.46884457 0.87315850 0.05143618 1
C C2 1 0.13366617 0.03917207 0.88553079 1
C C3 1 0.13356222 0.53917299 0.38554704 1
C C4 1 0.80216707 0.37314695 0.88476419 1
C C5 1 0.46697942 0.03913386 0.21886915 1
C C6 1 0.13550033 -0.12688620 0.71810992 1
C C7 1 0.80031514 0.53918796 0.05217984 1
C C8 1 0.46697549 0.53915078 0.71886413 1
C C9 1 0.80209818 0.87312813 0.38478397 1
C C10 1 0.46877716 0.37313002 0.55145566 1
C C11 1 0.80024129 0.03916608 0.55219542 1
| -154.409248 |
1,611 | C-192659-5111-65 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53343000
_cell_length_b 3.54196000
_cell_length_c 10.55051000
_cell_angle_alpha 99.08227000
_cell_angle_beta 80.95070000
_cell_angle_gamma 93.81182000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 128.64661344
_cell_formula_units_Z 20
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.22416370 0.21476712 0.88620904 1
C C1 1 0.25659280 0.67564072 0.22392886 1
C C2 1 0.00603146 0.78243354 0.63728250 1
C C3 1 -0.06761948 1.01965130 0.97009268 1
C C4 1 0.93926038 0.19657785 0.09427673 1
C C5 1 0.49874081 -0.05920450 0.80219957 1
C C6 1 0.42125293 0.50542859 0.96989194 1
C C7 1 0.76531910 0.18554849 0.22422046 1
C C8 1 0.97287254 0.46930894 0.29649912 1
C C9 1 0.29896841 0.64184768 0.71579463 1
C C10 1 0.24407662 0.50053662 0.09408617 1
C C11 1 0.41561682 0.02664942 0.43229578 1
C C12 1 0.47850537 0.96311331 0.28915648 1
C C13 1 0.91736999 0.52533884 0.42770212 1
C C14 1 0.13612624 0.79831331 0.49777605 1
C C15 1 0.01902193 0.42150551 0.80270337 1
C C16 1 0.64366662 0.30682192 0.49757322 1
C C17 1 -0.28291280 0.72220642 0.89468116 1
C C18 1 0.79853640 0.14157533 0.71574631 1
C C19 1 0.65821007 0.43483230 0.63718199 1
| -154.172961 |
1,198 | C-189746-9542-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49007000
_cell_length_b 3.59141000
_cell_length_c 4.35634000
_cell_angle_alpha 95.68781000
_cell_angle_beta 73.39732000
_cell_angle_gamma 110.28804000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.01780411
_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 0.81331927 0.03372872 0.92823618 1
C C1 1 0.52699716 0.66373898 0.13405596 1
C C2 1 0.63192132 0.29392842 0.55248523 1
C C3 1 -0.07925716 0.66374844 0.34624337 1
C C4 1 1.00209004 0.03394294 0.55239607 1
C C5 1 0.44435557 0.29398219 0.92805438 1
| -154.197029 |
3,162 | C-136255-5449-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.67876000
_cell_length_b 3.31675000
_cell_length_c 7.29675000
_cell_angle_alpha 72.78275000
_cell_angle_beta 78.40773000
_cell_angle_gamma 92.72006000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 82.76146592
_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 -0.03894428 0.73562936 0.12052905 1
C C1 1 0.62314168 0.02179437 0.69433988 1
C C2 1 0.36729668 0.34148918 0.60521461 1
C C3 1 0.16851546 0.49366796 0.98427308 1
C C4 1 0.96797807 0.34492814 0.66631231 1
C C5 1 0.56167107 0.72205329 0.89167323 1
C C6 1 0.86025498 0.40632130 0.87791558 1
C C7 1 0.25764737 1.07074317 0.12209706 1
C C8 1 0.47345858 0.18857153 0.42138052 1
C C9 1 0.57638231 0.78767124 0.54831374 1
C C10 1 0.65373305 0.97114362 1.02389410 1
C C11 1 -0.13189921 0.42646690 0.32543639 1
C C12 1 -0.07054327 0.67820602 0.46365980 1
C C13 1 0.16171353 0.10008801 0.33067736 1
| -154.189118 |
5,679 | C-145305-3527-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47805000
_cell_length_b 4.28809000
_cell_length_c 6.77955000
_cell_angle_alpha 114.93663000
_cell_angle_beta 90.00081000
_cell_angle_gamma 90.00124000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 65.32421468
_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 0.96767815 0.32315286 0.32128420 1
C C1 1 0.96839727 0.15552294 0.07046259 1
C C2 1 -0.03144290 0.60196497 0.73968415 1
C C3 1 0.46849354 0.71304499 0.65618576 1
C C4 1 0.46769448 0.54599310 0.40531991 1
C C5 1 0.46785140 0.82322358 0.32133623 1
C C6 1 -0.03149555 0.76669135 0.98708757 1
C C7 1 0.46848850 0.26667720 0.98709294 1
C C8 1 0.46871209 0.10195930 0.73970782 1
C C9 1 0.46847229 0.65557828 0.07049288 1
C C10 1 0.96868794 0.21310559 0.65626199 1
C C11 1 0.96788280 0.04605745 0.40540817 1
| -154.536354 |
7,868 | C-57113-4466-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35237000
_cell_length_b 3.40401000
_cell_length_c 4.57982000
_cell_angle_alpha 89.32999000
_cell_angle_beta 111.43694000
_cell_angle_gamma 92.08906000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.61470539
_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 0.68142237 0.91528339 0.90996636 1
C C1 1 0.45313049 0.75987129 0.11516904 1
C C2 1 0.03966605 0.61985540 0.59022753 1
C C3 1 0.38099808 0.09407780 0.30588775 1
C C4 1 0.94141649 0.26019439 1.09170461 1
C C5 1 0.71556264 0.42713714 0.30554882 1
C C6 1 0.33948530 -0.09278768 0.59108711 1
C C7 1 1.01869217 0.60582787 0.90994469 1
| -154.198566 |
1,800 | C-152597-8815-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49076000
_cell_length_b 4.06097000
_cell_length_c 8.25048000
_cell_angle_alpha 99.42498000
_cell_angle_beta 72.53642000
_cell_angle_gamma 90.04132000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 78.42762805
_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 0.70965138 0.49034747 0.77169148 1
C C1 1 0.87488330 0.75864254 0.11048661 1
C C2 1 0.39062833 0.78967276 0.59029590 1
C C3 1 0.89330061 0.55514938 0.58727750 1
C C4 1 0.19512477 0.45933113 0.29122804 1
C C5 1 0.38249167 0.27744484 0.10151273 1
C C6 1 0.43107794 0.91335066 1.05432769 1
C C7 1 -0.04103607 0.40471785 1.02458424 1
C C8 1 0.54222262 1.00704370 0.44163548 1
C C9 1 0.20105716 0.97182955 0.78096895 1
C C10 1 0.62475083 -0.15562505 0.85783677 1
C C11 1 0.15288313 0.33596900 0.82842189 1
C C12 1 0.69246176 0.69364659 0.29434573 1
C C13 1 0.04435845 0.24173787 0.43941280 1
| -154.374911 |
9,098 | C-106844-7188-53 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48448000
_cell_length_b 4.08709000
_cell_length_c 4.67475000
_cell_angle_alpha 83.31633000
_cell_angle_beta 74.61085000
_cell_angle_gamma 90.00309000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.43205095
_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 -0.08625910 -0.00720530 0.66421345 1
C C1 1 0.45708253 0.82329592 0.57804729 1
C C2 1 0.24128420 0.28609816 0.00880645 1
C C3 1 1.12807336 0.52880652 0.23512114 1
C C4 1 -0.25730989 0.06145147 0.00622626 1
C C5 1 0.39741948 0.46781880 0.69393801 1
C C6 1 0.96917123 0.34875126 0.54999356 1
C C7 1 0.62750179 0.75495667 0.23677324 1
| -154.36516 |
4,839 | C-34613-7933-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42579000
_cell_length_b 4.15209000
_cell_length_c 6.30264000
_cell_angle_alpha 110.57452000
_cell_angle_beta 79.18775000
_cell_angle_gamma 89.74663000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.20560717
_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 0.24994543 0.81796760 0.04178550 1
C C1 1 0.39781141 0.20385360 0.75157170 1
C C2 1 0.59698827 0.60361619 0.35824323 1
C C3 1 -0.26565321 -0.01116544 0.07282130 1
C C4 1 0.27459810 0.44329665 0.99696692 1
C C5 1 0.94808277 0.06013954 0.65195860 1
C C6 1 0.71670186 0.36201899 0.11412822 1
C C7 1 0.04749167 0.74738676 0.45734064 1
| -154.233639 |
9,857 | C-41310-6976-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43171000
_cell_length_b 3.96223000
_cell_length_c 4.66425000
_cell_angle_alpha 95.90917000
_cell_angle_beta 105.48933000
_cell_angle_gamma 90.16291000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.05610729
_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 0.95231569 1.07336017 -0.02179655 1
C C1 1 0.17268538 0.62547465 0.42042125 1
C C2 1 0.50682556 -0.03887106 0.08872561 1
C C3 1 0.83947419 0.29239407 0.75409237 1
C C4 1 0.28533665 0.40589763 0.64419436 1
C C5 1 0.61832494 0.73784634 0.31010557 1
| -154.4574 |
1,762 | C-170902-8935-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35019000
_cell_length_b 3.40662000
_cell_length_c 4.58065000
_cell_angle_alpha 89.18821000
_cell_angle_beta 111.46960000
_cell_angle_gamma 92.10170000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.61792883
_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 0.81606958 0.15460999 0.31054628 1
C C1 1 0.12041516 0.33512328 0.91548457 1
C C2 1 0.15258317 0.84733527 0.31062801 1
C C3 1 0.49470238 0.85825128 0.63075121 1
C C4 1 0.79438726 0.14463190 0.63058805 1
C C5 1 0.89500941 0.50105284 0.13024868 1
C C6 1 0.38159478 1.00116732 1.10515334 1
C C7 1 0.45472706 0.66787893 -0.08432233 1
| -154.196159 |
8,104 | C-76008-2415-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44851000
_cell_length_b 4.09365000
_cell_length_c 10.69864000
_cell_angle_alpha 72.50991000
_cell_angle_beta 62.71458000
_cell_angle_gamma 89.97183000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 89.69829645
_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 0.37327692 -0.26893260 0.13352822 1
C C1 1 0.30563231 0.52384398 0.91804438 1
C C2 1 0.83295455 0.73192094 0.65581968 1
C C3 1 0.88374611 0.73396393 0.87905720 1
C C4 1 0.73198364 0.62067736 0.20418399 1
C C5 1 0.25674557 0.88081691 0.69378086 1
C C6 1 0.44006732 0.27082379 0.60207356 1
C C7 1 0.69173915 -0.02296446 0.97520395 1
C C8 1 0.23395553 0.18351764 0.95394342 1
C C9 1 0.89010422 0.43994211 0.62687582 1
C C10 1 0.42355440 0.41126833 0.36004787 1
C C11 1 0.77349739 0.33529435 0.43534006 1
| -154.15653 |
1,070 | C-53801-6753-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43060000
_cell_length_b 4.67068000
_cell_length_c 3.91150000
_cell_angle_alpha 83.47392000
_cell_angle_beta 90.22924000
_cell_angle_gamma 74.43460000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.47213203
_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 0.12957907 0.60922427 0.09239066 1
C C1 1 0.35102307 0.16530357 0.64735822 1
C C2 1 0.01799907 0.83166349 0.31456965 1
C C3 1 0.68430256 0.49933973 -0.02032145 1
C C4 1 0.79666087 0.27464489 0.76124729 1
C C5 1 0.46315696 0.94179905 0.42697682 1
| -154.441235 |
4,335 | C-192709-1246-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45623000
_cell_length_b 4.98185000
_cell_length_c 9.80811000
_cell_angle_alpha 63.46004000
_cell_angle_beta 83.23325000
_cell_angle_gamma 85.98489000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 106.60219321
_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 0.84238574 0.31382733 0.86793379 1
C C1 1 0.65585255 0.51908155 0.50153926 1
C C2 1 0.83987030 0.47226307 0.15028702 1
C C3 1 -0.00597037 0.21263201 0.74271163 1
C C4 1 0.23311249 0.01696042 0.11053582 1
C C5 1 0.31276781 0.39337772 0.23091519 1
C C6 1 0.18837786 0.73000511 0.66133878 1
C C7 1 0.50978248 0.02839938 0.75621546 1
C C8 1 0.38366465 0.73664532 0.90498422 1
C C9 1 0.73054836 0.20333089 0.47390252 1
C C10 1 0.26969769 0.22526484 0.38826145 1
C C11 1 0.11904142 0.50468618 0.59403376 1
C C12 1 0.84684699 0.72371994 -0.00276378 1
C C13 1 0.66197692 0.77152801 0.34874529 1
C C14 1 0.66118637 -0.07217803 0.63096685 1
C C15 1 0.18928823 0.85071297 0.26792958 1
C C16 1 0.77257548 1.03739472 1.02498489 1
C C17 1 0.31492693 0.51173947 0.83765289 1
| -154.179233 |
3,050 | C-141045-9787-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46076000
_cell_length_b 6.03627000
_cell_length_c 3.39907000
_cell_angle_alpha 109.51306000
_cell_angle_beta 111.25940000
_cell_angle_gamma 101.74326000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.21085742
_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 0.47604223 0.06108052 0.47995958 1
C C1 1 0.71971358 0.33697835 0.69173755 1
C C2 1 0.57674113 0.73960460 0.00229668 1
C C3 1 -0.05286734 0.93466233 0.54705065 1
C C4 1 0.10701029 0.86620668 0.93546241 1
C C5 1 0.33324902 0.46370003 0.79208774 1
| -154.158899 |
972 | C-57148-8436-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48839000
_cell_length_b 5.55890000
_cell_length_c 4.30457000
_cell_angle_alpha 130.19447000
_cell_angle_beta 89.97269000
_cell_angle_gamma 102.94694000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.48820421
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.02640972 0.96672793 0.66066194 1
C C1 1 0.27654884 0.46666313 0.41195332 1
C C2 1 0.71339629 0.34160410 0.47432297 1
C C3 1 0.77655568 0.46665577 0.91195327 1
C C4 1 0.21340178 0.34157675 0.97431150 1
C C5 1 -0.03674967 -0.15832373 0.22303163 1
C C6 1 0.46325718 0.84166891 0.72303159 1
C C7 1 0.52640423 -0.03324471 0.16067340 1
| -154.549615 |
5,185 | C-72699-8017-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42641000
_cell_length_b 4.22635000
_cell_length_c 4.87715000
_cell_angle_alpha 88.12893000
_cell_angle_beta 60.11683000
_cell_angle_gamma 89.98729000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.33416061
_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 0.52721871 0.96228559 0.61016758 1
C C1 1 0.11063202 0.46844891 0.52606065 1
C C2 1 0.58583114 0.31159993 0.55098612 1
C C3 1 0.17205832 0.81733851 0.46556420 1
C C4 1 0.52261066 0.87743168 0.11598333 1
C C5 1 0.17945934 0.90084778 0.95933232 1
| -154.312357 |
7,021 | C-80188-9960-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43007000
_cell_length_b 6.02745000
_cell_length_c 4.42324000
_cell_angle_alpha 69.00830000
_cell_angle_beta 80.63162000
_cell_angle_gamma 99.34767000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.94236753
_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 0.41096556 0.74722880 0.77336142 1
C C1 1 0.66089889 0.49682938 0.27330412 1
C C2 1 0.24421838 0.58101108 0.10624772 1
C C3 1 0.91109994 0.24729679 0.77334965 1
C C4 1 -0.00604920 0.83048855 0.60621674 1
C C5 1 0.16084421 0.99677972 0.27328177 1
C C6 1 0.49390676 0.33058809 0.60624993 1
C C7 1 0.74423286 0.08098530 0.10624026 1
| -154.442489 |
3,589 | C-57162-5454-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72795000
_cell_length_b 3.26657000
_cell_length_c 4.54508000
_cell_angle_alpha 90.07783000
_cell_angle_beta 76.65717000
_cell_angle_gamma 46.42541000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.18344311
_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 -0.08550346 0.48551622 0.43233821 1
C C1 1 0.47015511 0.42997610 0.73525898 1
C C2 1 0.27562815 0.40506594 0.26633923 1
C C3 1 0.97025099 1.05831391 0.23521036 1
C C4 1 0.41477351 0.11361466 0.93232974 1
C C5 1 0.60913454 0.13863954 0.40120906 1
C C6 1 0.10912563 0.07038912 0.90107916 1
C C7 1 0.77594043 0.47315421 0.76641176 1
| -154.190013 |
8,956 | C-73669-4812-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48306000
_cell_length_b 2.48360000
_cell_length_c 12.31508000
_cell_angle_alpha 84.21668000
_cell_angle_beta 84.22988000
_cell_angle_gamma 59.96868000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 65.30513657
_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 0.90350448 0.46780587 0.63499123 1
C C1 1 0.77947321 0.34366403 0.00829007 1
C C2 1 0.62646599 0.18974125 0.46888347 1
C C3 1 0.73738967 0.30226534 0.13263359 1
C C4 1 0.67236592 1.22754671 0.34268079 1
C C5 1 0.45969664 0.02384930 -0.03317728 1
C C6 1 0.50457068 0.06088648 0.84231514 1
C C7 1 0.18550186 -0.25843668 0.80090779 1
C C8 1 1.22311756 0.78748915 0.67633665 1
C C9 1 -0.05384863 0.50938456 0.51050412 1
C C10 1 0.05696694 0.62184448 0.17449815 1
C C11 1 0.01989449 0.57537040 0.30060059 1
| -154.534321 |
3,588 | C-113052-6214-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43117000
_cell_length_b 4.20549000
_cell_length_c 6.12045000
_cell_angle_alpha 66.16238000
_cell_angle_beta 90.35997000
_cell_angle_gamma 90.01471000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.23760249
_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 0.55127815 0.81524097 0.41985694 1
C C1 1 0.47159513 1.14677348 -0.07879574 1
C C2 1 0.97158253 0.31485412 -0.08022563 1
C C3 1 0.55129076 0.14716032 0.42128684 1
C C4 1 1.05129076 0.64716032 0.42128684 1
C C5 1 0.97159513 0.64677348 0.92120426 1
C C6 1 1.05127815 0.31524097 0.41985694 1
C C7 1 0.47158253 -0.18514588 0.91977437 1
| -154.455419 |
2,466 | C-53806-1811-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51781000
_cell_length_b 3.31955000
_cell_length_c 3.51752000
_cell_angle_alpha 89.99980000
_cell_angle_beta 120.05596000
_cell_angle_gamma 89.99523000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.55278512
_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 0.73449963 0.07407600 -0.19101396 1
C C1 1 0.27055358 -0.09337324 0.57708910 1
C C2 1 0.96663074 0.23932514 0.57720172 1
C C3 1 0.27048146 0.57393102 0.88110809 1
C C4 1 1.03847941 0.73936539 1.11319995 1
C C5 1 0.73485199 0.40666749 0.11328661 1
| -154.409985 |
8,731 | C-53822-9555-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48260000
_cell_length_b 3.84325000
_cell_length_c 3.74723000
_cell_angle_alpha 90.00128000
_cell_angle_beta 90.01077000
_cell_angle_gamma 89.99739000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.75326674
_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 0.88586710 0.78911051 0.37278796 1
C C1 1 0.88612835 0.08376046 0.64054636 1
C C2 1 0.38609787 0.08371707 0.86927172 1
C C3 1 0.38583819 0.37875299 0.13705475 1
C C4 1 0.88595874 0.37877677 0.37284910 1
C C5 1 0.38572544 0.78908799 0.13705912 1
| -154.166929 |
7,848 | C-170344-2342-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.71593000
_cell_length_b 4.17089000
_cell_length_c 4.81424000
_cell_angle_alpha 74.25771000
_cell_angle_beta 95.33229000
_cell_angle_gamma 59.62876000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.51282431
_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 1.04996567 0.90948199 0.97257407 1
C C1 1 0.45186281 0.50591188 0.16321630 1
C C2 1 0.49123549 0.46963046 0.47153289 1
C C3 1 0.89291410 0.06619446 0.66199218 1
C C4 1 0.10630786 0.85257633 0.47087139 1
C C5 1 0.83686527 0.12304288 0.16382399 1
| -154.129091 |
1,318 | C-152591-5216-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44979000
_cell_length_b 5.71437000
_cell_length_c 5.23006000
_cell_angle_alpha 59.27092000
_cell_angle_beta 89.97119000
_cell_angle_gamma 90.01837000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 62.93563563
_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 -0.08449996 0.90461488 1.09838215 1
C C1 1 0.41508168 0.63018528 0.60884757 1
C C2 1 0.91442207 0.45269879 0.66944656 1
C C3 1 0.91314638 0.34139957 0.46702052 1
C C4 1 0.41373639 0.17788547 0.17952017 1
C C5 1 0.41278241 0.28903661 0.37766804 1
C C6 1 0.41507231 0.86286088 0.28491292 1
C C7 1 0.91406620 0.21932120 -0.00668123 1
C C8 1 0.41682225 0.74238511 0.81010612 1
C C9 1 0.91676938 0.79448241 -0.10029452 1
| -154.195776 |
8,411 | C-72748-2386-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46674000
_cell_length_b 3.34360000
_cell_length_c 6.12595000
_cell_angle_alpha 68.14470000
_cell_angle_beta 77.46151000
_cell_angle_gamma 110.59491000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.22098776
_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 0.31378749 0.44191888 0.23644332 1
C C1 1 0.30148207 0.62348696 0.44116008 1
C C2 1 0.60509486 0.14541624 0.36099185 1
C C3 1 0.62814832 0.79342424 0.96221535 1
C C4 1 0.59271410 0.32668235 0.56552488 1
C C5 1 0.27799716 -0.02921138 0.83916883 1
| -154.134943 |
6,423 | C-170924-4524-53 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05956000
_cell_length_b 4.58871000
_cell_length_c 4.84870000
_cell_angle_alpha 107.22966000
_cell_angle_beta 110.44154000
_cell_angle_gamma 104.08012000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.16617200
_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 0.65429668 0.31137099 0.79646500 1
C C1 1 0.15637182 -0.18883974 0.79676726 1
C C2 1 1.15636624 0.81116452 0.29677176 1
C C3 1 0.82594824 0.47702369 1.13075277 1
C C4 1 0.82595651 0.47701729 0.63074972 1
C C5 1 0.32404438 0.97720355 0.63052915 1
C C6 1 0.32402559 0.97719891 0.13052224 1
C C7 1 0.65428055 0.31136657 0.29645770 1
| -154.414205 |
5,085 | C-53832-8784-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42649000
_cell_length_b 3.07993000
_cell_length_c 5.69946000
_cell_angle_alpha 91.36346000
_cell_angle_beta 82.30739000
_cell_angle_gamma 81.36892000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.69120888
_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 0.83236258 0.17345182 0.53437808 1
C C1 1 0.60991545 0.61749936 0.97939000 1
C C2 1 0.49908903 0.84004045 0.20101274 1
C C3 1 0.16574646 0.50673177 -0.13230105 1
C C4 1 -0.05678017 0.95087543 0.31274219 1
C C5 1 0.27652026 0.28424427 0.64608843 1
| -154.391872 |
7,497 | C-92107-2920-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80360000
_cell_length_b 3.53672000
_cell_length_c 3.62770000
_cell_angle_alpha 100.54930000
_cell_angle_beta 107.66841000
_cell_angle_gamma 98.10913000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.69444603
_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 0.56857090 0.94791456 0.44602844 1
C C1 1 0.76048366 0.14097577 0.23322381 1
C C2 1 0.06680749 0.44864111 0.38572079 1
C C3 1 0.26038088 0.64194354 0.79276894 1
C C4 1 0.56670765 0.94743126 0.82612794 1
C C5 1 0.25881501 0.64177795 0.17312559 1
| -154.117159 |
9,751 | C-76026-3583-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42955000
_cell_length_b 4.20336000
_cell_length_c 5.98441000
_cell_angle_alpha 66.76573000
_cell_angle_beta 89.83781000
_cell_angle_gamma 89.98120000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.15777682
_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 0.45579067 0.86163650 0.55812811 1
C C1 1 0.45564294 0.88279740 0.05696494 1
C C2 1 0.95579222 0.36164636 0.55810228 1
C C3 1 0.95563427 0.38277857 0.05698063 1
C C4 1 0.45559016 0.55121099 0.05495747 1
C C5 1 -0.04440319 0.05119590 0.05498170 1
C C6 1 0.95574122 0.03005644 0.55614981 1
C C7 1 0.45573962 0.53007423 0.55612166 1
| -154.426071 |
513 | C-177236-5768-59 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46424000
_cell_length_b 3.58985000
_cell_length_c 9.50058000
_cell_angle_alpha 94.35827000
_cell_angle_beta 82.53519000
_cell_angle_gamma 69.90937000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 77.60215710
_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 0.45976714 1.02425047 0.44412131 1
C C1 1 0.60907101 0.39269574 0.77746636 1
C C2 1 0.87251208 -0.03077412 0.67370050 1
C C3 1 0.34076937 0.10676184 0.60009323 1
C C4 1 0.84744534 0.69754845 -0.00435023 1
C C5 1 0.15614179 0.85753780 0.21682808 1
C C6 1 0.03196505 0.20123818 0.12496931 1
C C7 1 0.79570868 0.63638053 0.15900792 1
C C8 1 0.61391163 0.13292945 0.02877069 1
C C9 1 0.07395929 0.53401256 0.70459095 1
C C10 1 0.02232951 0.97113987 0.37314114 1
C C11 1 0.48642740 0.47667193 0.93759475 1
| -154.1933 |
5,760 | C-134223-2022-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49110000
_cell_length_b 4.85116000
_cell_length_c 4.22659000
_cell_angle_alpha 89.99742000
_cell_angle_beta 52.69881000
_cell_angle_gamma 65.78236000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.78620709
_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 0.12970302 0.76690806 0.86734199 1
C C1 1 0.97656351 0.55244034 0.10345228 1
C C2 1 0.81425052 0.10249024 0.18701711 1
C C3 1 0.96755297 0.81693359 0.60801064 1
C C4 1 0.12949334 0.26693541 0.52931654 1
C C5 1 0.96739003 0.31695796 0.95090683 1
C C6 1 -0.18553980 0.60246288 0.52504256 1
C C7 1 0.97640057 0.05246471 0.44634846 1
| -154.105455 |
3,382 | C-134197-4068-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48701000
_cell_length_b 2.48688000
_cell_length_c 7.46026000
_cell_angle_alpha 70.50646000
_cell_angle_beta 90.00618000
_cell_angle_gamma 89.99510000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.49608882
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.05943341 0.04056714 0.66108239 1
C C1 1 0.55942349 0.66516789 0.03642461 1
C C2 1 0.55942349 0.16516789 0.53642461 1
C C3 1 0.05940003 0.41516024 0.78642744 1
C C4 1 0.05943341 0.54056714 0.16108239 1
C C5 1 0.55945687 0.79057478 0.41107956 1
C C6 1 0.05940003 0.91516024 0.28642744 1
C C7 1 0.55945687 0.29057478 0.91107956 1
| -154.546955 |
6,887 | C-40093-9787-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35745000
_cell_length_b 3.45763000
_cell_length_c 5.88481000
_cell_angle_alpha 82.08837000
_cell_angle_beta 64.48379000
_cell_angle_gamma 89.26286000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 60.98315914
_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 -0.01838054 0.64895504 0.28860049 1
C C1 1 0.49722615 0.15697310 0.26662423 1
C C2 1 1.00127146 0.22729880 0.70933559 1
C C3 1 0.43997432 0.84415718 0.13034227 1
C C4 1 1.03787185 0.27088628 0.43611795 1
C C5 1 0.97381045 0.58852690 0.82566769 1
C C6 1 0.76528477 0.53163371 0.12411019 1
C C7 1 0.70461544 0.96644964 0.43345930 1
C C8 1 0.35002698 -0.09237475 0.70656318 1
C C9 1 0.62364363 0.91346550 0.84650342 1
| -154.240767 |
219 | C-73617-587-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85213000
_cell_length_b 3.09468000
_cell_length_c 4.76592000
_cell_angle_alpha 107.20011000
_cell_angle_beta 58.05052000
_cell_angle_gamma 91.81697000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.31610975
_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 0.19410988 0.21738620 0.34549529 1
C C1 1 0.02783509 0.55249299 0.67809953 1
C C2 1 0.02756319 0.05022645 0.17854560 1
C C3 1 0.52783509 0.55249299 0.67809953 1
C C4 1 0.52756319 1.05022645 0.17854560 1
C C5 1 0.69410988 0.21738620 0.34549529 1
C C6 1 0.69383798 0.71511965 0.84594135 1
C C7 1 0.19383798 0.71511965 0.84594135 1
| -154.446701 |
9,809 | C-9624-7158-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41518000
_cell_length_b 3.43012000
_cell_length_c 4.25142000
_cell_angle_alpha 89.73800000
_cell_angle_beta 90.29747000
_cell_angle_gamma 89.80191000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 49.80166908
_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 0.92940676 0.11768767 0.13188041 1
C C1 1 0.59106570 0.92987990 0.62857089 1
C C2 1 0.84215561 0.18234919 0.46622991 1
C C3 1 0.65430109 0.84170369 0.96336851 1
C C4 1 1.08953209 0.43052780 0.62880678 1
C C5 1 0.34072499 0.68293091 0.46612808 1
C C6 1 0.27602745 0.77108429 0.13142330 1
C C7 1 -0.00065299 0.49548034 0.96316573 1
| -154.099803 |
8,404 | C-76032-8953-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48787000
_cell_length_b 4.30468000
_cell_length_c 4.30426000
_cell_angle_alpha 109.47335000
_cell_angle_beta 89.98176000
_cell_angle_gamma 90.00952000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.45953367
_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 0.85175180 0.55035087 0.90789365 1
C C1 1 0.35175180 0.05035087 0.90789365 1
C C2 1 0.35175180 0.55035087 0.40789365 1
C C3 1 0.85175180 0.42535002 0.53289451 1
C C4 1 0.35175180 0.42535002 1.03289451 1
C C5 1 0.85175180 0.92535002 0.03289451 1
C C6 1 0.85175180 0.05035087 0.40789365 1
C C7 1 0.35175180 0.92535002 0.53289451 1
| -154.542815 |
7,972 | C-157697-2818-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42661000
_cell_length_b 4.22401000
_cell_length_c 4.87491000
_cell_angle_alpha 88.84840000
_cell_angle_beta 60.10050000
_cell_angle_gamma 89.99216000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.30570573
_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 0.71390899 0.24290353 0.54137479 1
C C1 1 0.70873065 0.15769962 0.04665633 1
C C2 1 0.64788593 0.80936806 1.10774066 1
C C3 1 0.12249593 0.65261839 0.13273598 1
C C4 1 0.06240501 0.30434196 0.19286999 1
C C5 1 0.05706509 0.21887744 0.69784465 1
| -154.31773 |
7,006 | C-127236-582-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48824000
_cell_length_b 5.57354000
_cell_length_c 9.15409000
_cell_angle_alpha 70.44400000
_cell_angle_beta 74.20557000
_cell_angle_gamma 63.44002000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 105.86721490
_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 0.06547675 0.90329624 0.26053858 1
C C1 1 1.02903953 0.53175736 0.16879234 1
C C2 1 0.43256197 -0.05421400 0.35114560 1
C C3 1 0.14854739 0.55471657 0.52457341 1
C C4 1 0.61854831 0.35413588 0.75607154 1
C C5 1 0.45118665 0.35264333 0.42578459 1
C C6 1 0.50498307 0.72587439 0.49717700 1
C C7 1 0.01438686 0.11658307 0.10100224 1
C C8 1 -0.28159519 0.78920504 0.71979894 1
C C9 1 0.15234356 0.58575200 -0.00908420 1
C C10 1 0.72692365 0.13384751 0.86873373 1
C C11 1 0.10822329 0.17018169 0.45148153 1
C C12 1 0.39516678 0.58168924 0.25213326 1
C C13 1 0.27047040 0.01620062 -0.05642210 1
C C14 1 0.34557899 0.29382206 0.09244767 1
C C15 1 1.58712299 0.72839612 0.91339283 1
C C16 1 0.20650465 0.90275121 0.61840115 1
C C17 1 0.04274475 0.48845966 0.69713029 1
| -154.130753 |
7,622 | C-189713-5516-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48134000
_cell_length_b 3.68829000
_cell_length_c 4.21713000
_cell_angle_alpha 104.93137000
_cell_angle_beta 89.95112000
_cell_angle_gamma 109.63846000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.96619162
_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 0.16037800 0.95720069 0.80188685 1
C C1 1 0.64024105 0.91672079 0.57934422 1
C C2 1 0.84129030 0.31415487 0.50357861 1
C C3 1 0.41972528 0.47146530 0.37301870 1
C C4 1 0.38397531 0.40286183 1.00821547 1
C C5 1 -0.03770864 0.55940982 0.87732945 1
| -154.308778 |
9,393 | C-170890-7665-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43218000
_cell_length_b 4.54574000
_cell_length_c 6.31628000
_cell_angle_alpha 63.01616000
_cell_angle_beta 69.47594000
_cell_angle_gamma 75.93886000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.98556204
_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 0.99578484 0.46482806 0.68547471 1
C C1 1 0.49569960 0.96483548 0.43545839 1
C C2 1 -0.00497345 0.79746455 0.01981245 1
C C3 1 0.49528571 0.29738193 0.76963847 1
C C4 1 0.49570337 0.96483364 0.93551448 1
C C5 1 -0.00450910 0.46488088 1.18560848 1
C C6 1 0.49503955 0.29744546 0.26971358 1
C C7 1 0.99515077 0.79742831 0.51969814 1
| -154.455255 |
3,031 | C-107738-4561-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.02331000
_cell_length_b 4.77650000
_cell_length_c 4.85481000
_cell_angle_alpha 107.31518000
_cell_angle_beta 109.50199000
_cell_angle_gamma 106.87463000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.87026666
_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 0.53520360 0.16874508 0.90909555 1
C C1 1 0.70349811 0.33480028 0.24284977 1
C C2 1 0.53517843 0.16875123 0.40909313 1
C C3 1 1.20467942 0.83466928 0.74296917 1
C C4 1 0.03458213 0.66879323 0.90901679 1
C C5 1 1.03455965 0.66879669 0.40901784 1
C C6 1 0.70348383 0.33480439 0.74284551 1
C C7 1 0.20466823 0.83467142 0.24296694 1
| -154.430376 |
4,384 | C-184076-5045-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48075000
_cell_length_b 3.68884000
_cell_length_c 4.21807000
_cell_angle_alpha 104.79234000
_cell_angle_beta 90.02541000
_cell_angle_gamma 109.65936000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98682906
_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 -0.04851696 0.21125543 1.01923386 1
C C1 1 0.40584943 0.12538446 0.51550201 1
C C2 1 0.72686438 0.76566019 0.81266554 1
C C3 1 0.20777497 0.72742759 0.59077966 1
C C4 1 0.53005985 0.36839066 0.88853626 1
C C5 1 0.98396403 0.28191196 0.38444307 1
| -154.309757 |
7,774 | C-53818-5632-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48110000
_cell_length_b 3.68827000
_cell_length_c 4.83656000
_cell_angle_alpha 57.47377000
_cell_angle_beta 104.79459000
_cell_angle_gamma 109.64242000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98993891
_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 0.93473680 0.64786081 0.37640560 1
C C1 1 0.89695914 -0.05598331 1.01155256 1
C C2 1 0.67514672 0.70486889 0.80489493 1
C C3 1 0.35644023 0.36038462 0.50731128 1
C C4 1 0.15481015 0.88705884 0.58284544 1
C C5 1 0.47540936 0.23171946 0.88068469 1
| -154.309204 |
2,818 | C-126181-8319-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45074000
_cell_length_b 5.50889000
_cell_length_c 4.75650000
_cell_angle_alpha 91.35585000
_cell_angle_beta 82.11768000
_cell_angle_gamma 114.21158000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.97703901
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.07973061 0.45507788 0.07167501 1
C C1 1 0.97444575 0.40762657 0.56740969 1
C C2 1 0.18635402 0.70737251 0.53663272 1
C C3 1 -0.07543931 0.26921688 0.83337163 1
C C4 1 0.82802046 0.79237829 0.35222556 1
C C5 1 0.82642188 0.25219075 0.31432504 1
C C6 1 0.75287756 0.63019353 1.07502283 1
C C7 1 0.07687071 0.81699104 0.82494031 1
C C8 1 0.25866059 0.09151052 0.91022560 1
C C9 1 1.17018073 0.08317471 0.24621420 1
| -154.113406 |
4,989 | C-96682-5217-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46025000
_cell_length_b 3.39526000
_cell_length_c 6.01824000
_cell_angle_alpha 109.17650000
_cell_angle_beta 78.17290000
_cell_angle_gamma 68.80456000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.17023134
_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 0.56205629 0.07859361 0.18894112 1
C C1 1 0.93272706 0.53475287 -0.00623455 1
C C2 1 0.31691111 0.29222421 0.46471710 1
C C3 1 0.09298674 0.14507954 0.06172831 1
C C4 1 0.70403893 0.39278655 0.59136916 1
C C5 1 0.46160469 0.60320661 0.86725396 1
| -154.154183 |
684 | C-41268-3496-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42635000
_cell_length_b 4.22593000
_cell_length_c 4.22706000
_cell_angle_alpha 92.44743000
_cell_angle_beta 90.00115000
_cell_angle_gamma 90.00165000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.30298400
_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 0.43750348 0.27608580 0.55677651 1
C C1 1 0.93724445 0.71108425 1.12137203 1
C C2 1 0.43736539 -0.13231382 0.14511283 1
C C3 1 0.43739342 0.21730769 0.20697630 1
C C4 1 0.93739887 0.30028440 0.71353383 1
C C5 1 0.93748569 0.36125897 0.06258841 1
| -154.307875 |
6,394 | C-107752-5318-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71231000
_cell_length_b 4.57776000
_cell_length_c 5.40155000
_cell_angle_alpha 61.59492000
_cell_angle_beta 69.88149000
_cell_angle_gamma 66.07214000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 72.48982609
_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 0.30134710 1.07885941 0.23375516 1
C C1 1 0.18276965 0.00910769 0.78032716 1
C C2 1 0.75778601 0.27269217 0.79459091 1
C C3 1 0.85078788 0.88538873 0.56757069 1
C C4 1 0.55783329 1.31747389 0.08011912 1
C C5 1 0.83373872 0.57669118 0.26825315 1
C C6 1 0.85281969 0.22792147 0.27327008 1
C C7 1 0.70341604 0.62206775 0.55345290 1
C C8 1 0.49210021 0.81540855 1.11468207 1
C C9 1 0.27305873 0.86843962 0.55304711 1
C C10 1 0.23258263 0.66640523 0.07483106 1
C C11 1 0.57411526 0.02581131 0.79498940 1
| -154.069039 |
7,789 | C-57148-8436-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45493000
_cell_length_b 3.35056000
_cell_length_c 8.16396000
_cell_angle_alpha 85.78165000
_cell_angle_beta 63.22705000
_cell_angle_gamma 68.67027000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 55.51627174
_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 0.78385005 1.03057748 0.92614924 1
C C1 1 0.24823482 0.20625504 0.55761356 1
C C2 1 0.95388649 -0.17087253 0.21285186 1
C C3 1 0.63514649 1.16361147 0.64739024 1
C C4 1 0.52657320 0.24144571 0.36010501 1
C C5 1 0.08489105 0.39725468 0.26933465 1
C C6 1 0.51276395 -0.01613159 0.12230945 1
C C7 1 0.39331774 0.07804793 0.83691730 1
| -154.201998 |
1,181 | C-92132-9617-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45989000
_cell_length_b 3.39514000
_cell_length_c 6.01402000
_cell_angle_alpha 109.06113000
_cell_angle_beta 101.84282000
_cell_angle_gamma 111.19806000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.17428924
_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 -0.04221432 1.07203434 0.69406666 1
C C1 1 0.81546065 0.38558372 0.09655823 1
C C2 1 0.57160094 0.17408787 0.82083431 1
C C3 1 0.34587464 0.31756649 0.22350707 1
C C4 1 0.71462751 0.85937824 0.41839273 1
C C5 1 0.18539007 0.92746854 0.29142430 1
| -154.15452 |
718 | C-176635-5996-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48783000
_cell_length_b 3.51628000
_cell_length_c 4.30376000
_cell_angle_alpha 65.89186000
_cell_angle_beta 73.21632000
_cell_angle_gamma 90.00035000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.60005010
_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 0.30126812 0.74557672 0.41794641 1
C C1 1 0.13438893 0.32857656 0.75145752 1
C C2 1 0.96798381 0.41225326 0.08460273 1
C C3 1 0.63439242 0.07894822 0.75127393 1
C C4 1 0.80126251 0.99522207 0.41815261 1
C C5 1 0.46800192 0.66192006 0.08476760 1
| -154.54769 |
7,690 | C-172939-8068-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48122000
_cell_length_b 3.68896000
_cell_length_c 4.83919000
_cell_angle_alpha 57.43572000
_cell_angle_beta 104.82567000
_cell_angle_gamma 109.64265000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00078724
_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 0.34381771 0.72328618 0.94504957 1
C C1 1 0.86335929 0.54072895 0.16704655 1
C C2 1 0.11992531 0.48439072 0.73828449 1
C C3 1 0.66314303 0.06806433 0.24227147 1
C C4 1 0.08525821 0.78069445 0.37315125 1
C C5 1 0.54147006 0.19671557 0.86910788 1
| -154.311288 |
6,831 | C-142789-7601-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42975000
_cell_length_b 3.23025000
_cell_length_c 7.87521000
_cell_angle_alpha 70.96537000
_cell_angle_beta 84.28166000
_cell_angle_gamma 82.90049000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.86641055
_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 0.55253956 0.99380311 0.31893325 1
C C1 1 0.05254317 0.49383740 0.56894228 1
C C2 1 0.55183780 0.32922665 0.15315817 1
C C3 1 1.05254349 0.49375070 0.06892285 1
C C4 1 1.05185479 0.82925004 0.90315423 1
C C5 1 0.55255115 -0.00620202 0.81892709 1
C C6 1 0.05183301 0.82929202 0.40317005 1
C C7 1 0.55184663 0.32929859 0.65317079 1
| -154.442904 |
4,878 | C-13644-8695-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35259000
_cell_length_b 3.40636000
_cell_length_c 4.58049000
_cell_angle_alpha 89.26685000
_cell_angle_beta 68.53945000
_cell_angle_gamma 87.90665000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.65063273
_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 0.18964483 0.00934782 -0.07174203 1
C C1 1 0.84901964 0.48405851 0.64338698 1
C C2 1 0.74966257 0.84338367 0.14266037 1
C C3 1 0.49038014 0.18883793 0.32282738 1
C C4 1 0.14867397 0.19713381 0.64266621 1
C C5 1 0.52442803 0.67666859 0.92829207 1
C C6 1 0.82794058 0.49690629 0.32302139 1
C C7 1 0.26246354 0.34345327 0.11733294 1
| -154.200136 |
1,062 | C-113062-5806-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46943000
_cell_length_b 3.78470000
_cell_length_c 5.68579000
_cell_angle_alpha 89.96251000
_cell_angle_beta 64.09365000
_cell_angle_gamma 89.92476000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.79960499
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.25223482 0.64862606 0.63970841 1
C C1 1 0.25325760 0.26180676 0.63956177 1
C C2 1 -0.08680424 0.75491805 0.47998158 1
C C3 1 0.79537345 0.45518264 0.09943254 1
C C4 1 1.12110652 0.45543427 0.27229817 1
C C5 1 -0.02261968 0.76900885 -0.08554918 1
C C6 1 -0.08581770 0.15595013 0.47985653 1
C C7 1 0.97837664 0.14054304 0.91433289 1
| -154.108071 |
4,215 | C-170374-5689-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30614000
_cell_length_b 3.62454000
_cell_length_c 5.61401000
_cell_angle_alpha 85.51975000
_cell_angle_beta 87.90102000
_cell_angle_gamma 74.82422000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 64.72043194
_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 0.95130116 0.72931349 0.33817648 1
C C1 1 0.27372546 0.68563680 0.13461520 1
C C2 1 -0.12602654 0.61527362 0.77206839 1
C C3 1 0.44550760 0.19691833 0.56442188 1
C C4 1 0.53221638 -0.05608449 0.77566088 1
C C5 1 0.70666526 0.45813578 0.20516922 1
C C6 1 0.29263363 1.02549681 0.98018848 1
C C7 1 0.02885843 0.41387128 0.00238119 1
C C8 1 0.68420708 0.11774310 0.35928280 1
C C9 1 0.10307893 0.52611538 0.56820639 1
| -154.137459 |
5,891 | C-152587-3980-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26919000
_cell_length_b 3.27270000
_cell_length_c 3.63227000
_cell_angle_alpha 104.53390000
_cell_angle_beta 104.50561000
_cell_angle_gamma 80.85136000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.22702991
_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 0.78872486 0.32502763 0.32993434 1
C C1 1 0.57750835 0.11112736 0.56742628 1
C C2 1 0.20666353 0.69742227 0.94835714 1
C C3 1 0.93822269 0.75075967 0.56711521 1
C C4 1 0.52273484 0.37958465 0.94858243 1
C C5 1 0.15061763 0.96382981 0.32952039 1
| -154.198986 |
8,173 | C-13683-6794-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47416000
_cell_length_b 4.11798000
_cell_length_c 4.28275000
_cell_angle_alpha 89.98567000
_cell_angle_beta 90.01019000
_cell_angle_gamma 90.00378000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.63497352
_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 0.56088255 1.08303026 0.55973500 1
C C1 1 0.56070204 0.58300835 -0.10692713 1
C C2 1 0.56084333 0.45807582 0.55976729 1
C C3 1 0.06069620 0.45804743 0.05977529 1
C C4 1 0.06080885 0.58304022 0.39306131 1
C C5 1 0.56075646 -0.04195360 0.89307152 1
C C6 1 1.06078212 0.95806573 0.39305839 1
C C7 1 1.06081525 0.08302699 0.05974002 1
| -154.524651 |
5,253 | C-136245-2409-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20991000
_cell_length_b 3.91242000
_cell_length_c 4.64048000
_cell_angle_alpha 83.01940000
_cell_angle_beta 99.86252000
_cell_angle_gamma 109.55385000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 70.79064255
_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 0.88217089 0.83924403 -0.01463783 1
C C1 1 0.48158686 1.03739403 0.18701005 1
C C2 1 0.28195677 0.63854420 0.78589512 1
C C3 1 0.81464475 1.03441111 0.18870107 1
C C4 1 0.21503420 0.83601133 -0.01278255 1
C C5 1 0.08139856 0.23572656 0.38844163 1
C C6 1 0.41438236 0.23273493 0.39026040 1
C C7 1 0.68175924 0.43640541 0.58800937 1
C C8 1 0.01443970 0.43302435 0.59005616 1
C C9 1 0.61476967 0.63544055 0.78776678 1
| -154.441499 |
5,097 | C-141074-4201-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42568000
_cell_length_b 4.21768000
_cell_length_c 4.21814000
_cell_angle_alpha 90.36853000
_cell_angle_beta 89.96908000
_cell_angle_gamma 89.99690000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.15380312
_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 -0.12660990 0.35346054 0.75646155 1
C C1 1 0.37348625 0.32574177 0.60049323 1
C C2 1 0.37345590 0.26763543 0.25197691 1
C C3 1 0.37348452 0.91981234 0.18988665 1
C C4 1 0.87349549 0.41526206 0.10411182 1
C C5 1 0.87351295 0.76392918 0.16238054 1
| -154.313494 |
7,742 | C-130522-136-51 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42825000
_cell_length_b 3.13453000
_cell_length_c 10.51834000
_cell_angle_alpha 97.24329000
_cell_angle_beta 76.31687000
_cell_angle_gamma 113.32788000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 71.38138125
_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 0.65661091 0.89019610 0.72840018 1
C C1 1 0.25974056 0.69313491 0.52815109 1
C C2 1 0.18986581 0.82335749 0.66183760 1
C C3 1 0.45183579 0.28264579 0.12879743 1
C C4 1 0.85680349 0.48884416 0.32839295 1
C C5 1 -0.01823250 0.21251586 1.06256865 1
C C6 1 0.05158883 0.08369500 0.92879840 1
C C7 1 0.79036722 0.62273228 0.46182684 1
C C8 1 0.38570194 0.41661333 0.26224719 1
C C9 1 0.58454073 0.01730099 0.86228978 1
| -154.447563 |
7,256 | C-141029-5572-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53237000
_cell_length_b 5.35087000
_cell_length_c 5.74710000
_cell_angle_alpha 61.66608000
_cell_angle_beta 66.65766000
_cell_angle_gamma 62.39538000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 82.53659075
_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 0.34026522 0.86484554 0.32252824 1
C C1 1 0.71653102 0.58897960 0.27986825 1
C C2 1 0.88469780 0.44578189 0.54479829 1
C C3 1 0.71158374 0.67050444 0.69149147 1
C C4 1 0.65103693 0.26028461 0.82501178 1
C C5 1 0.33319258 0.22151391 0.50379366 1
C C6 1 0.64667131 0.34132486 0.23704088 1
C C7 1 0.31512111 0.91106779 0.55577927 1
C C8 1 0.47810380 0.48476085 0.97216047 1
C C9 1 0.88995761 0.83133538 0.75246957 1
C C10 1 1.02997839 0.70884594 1.01336681 1
C C11 1 0.47356328 0.09884692 0.76417726 1
C C12 1 0.04779023 0.01949976 0.96064501 1
C C13 1 0.02395957 0.06583941 0.19347915 1
| -154.080249 |
2,134 | C-9636-6240-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43774000
_cell_length_b 4.68800000
_cell_length_c 4.69180000
_cell_angle_alpha 75.48550000
_cell_angle_beta 74.89847000
_cell_angle_gamma 105.04466000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.98997500
_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 0.71145092 0.11638874 0.60910399 1
C C1 1 0.50553525 0.06235008 -0.03054852 1
C C2 1 0.84594998 0.64677643 0.87556031 1
C C3 1 0.57630659 0.63795364 0.40129429 1
C C4 1 0.57516848 0.32270346 1.08858578 1
C C5 1 0.50704375 0.75671541 0.66182966 1
C C6 1 0.38742944 0.29357851 0.43225319 1
C C7 1 -0.15409732 0.84958004 1.07754332 1
| -154.169386 |
2,875 | C-34641-3163-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48411000
_cell_length_b 5.52345000
_cell_length_c 6.33646000
_cell_angle_alpha 60.49324000
_cell_angle_beta 101.31192000
_cell_angle_gamma 77.01034000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.73278598
_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 0.35725147 0.55130168 0.73060685 1
C C1 1 0.77021001 0.94179142 -0.04974286 1
C C2 1 0.63421261 0.61499061 0.35424111 1
C C3 1 0.43564364 0.93158877 0.26846844 1
C C4 1 0.79060917 0.06278554 0.10985485 1
C C5 1 1.15822097 0.38129939 0.16603517 1
C C6 1 0.58854669 0.37956563 1.02358094 1
C C7 1 0.45454604 0.05266971 0.42794335 1
C C8 1 0.09111900 0.94559013 0.59363332 1
C C9 1 0.06285409 0.61387505 0.21140119 1
C C10 1 0.86943943 0.44221330 0.64759975 1
C C11 1 0.13341428 1.04898936 0.78449938 1
| -154.196664 |
892 | C-92154-4888-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47836000
_cell_length_b 4.53069000
_cell_length_c 5.36920000
_cell_angle_alpha 53.24032000
_cell_angle_beta 90.23582000
_cell_angle_gamma 57.59919000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.77258208
_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 0.17112437 1.17309523 -0.04367697 1
C C1 1 0.60789493 0.73514238 0.68867786 1
C C2 1 0.87974044 -0.03550696 0.45980789 1
C C3 1 0.31680541 0.52637531 0.19221860 1
C C4 1 0.58345166 0.76224937 0.95642598 1
C C5 1 -0.09577480 0.93733166 0.19207194 1
| -154.145959 |
775 | C-90849-4956-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48337000
_cell_length_b 5.01201000
_cell_length_c 5.41704000
_cell_angle_alpha 48.82945000
_cell_angle_beta 112.82194000
_cell_angle_gamma 94.51509000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.23950102
_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 0.96728884 0.17934514 0.90233756 1
C C1 1 0.05297191 0.51103817 -0.14518531 1
C C2 1 0.64571840 -0.05156257 1.13351151 1
C C3 1 0.84717978 0.90037462 0.46565169 1
C C4 1 0.44327706 0.99555547 0.56131365 1
C C5 1 0.52809500 0.32713207 0.51315109 1
C C6 1 0.64909867 0.60638081 0.95057982 1
C C7 1 -0.14989285 0.55821529 0.28254607 1
| -154.068086 |
224 | C-53850-732-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42609000
_cell_length_b 4.21797000
_cell_length_c 4.21858000
_cell_angle_alpha 89.52221000
_cell_angle_beta 89.99726000
_cell_angle_gamma 89.99839000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.16796567
_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 0.21738349 0.59190329 0.04227604 1
C C1 1 0.71717022 0.67944113 0.53785377 1
C C2 1 0.71752808 1.08773427 0.13108347 1
C C3 1 0.71729471 0.73914074 0.18982017 1
C C4 1 0.21746295 0.24345166 0.10341535 1
C C5 1 0.21713504 0.65130621 0.69373130 1
| -154.313791 |
556 | C-148284-9021-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47209000
_cell_length_b 3.88468000
_cell_length_c 5.96309000
_cell_angle_alpha 89.47502000
_cell_angle_beta 78.03565000
_cell_angle_gamma 90.04184000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.01867541
_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 0.29186303 0.76881583 0.46136356 1
C C1 1 0.48645643 0.77282758 0.07063538 1
C C2 1 0.82268476 0.57789618 0.39746526 1
C C3 1 0.61563828 0.85922734 0.82210693 1
C C4 1 0.95422112 0.58115079 0.13540103 1
C C5 1 0.88718583 0.25304131 0.26606076 1
C C6 1 0.38748563 0.04632809 0.26558310 1
C C7 1 0.17313112 0.85691339 0.70821718 1
| -154.129826 |
6,835 | C-40130-2113-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47299000
_cell_length_b 3.67930000
_cell_length_c 8.81838000
_cell_angle_alpha 65.85933000
_cell_angle_beta 73.74988000
_cell_angle_gamma 89.97606000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 69.69693914
_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 0.37724633 1.23159433 0.16639531 1
C C1 1 0.63364957 0.24405510 0.40957272 1
C C2 1 0.53551101 0.22539578 0.00859652 1
C C3 1 0.88797538 0.73970073 0.65496184 1
C C4 1 0.79233931 0.24063477 0.25122623 1
C C5 1 -0.11067164 0.33416207 0.65367087 1
C C6 1 0.28128529 0.72729418 0.76294410 1
C C7 1 0.27943719 0.13199560 0.76490039 1
C C8 1 0.13677238 0.28809349 0.90695206 1
C C9 1 1.03264358 0.18016855 0.51115656 1
| -154.216995 |
5,735 | C-176650-8554-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47002000
_cell_length_b 3.40294000
_cell_length_c 7.58831000
_cell_angle_alpha 102.65467000
_cell_angle_beta 90.56360000
_cell_angle_gamma 110.76955000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.92021852
_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 0.97892190 0.24625976 0.74824852 1
C C1 1 0.43369750 0.15926543 0.63319650 1
C C2 1 0.59492424 0.48061520 0.48974230 1
C C3 1 0.84313682 -0.03166194 0.89531380 1
C C4 1 -0.16609984 0.93119529 0.26654046 1
C C5 1 0.21330388 0.72535612 0.52200077 1
C C6 1 0.61340244 0.49725707 0.15610647 1
C C7 1 0.45302637 0.17622916 0.29889078 1
C C8 1 0.20432799 0.68950667 0.89301747 1
C C9 1 0.06662610 0.41083384 1.04043124 1
| -154.108091 |
1,490 | C-47618-2147-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42872000
_cell_length_b 4.16215000
_cell_length_c 6.17484000
_cell_angle_alpha 109.16562000
_cell_angle_beta 101.52253000
_cell_angle_gamma 90.15555000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.61413553
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.10417313 0.82091854 0.16357145 1
C C1 1 0.55475993 0.87277668 0.06674565 1
C C2 1 0.86911750 0.65883822 0.70041308 1
C C3 1 0.74646711 0.64299383 0.45039005 1
C C4 1 -0.11360620 0.33022907 0.74465056 1
C C5 1 0.19809252 0.69207143 0.35221513 1
C C6 1 0.40059507 0.18911985 0.77416227 1
C C7 1 0.42925154 0.86151809 0.81798910 1
| -154.23522 |
5,167 | C-107746-1080-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15162000
_cell_length_b 3.28612000
_cell_length_c 4.68664000
_cell_angle_alpha 59.62229000
_cell_angle_beta 62.06819000
_cell_angle_gamma 77.26202000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.72329461
_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 0.25670960 0.19642875 1.04440951 1
C C1 1 0.43118408 0.71980063 0.18155752 1
C C2 1 1.12003310 0.03194653 0.86909041 1
C C3 1 0.77101711 0.70695534 0.21782760 1
C C4 1 0.08210208 0.39492825 0.53041136 1
C C5 1 0.76901135 0.77113258 0.53199548 1
C C6 1 0.94571757 0.23016319 0.35520932 1
C C7 1 0.43312181 0.65586702 0.86738989 1
| -154.159644 |
9,837 | C-106893-7976-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.97568000
_cell_length_b 4.20849000
_cell_length_c 4.85130000
_cell_angle_alpha 89.80936000
_cell_angle_beta 101.66548000
_cell_angle_gamma 106.34668000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.00051119
_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 0.51582184 0.28592403 0.61511393 1
C C1 1 0.51574813 0.78593512 0.36515665 1
C C2 1 0.51423070 -0.04763349 0.11478330 1
C C3 1 0.51572380 0.78591786 0.86509164 1
C C4 1 0.51424102 0.45239434 0.36480473 1
C C5 1 0.51421669 0.45237708 0.86473972 1
C C6 1 0.51414298 0.95238816 0.61478244 1
C C7 1 0.51573412 0.28594569 0.11511307 1
| -154.420729 |
867 | C-34637-5565-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47368000
_cell_length_b 4.30499000
_cell_length_c 4.96365000
_cell_angle_alpha 90.00778000
_cell_angle_beta 119.92169000
_cell_angle_gamma 90.02931000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.81308196
_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 0.84559950 0.93325619 0.37970423 1
C C1 1 0.48396831 0.79400215 0.51851976 1
C C2 1 0.48406987 0.93201531 0.01851346 1
C C3 1 0.84580476 0.79256175 0.87984700 1
C C4 1 -0.15526884 0.29408682 0.37842074 1
C C5 1 0.48305015 0.43336057 0.51722559 1
C C6 1 0.84401936 0.43187057 0.87831462 1
C C7 1 0.48246069 0.29256313 1.01719820 1
| -154.326933 |
3,872 | C-9630-678-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.58164000
_cell_length_b 4.85881000
_cell_length_c 4.38619000
_cell_angle_alpha 77.64574000
_cell_angle_beta 69.71120000
_cell_angle_gamma 69.15857000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.97064934
_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 0.17119014 0.00833189 0.54485145 1
C C1 1 0.62889159 0.26603296 1.04115117 1
C C2 1 0.40619261 0.54205461 0.19616827 1
C C3 1 0.86504296 0.29524269 0.68270438 1
C C4 1 0.52225734 0.01314584 0.21573860 1
C C5 1 0.82870894 0.72608757 1.07736249 1
C C6 1 0.06481928 0.75528639 0.71901254 1
C C7 1 0.28845984 0.47883396 0.56371000 1
| -154.153336 |
3,472 | C-9603-8567-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24395000
_cell_length_b 4.20501000
_cell_length_c 5.45901000
_cell_angle_alpha 67.34805000
_cell_angle_beta 117.53297000
_cell_angle_gamma 119.70243000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 73.48006269
_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 0.54132656 0.95608304 -0.03038440 1
C C1 1 -0.07230475 0.62796277 0.05487442 1
C C2 1 0.53173189 0.71130899 0.45631065 1
C C3 1 0.32443313 0.48943976 0.68012552 1
C C4 1 0.53163221 0.06925881 0.45634526 1
C C5 1 0.92766999 0.95025948 1.05484720 1
C C6 1 0.31322358 0.61185706 0.16122148 1
C C7 1 0.31318302 0.24542429 0.16120562 1
C C8 1 0.89834643 0.67280690 0.57589532 1
C C9 1 0.89822869 0.35480839 0.57590509 1
C C10 1 0.32446572 0.85981070 0.68022133 1
C C11 1 0.54134112 0.32102890 0.96954670 1
| -154.078026 |
4,943 | C-193956-5355-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48107000
_cell_length_b 4.83886000
_cell_length_c 4.21682000
_cell_angle_alpha 132.56022000
_cell_angle_beta 89.96405000
_cell_angle_gamma 104.88224000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.95654013
_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 0.87646308 0.11728913 0.98958898 1
C C1 1 0.13185819 0.63200164 0.93294091 1
C C2 1 0.35677452 1.07788405 0.17226117 1
C C3 1 1.10007234 0.56300693 0.22889579 1
C C4 1 0.67836834 0.71967309 0.51640715 1
C C5 1 0.55336223 0.47525147 0.64541570 1
| -154.306758 |
7,641 | C-194797-5170-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48563000
_cell_length_b 5.82821000
_cell_length_c 7.17311000
_cell_angle_alpha 96.92100000
_cell_angle_beta 89.98280000
_cell_angle_gamma 90.00173000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 103.15801110
_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 0.43296676 0.30963783 1.08995386 1
C C1 1 0.43333953 0.94808676 0.73278878 1
C C2 1 0.93283650 0.38767831 0.77887142 1
C C3 1 0.43246049 0.57077986 0.12480509 1
C C4 1 -0.06605755 0.65214881 0.49912291 1
C C5 1 0.93372853 0.37161055 0.41243509 1
C C6 1 0.43339909 0.99838145 0.38290215 1
C C7 1 0.43274190 0.52992639 0.77583907 1
C C8 1 0.93249505 0.70860611 0.18113432 1
C C9 1 -0.06694490 0.99840767 0.86182853 1
C C10 1 0.43318040 0.10305520 0.58153197 1
C C11 1 0.93181562 0.81291394 0.98646761 1
C C12 1 0.93302134 0.24614286 0.96124557 1
C C13 1 0.43188719 0.67642132 0.94722506 1
C C14 1 0.93342594 0.84726498 0.35945110 1
C C15 1 0.93317971 0.24657994 0.59478598 1
C C16 1 0.43374051 0.25601135 0.30359378 1
C C17 1 0.43372330 0.69130157 0.62445300 1
| -154.174281 |
2,257 | C-90843-1323-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52730000
_cell_length_b 4.29488000
_cell_length_c 4.71090000
_cell_angle_alpha 68.43599000
_cell_angle_beta 78.34490000
_cell_angle_gamma 85.12544000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.57146975
_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 0.09470485 0.88314158 0.72980185 1
C C1 1 -0.18657032 0.12124438 0.19776200 1
C C2 1 0.47082601 0.58606479 0.39835423 1
C C3 1 0.56100719 0.66725639 0.84998984 1
C C4 1 0.61889519 0.47445164 0.17186175 1
C C5 1 0.27649548 -0.06061728 0.37098006 1
C C6 1 0.52628328 0.39374483 0.72065292 1
C C7 1 0.99294573 0.17813097 0.83978055 1
| -154.070801 |
6,446 | C-126179-5885-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42855000
_cell_length_b 5.44139000
_cell_length_c 5.36503000
_cell_angle_alpha 73.28965000
_cell_angle_beta 90.15667000
_cell_angle_gamma 103.69794000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 65.80900559
_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 0.62201054 0.27791921 0.51751588 1
C C1 1 0.34843083 0.75621662 0.83848316 1
C C2 1 0.33356959 0.72808970 0.10989315 1
C C3 1 0.59365360 0.21666162 0.05346742 1
C C4 1 0.11730151 0.26103030 -0.08143124 1
C C5 1 0.83834142 0.73551232 0.24062564 1
C C6 1 0.87113355 0.79838483 0.70463240 1
C C7 1 0.93369801 0.91525681 0.41752444 1
C C8 1 0.12671441 0.28595885 0.64793824 1
C C9 1 0.53001103 0.09767884 0.34136461 1
| -154.185923 |
2,668 | C-107742-8736-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49012000
_cell_length_b 6.56779000
_cell_length_c 4.28169000
_cell_angle_alpha 81.74650000
_cell_angle_beta 87.77918000
_cell_angle_gamma 79.15492000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.05728872
_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 0.28483826 0.27740574 0.47022552 1
C C1 1 0.64727075 0.83808034 0.30337335 1
C C2 1 0.75898154 0.62293933 0.48354149 1
C C3 1 0.71821643 0.84527882 0.93642564 1
C C4 1 0.16783601 0.97929360 -0.08393730 1
C C5 1 -0.17352319 0.19666845 0.31898183 1
C C6 1 1.06803292 -0.02799569 0.28170110 1
C C7 1 0.29877673 0.51445058 0.37051608 1
C C8 1 0.38207611 0.52024891 1.00069493 1
C C9 1 0.63627792 0.29062016 0.97344122 1
C C10 1 0.18229391 0.21081886 0.81428922 1
C C11 1 0.81885951 0.62998989 0.84405752 1
| -154.082504 |
9,932 | C-96696-5300-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27669000
_cell_length_b 3.26459000
_cell_length_c 4.23457000
_cell_angle_alpha 123.92130000
_cell_angle_beta 95.29294000
_cell_angle_gamma 99.10519000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.20198673
_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 0.63667405 0.12850958 0.18253883 1
C C1 1 0.26552123 0.92571363 0.56393712 1
C C2 1 0.99694971 0.48953833 0.18253263 1
C C3 1 0.84894044 0.67827159 -0.05492982 1
C C4 1 0.21067352 0.03950860 0.94551611 1
C C5 1 0.58287675 0.24175167 0.56372623 1
| -154.198132 |
2,937 | C-184048-1268-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44307000
_cell_length_b 4.17845000
_cell_length_c 6.66845000
_cell_angle_alpha 82.63229000
_cell_angle_beta 90.14318000
_cell_angle_gamma 90.01587000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 67.51092605
_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 0.26294455 0.97381983 0.56356066 1
C C1 1 0.76591652 0.77244574 0.87890966 1
C C2 1 0.75216271 0.95443632 0.24468324 1
C C3 1 0.76357351 0.06643382 0.00774588 1
C C4 1 0.74420441 0.59952637 0.29710800 1
C C5 1 0.76451639 -0.08053461 0.66135988 1
C C6 1 0.26437895 0.25701163 0.95650098 1
C C7 1 0.25246617 0.08390230 0.34068380 1
C C8 1 0.26616306 0.57581620 -0.08962443 1
C C9 1 0.24315182 0.44058949 0.31313424 1
| -154.238846 |
9,804 | C-102875-8418-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45555000
_cell_length_b 4.41717000
_cell_length_c 7.00901000
_cell_angle_alpha 63.73936000
_cell_angle_beta 89.84478000
_cell_angle_gamma 105.87062000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 64.90076525
_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 0.35647286 0.90251528 0.12602673 1
C C1 1 0.85380069 0.89906971 0.70431942 1
C C2 1 0.69762516 0.58251137 0.45441327 1
C C3 1 0.30133754 0.79357566 0.66268142 1
C C4 1 0.16823074 0.52563473 0.58062524 1
C C5 1 0.45639046 0.10766145 0.91305498 1
C C6 1 0.79706075 0.78392708 0.24080073 1
C C7 1 -0.01432400 0.16616822 0.78687191 1
| -154.154175 |
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