Unnamed: 0
int64 2
10.1k
| material_id
stringlengths 12
16
| cif
stringlengths 939
1.86k
| energy_per_atom
float64 -154.56
-154.07
|
|---|---|---|---|
8,558 | C-72734-9855-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.29862000
_cell_length_b 3.30535000
_cell_length_c 5.64346000
_cell_angle_alpha 90.00455000
_cell_angle_beta 90.05256000
_cell_angle_gamma 81.60395000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 60.87168060
_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 0.27339167 0.50955849 0.48462050 1
C C1 1 0.27335736 0.51022721 0.75628292 1
C C2 1 0.35646121 0.87931475 0.35148201 1
C C3 1 0.84651914 0.41132680 0.12056944 1
C C4 1 0.62882888 0.15382076 0.75635442 1
C C5 1 0.99918523 0.23710839 0.88911449 1
C C6 1 0.62894533 0.15323176 0.48477199 1
C C7 1 -0.00097825 0.23624476 0.35153858 1
C C8 1 0.35664987 0.88014602 0.88915530 1
C C9 1 0.53220637 0.72647485 0.12060595 1
| -154.121483 |
6,978 | C-141057-8821-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42636000
_cell_length_b 5.39599000
_cell_length_c 8.48057000
_cell_angle_alpha 114.82739000
_cell_angle_beta 89.97987000
_cell_angle_gamma 90.01765000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 100.77082098
_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 0.96475703 0.49764346 0.20655702 1
C C1 1 0.96466121 0.97881870 0.44561917 1
C C2 1 0.46457323 0.59818351 0.46929448 1
C C3 1 0.46458646 0.79512681 0.09802822 1
C C4 1 0.46470130 0.26776756 0.94078037 1
C C5 1 0.46473369 1.09862840 0.44039329 1
C C6 1 0.46465275 0.75285677 0.66127939 1
C C7 1 -0.03531469 0.13731850 0.87711289 1
C C8 1 0.46457250 0.29151786 0.36031653 1
C C9 1 0.96464826 0.86924315 0.73800339 1
C C10 1 -0.03534639 0.68877488 0.40345257 1
C C11 1 0.46483024 0.51925234 0.10747711 1
C C12 1 -0.03537321 0.23740092 0.24116487 1
C C13 1 -0.03538248 0.93533015 0.11958010 1
| -154.168654 |
231 | C-193911-8410-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47833000
_cell_length_b 2.47761000
_cell_length_c 6.31100000
_cell_angle_alpha 78.68142000
_cell_angle_beta 89.99028000
_cell_angle_gamma 59.97197000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.67777758
_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 0.27164726 0.24015842 0.45554062 1
C C1 1 0.04528683 0.68791737 0.78645421 1
C C2 1 0.18937054 0.40666352 1.20439678 1
C C3 1 0.96477632 0.85176860 0.53918199 1
C C4 1 0.82715563 0.12973205 0.12029913 1
C C5 1 0.73988472 0.29903743 0.86938926 1
| -154.526818 |
8,655 | C-107756-3646-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68635000
_cell_length_b 4.62271000
_cell_length_c 6.53721000
_cell_angle_alpha 48.84414000
_cell_angle_beta 56.19943000
_cell_angle_gamma 69.52229000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 69.67531040
_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 0.58302500 0.85121843 0.39549071 1
C C1 1 1.02920340 0.75856372 0.37389163 1
C C2 1 0.15494375 0.21657306 0.85944209 1
C C3 1 0.76469372 0.70179849 0.05088900 1
C C4 1 0.28040358 0.18298942 1.06409400 1
C C5 1 0.88437705 0.87396758 0.72494024 1
C C6 1 0.14493880 0.62551155 0.61101789 1
C C7 1 0.18798516 0.54235038 0.05571727 1
C C8 1 0.32239954 1.09966193 0.50930410 1
C C9 1 0.31258452 0.50853431 0.26082439 1
C C10 1 0.70293382 0.02317960 0.06952578 1
C C11 1 0.43813606 -0.03345957 0.74643769 1
| -154.196842 |
6,279 | C-96715-726-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48690000
_cell_length_b 4.49767000
_cell_length_c 7.52151000
_cell_angle_alpha 75.21726000
_cell_angle_beta 89.99594000
_cell_angle_gamma 106.04867000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 77.94905360
_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 0.24677764 0.59240336 0.11047839 1
C C1 1 0.63239982 0.36846944 0.39660651 1
C C2 1 0.76912819 0.63348129 0.84258777 1
C C3 1 0.07799886 0.25371330 0.06809387 1
C C4 1 0.85300693 0.80342275 0.64128122 1
C C5 1 0.02282456 0.14204507 0.68345096 1
C C6 1 0.94267203 -0.01652597 0.24503794 1
C C7 1 0.77041403 0.63909574 0.21447083 1
C C8 1 0.32781364 0.75578448 0.53722892 1
C C9 1 0.15335697 0.41047630 0.50662596 1
C C10 1 0.50561119 0.10710907 0.80641184 1
C C11 1 0.59684228 0.28893626 0.94526397 1
C C12 1 0.33323809 0.76318976 0.90917470 1
C C13 1 0.46223357 0.02493537 0.35510722 1
| -154.405926 |
8,590 | C-76032-8953-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31678000
_cell_length_b 4.68261000
_cell_length_c 3.33415000
_cell_angle_alpha 69.13945000
_cell_angle_beta 89.97569000
_cell_angle_gamma 89.84472000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.38871986
_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 0.78761239 0.69645754 0.06614696 1
C C1 1 0.01531785 0.18012386 0.44613113 1
C C2 1 0.30653693 0.02640304 0.22622172 1
C C3 1 0.43480499 0.68338360 0.39781970 1
C C4 1 0.68737611 0.19915836 0.08431800 1
C C5 1 0.95510971 1.01339185 0.90794279 1
C C6 1 0.05410389 0.51075272 0.42812649 1
C C7 1 0.72686462 0.52975093 0.77079211 1
| -154.144739 |
5,120 | C-184031-5230-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45903000
_cell_length_b 3.40017000
_cell_length_c 5.95804000
_cell_angle_alpha 117.38052000
_cell_angle_beta 78.07479000
_cell_angle_gamma 111.22058000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.18710654
_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 0.06583187 0.91728662 0.29432591 1
C C1 1 0.89477723 0.38219635 0.10049892 1
C C2 1 0.49520081 0.45464990 0.97326422 1
C C3 1 0.52964438 0.24179145 0.69708215 1
C C4 1 1.03938106 0.13457104 0.57044448 1
C C5 1 0.66526834 -0.01176426 0.16673642 1
| -154.14806 |
4,704 | C-92122-3410-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34573000
_cell_length_b 3.77165000
_cell_length_c 6.29727000
_cell_angle_alpha 81.37276000
_cell_angle_beta 127.95896000
_cell_angle_gamma 106.74581000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 59.95810161
_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 0.57788284 0.32118925 0.89450943 1
C C1 1 0.49466106 0.42822052 0.63688756 1
C C2 1 0.24307659 0.93366779 0.88728634 1
C C3 1 0.62154560 0.66665421 1.01367097 1
C C4 1 1.02095907 0.25507586 0.37564025 1
C C5 1 0.68629966 0.86788534 0.36836726 1
C C6 1 0.14870847 0.91923388 0.10798360 1
C C7 1 -0.23007239 0.76022974 0.62607294 1
C C8 1 0.11527985 0.27004291 0.15527730 1
C C9 1 0.64246754 0.52252918 0.24916175 1
| -154.164542 |
116 | C-170384-6522-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46220000
_cell_length_b 4.94058000
_cell_length_c 4.61851000
_cell_angle_alpha 91.85829000
_cell_angle_beta 99.61649000
_cell_angle_gamma 92.58971000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 55.29112043
_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 1.13510380 0.38568495 0.32615619 1
C C1 1 0.83561681 0.77274790 0.51090917 1
C C2 1 0.31847036 0.60223254 0.56864419 1
C C3 1 0.41201894 0.45854606 0.86373175 1
C C4 1 0.79200353 0.06199829 0.63569643 1
C C5 1 0.97295951 0.53703020 0.04169686 1
C C6 1 0.44748174 0.99661373 0.10821379 1
C C7 1 0.62808213 0.21427392 0.35072130 1
C C8 1 -0.06869029 0.82592040 0.16721361 1
C C9 1 0.35390958 0.14075170 0.81318642 1
| -154.26673 |
3,639 | C-72705-6142-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.60791000
_cell_length_b 3.64871000
_cell_length_c 5.46998000
_cell_angle_alpha 109.13540000
_cell_angle_beta 62.08186000
_cell_angle_gamma 89.27684000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.58195687
_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 0.37888592 0.75570488 0.97966490 1
C C1 1 0.68577356 0.71670284 0.67162237 1
C C2 1 0.37905559 0.37091471 0.97949566 1
C C3 1 0.18861380 1.15871720 0.17013947 1
C C4 1 0.87707972 0.31375649 0.48084204 1
C C5 1 0.68603391 0.10129668 0.67150856 1
| -154.098224 |
8,433 | C-170372-5246-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48493000
_cell_length_b 5.80069000
_cell_length_c 4.59826000
_cell_angle_alpha 62.42989000
_cell_angle_beta 74.30804000
_cell_angle_gamma 77.61608000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.25406016
_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 0.12261429 1.01915103 0.75265965 1
C C1 1 0.61389206 0.44293300 0.34683070 1
C C2 1 0.70443923 0.87165396 0.73572967 1
C C3 1 0.35637130 0.20391843 1.10331151 1
C C4 1 0.72688837 0.58649941 -0.02782110 1
C C5 1 0.16280100 0.26859557 0.42273141 1
C C6 1 0.32865237 0.48879063 0.86751487 1
C C7 1 0.93854122 0.05587581 0.08708759 1
C C8 1 0.89511441 0.80732366 0.41742156 1
C C9 1 0.44544134 0.63290260 0.49254574 1
| -154.385734 |
5,160 | C-53799-3713-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48909000
_cell_length_b 4.17266000
_cell_length_c 8.25175000
_cell_angle_alpha 77.41501000
_cell_angle_beta 84.72204000
_cell_angle_gamma 103.45338000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 80.42503807
_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 0.77754666 1.01557570 0.93031662 1
C C1 1 0.56007350 0.51118639 0.77159403 1
C C2 1 0.59155150 0.63249930 0.93071832 1
C C3 1 0.74573404 0.79047627 0.61314207 1
C C4 1 1.03746492 0.57735432 1.04016981 1
C C5 1 0.93381161 0.17318565 0.61276183 1
C C6 1 0.25635946 0.73368530 0.34108141 1
C C7 1 0.22218998 0.96246918 0.03978401 1
C C8 1 0.82510057 0.30483217 0.20244847 1
C C9 1 0.30056790 -0.15646824 0.50361991 1
C C10 1 0.70128757 0.50218626 0.34100258 1
C C11 1 0.27148161 0.07261614 0.20219683 1
C C12 1 -0.03899619 0.29516116 0.77125195 1
C C13 1 0.48737387 0.22829049 0.50331157 1
| -154.091593 |
633 | C-184064-8186-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43068000
_cell_length_b 4.39441000
_cell_length_c 5.77921000
_cell_angle_alpha 133.08904000
_cell_angle_beta 95.66514000
_cell_angle_gamma 78.28486000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.07287639
_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 0.96733320 0.61192112 0.86293954 1
C C1 1 0.85653451 0.05590588 0.08481948 1
C C2 1 0.63399924 -0.05487162 0.52949749 1
C C3 1 0.18988892 0.72246452 0.41812962 1
C C4 1 0.30067106 0.27855670 0.19627023 1
C C5 1 0.52323947 0.38914580 0.75144544 1
| -154.46635 |
1,369 | C-136221-5891-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44823000
_cell_length_b 4.50875000
_cell_length_c 3.97831000
_cell_angle_alpha 93.83574000
_cell_angle_beta 90.09931000
_cell_angle_gamma 105.85513000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.13991566
_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 0.49992776 0.80807053 0.53905579 1
C C1 1 0.97085746 0.75017357 0.72428619 1
C C2 1 0.65352770 0.11702141 0.40433340 1
C C3 1 0.21944541 0.24969362 0.33259584 1
C C4 1 0.37596215 0.56003907 0.20036016 1
C C5 1 0.90454292 0.61824100 0.01611491 1
| -154.255211 |
3,220 | C-194771-8449-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44597000
_cell_length_b 6.53399000
_cell_length_c 8.04875000
_cell_angle_alpha 76.85362000
_cell_angle_beta 81.24899000
_cell_angle_gamma 68.14613000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 115.93705392
_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 0.71241714 0.17505075 0.83801490 1
C C1 1 0.69087448 0.40459834 0.40585061 1
C C2 1 0.79888906 0.48402737 0.03680132 1
C C3 1 -0.15319761 0.53380296 0.84522113 1
C C4 1 0.15457178 0.49149288 0.30571265 1
C C5 1 0.60283928 0.80371730 0.79881086 1
C C6 1 0.32162592 0.85065727 0.26088720 1
C C7 1 0.63896809 0.85171611 0.61431848 1
C C8 1 1.46159092 0.07187305 0.51791043 1
C C9 1 0.76898244 0.03507029 1.01061224 1
C C10 1 0.49238407 0.52296731 0.56721444 1
C C11 1 0.88718397 0.17025095 0.47156004 1
C C12 1 -0.04444326 0.92611398 0.84969254 1
C C13 1 -0.10621098 0.74085670 0.33320432 1
C C14 1 0.86783983 0.66993148 0.52515973 1
C C15 1 0.48909522 0.42882464 0.76781745 1
C C16 1 0.26302831 0.47731348 0.12233374 1
C C17 1 0.26848142 -0.01421626 0.10858291 1
| -154.073968 |
7,829 | C-141068-2442-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48777000
_cell_length_b 2.48734000
_cell_length_c 6.09214000
_cell_angle_alpha 90.01498000
_cell_angle_beta 89.99329000
_cell_angle_gamma 120.03965000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.63414325
_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 0.51456657 0.26460149 0.04474918 1
C C1 1 0.18089390 0.59740110 0.37809743 1
C C2 1 0.84816038 -0.06881707 0.71138090 1
C C3 1 0.18151576 0.59780955 0.62784834 1
C C4 1 0.51427298 0.26410200 0.29456124 1
C C5 1 0.84801491 0.93131803 -0.03881049 1
| -154.542647 |
6,807 | C-73635-4417-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.98019000
_cell_length_b 4.75747000
_cell_length_c 4.84971000
_cell_angle_alpha 108.05781000
_cell_angle_beta 109.36917000
_cell_angle_gamma 106.06918000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 55.87743122
_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 1.01287238 0.14758552 0.70975242 1
C C1 1 0.86181505 0.63382111 0.72612104 1
C C2 1 0.48973291 0.47330833 0.38615867 1
C C3 1 0.11718483 0.13811728 0.22319804 1
C C4 1 0.99083335 0.97486665 0.88728813 1
C C5 1 0.14087133 0.48831375 0.87052110 1
C C6 1 0.51229840 0.64910453 0.21093778 1
C C7 1 -0.11410264 0.98398573 0.37358351 1
| -154.11992 |
6,208 | C-34604-6888-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69995000
_cell_length_b 4.20662000
_cell_length_c 4.28042000
_cell_angle_alpha 60.39865000
_cell_angle_beta 82.99209000
_cell_angle_gamma 68.19080000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 53.62406851
_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 0.79328215 0.56878239 0.78320116 1
C C1 1 0.84159964 0.90399390 0.10856243 1
C C2 1 0.87922134 0.53714573 0.44646060 1
C C3 1 -0.02311136 0.83745890 0.78552752 1
C C4 1 0.93556815 0.20536649 0.44733064 1
C C5 1 0.02595075 1.17212681 0.11121655 1
C C6 1 0.42419768 0.18244127 0.03072155 1
C C7 1 0.39442486 0.55918832 0.86395784 1
| -154.084778 |
440 | C-149227-3674-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.41659000
_cell_length_b 7.71592000
_cell_length_c 7.71457000
_cell_angle_alpha 82.00150000
_cell_angle_beta 98.74122000
_cell_angle_gamma 108.71745000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 134.02828969
_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 0.39391343 0.41299421 0.64331319 1
C C1 1 1.19812306 0.62616286 0.80851471 1
C C2 1 0.14766636 0.80982429 0.38308314 1
C C3 1 0.59120941 0.06514146 0.76203901 1
C C4 1 1.13116420 0.06087009 0.85298927 1
C C5 1 -0.02379682 0.18420172 0.29205981 1
C C6 1 -0.25273347 0.88548069 0.42934324 1
C C7 1 0.96335365 0.07890096 0.47166976 1
C C8 1 0.24435935 0.08628811 0.03518893 1
C C9 1 -0.22812165 0.47696611 0.27649937 1
C C10 1 0.90960867 0.71362521 0.06298670 1
C C11 1 0.35067408 0.69885203 0.97239320 1
C C12 1 0.17460735 0.38150821 0.27696905 1
C C13 1 0.95881448 0.67516990 0.25518496 1
C C14 1 0.60299158 0.56564814 0.74143676 1
C C15 1 0.56469859 0.13040810 0.57125301 1
C C16 1 0.81144758 1.11038965 0.12177512 1
C C17 1 0.78980845 0.32791567 0.60888048 1
| -154.098614 |
5,142 | C-148219-4273-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48487000
_cell_length_b 4.67969000
_cell_length_c 4.08680000
_cell_angle_alpha 83.32056000
_cell_angle_beta 89.97667000
_cell_angle_gamma 74.55943000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.47368114
_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 1.13119090 0.46200558 0.04352668 1
C C1 1 0.18953523 0.34740145 0.39938725 1
C C2 1 -0.02670396 0.77596519 0.86431309 1
C C3 1 0.36138437 1.00615524 0.33134611 1
C C4 1 0.47397715 0.77428218 0.63741001 1
C C5 1 0.64531396 0.43352611 0.56962950 1
C C6 1 0.70417128 0.31732457 0.92512108 1
C C7 1 0.86256447 0.00343118 0.10629188 1
| -154.369488 |
4,221 | C-13911-8164-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48782000
_cell_length_b 4.30385000
_cell_length_c 5.56094000
_cell_angle_alpha 104.98073000
_cell_angle_beta 102.92763000
_cell_angle_gamma 73.21593000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 54.34807260
_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 0.21449036 0.56687712 0.62829540 1
C C1 1 0.81399021 0.51696914 0.77820016 1
C C2 1 0.41609387 0.96701133 0.42812263 1
C C3 1 0.41502397 0.71677265 0.17769049 1
C C4 1 0.61676423 0.36683689 0.22896089 1
C C5 1 0.81413102 0.76688514 0.02764971 1
C C6 1 0.61744213 0.11674640 -0.02125860 1
C C7 1 0.21571524 0.31702299 0.37891252 1
C C8 1 1.01706736 0.91671589 0.57813912 1
C C9 1 0.01761892 0.16697325 0.82882599 1
| -154.547311 |
1,246 | C-141049-5998-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47583000
_cell_length_b 4.13086000
_cell_length_c 6.06542000
_cell_angle_alpha 101.53630000
_cell_angle_beta 89.98489000
_cell_angle_gamma 90.01724000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 60.77973239
_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 0.13068002 0.82061876 0.86251813 1
C C1 1 0.63157988 0.94760217 0.59100661 1
C C2 1 0.13201971 0.79383080 0.25442318 1
C C3 1 0.63192840 0.32688285 0.28820405 1
C C4 1 0.63199292 0.99073539 0.33650035 1
C C5 1 0.63138929 0.36899407 0.02680274 1
C C6 1 1.13183986 0.51063205 0.38103954 1
C C7 1 0.13134202 0.73820362 0.60282803 1
C C8 1 0.63105122 0.04023117 0.86585655 1
C C9 1 0.13135969 0.58477271 0.01943792 1
| -154.151923 |
969 | C-141043-2496-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47765000
_cell_length_b 3.82338000
_cell_length_c 4.49912000
_cell_angle_alpha 89.57298000
_cell_angle_beta 57.06160000
_cell_angle_gamma 89.14090000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.76516984
_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 0.45045843 1.06751686 0.89289614 1
C C1 1 0.71655198 0.65456208 0.12834189 1
C C2 1 0.44710682 0.36116308 0.39640005 1
C C3 1 0.44951387 0.65462806 0.89276768 1
C C4 1 0.71992966 0.36077502 0.62478831 1
C C5 1 0.71771494 0.06734000 0.12844843 1
| -154.147549 |
8,732 | C-40140-2962-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46241000
_cell_length_b 3.39405000
_cell_length_c 5.84268000
_cell_angle_alpha 77.46869000
_cell_angle_beta 65.04813000
_cell_angle_gamma 68.67125000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.12357897
_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 0.93338642 0.92377614 0.90755418 1
C C1 1 0.55779567 0.28059716 0.10415200 1
C C2 1 0.40100120 0.73522058 0.03391031 1
C C3 1 1.02838867 1.09009415 0.22990783 1
C C4 1 0.17761534 -0.01079105 0.63184630 1
C C5 1 0.78742530 1.02194423 0.50555668 1
| -154.161469 |
7,378 | C-130526-2423-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42929000
_cell_length_b 2.42946000
_cell_length_c 8.71076000
_cell_angle_alpha 105.32360000
_cell_angle_beta 74.92137000
_cell_angle_gamma 120.01415000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.42625248
_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 0.04997490 0.51611474 0.99679611 1
C C1 1 0.47591039 1.03266023 0.33217915 1
C C2 1 0.95447321 0.62400436 0.66347880 1
C C3 1 0.28776982 0.29049185 0.66337283 1
C C4 1 0.80978270 0.69877040 0.33140550 1
C C5 1 0.38336269 0.18291922 -0.00329189 1
| -154.445835 |
3,508 | C-40100-7984-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.62546000
_cell_length_b 4.17289000
_cell_length_c 6.43468000
_cell_angle_alpha 71.08377000
_cell_angle_beta 96.55924000
_cell_angle_gamma 110.53460000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 62.45207679
_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 0.70694702 0.87748710 0.03448103 1
C C1 1 0.61412693 0.56989332 0.23647317 1
C C2 1 -0.05459780 0.52802028 0.83213583 1
C C3 1 -0.14915721 0.21988011 0.03458608 1
C C4 1 0.75076612 0.07697589 0.63171912 1
C C5 1 -0.19016073 0.02075666 0.43751012 1
C C6 1 0.61297736 0.77167822 0.83200244 1
C C7 1 0.80792292 0.42304177 0.63170144 1
C C8 1 0.75204842 0.67450575 0.43744135 1
C C9 1 -0.05327704 0.32626810 0.23659022 1
| -154.16685 |
8,543 | C-73615-2489-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42733000
_cell_length_b 6.12180000
_cell_length_c 5.85691000
_cell_angle_alpha 80.05625000
_cell_angle_beta 87.62925000
_cell_angle_gamma 88.84712000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 85.64328008
_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 0.73903461 0.09775141 0.08147160 1
C C1 1 0.23822283 0.09775297 0.58146670 1
C C2 1 0.73830635 0.20893808 0.52440950 1
C C3 1 0.73907298 0.43109148 0.41479906 1
C C4 1 0.23913624 0.54227687 0.35772985 1
C C5 1 0.23948791 0.76442576 0.24811052 1
C C6 1 0.23820636 0.43108377 0.91480497 1
C C7 1 0.73941724 0.87559110 0.19106769 1
C C8 1 0.23778377 0.87558884 0.69104963 1
C C9 1 0.73803891 0.54227500 0.85773000 1
C C10 1 0.73781556 0.76442531 0.74810818 1
C C11 1 0.23887055 0.20893401 1.02442659 1
| -154.450153 |
4,735 | C-92134-5968-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48316000
_cell_length_b 3.84494000
_cell_length_c 3.74663000
_cell_angle_alpha 89.98645000
_cell_angle_beta 90.00345000
_cell_angle_gamma 89.99172000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.77132768
_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 0.16993426 0.08523215 0.79172840 1
C C1 1 0.66995315 0.08506610 0.02758927 1
C C2 1 0.16984981 0.67508490 0.79159240 1
C C3 1 0.66984140 0.37992358 0.29527378 1
C C4 1 0.16984347 0.38000113 0.52402679 1
C C5 1 0.66986011 0.67497703 1.02747337 1
| -154.162461 |
215 | C-193960-2739-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05378000
_cell_length_b 2.43057000
_cell_length_c 6.41418000
_cell_angle_alpha 79.12947000
_cell_angle_beta 105.91088000
_cell_angle_gamma 111.91408000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.27758028
_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 0.73764977 -0.08699260 0.10900289 1
C C1 1 0.73789615 0.57984835 0.77561795 1
C C2 1 0.74142289 0.47043664 -0.00196847 1
C C3 1 0.74480406 1.13821747 0.66549490 1
C C4 1 0.74159164 0.24776614 0.44308479 1
C C5 1 0.74474489 0.80494980 0.33179355 1
| -154.425108 |
5,614 | C-80144-1745-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47906000
_cell_length_b 4.95403000
_cell_length_c 6.77903000
_cell_angle_alpha 68.54405000
_cell_angle_beta 68.57835000
_cell_angle_gamma 59.94794000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 65.33451110
_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 0.56724264 0.67202195 0.99315188 1
C C1 1 0.73560332 0.75498669 0.74229825 1
C C2 1 0.84526704 0.81029101 0.07715186 1
C C3 1 0.12513572 0.44909433 0.65883735 1
C C4 1 1.12513572 0.94909433 0.65883735 1
C C5 1 0.67841446 0.72581091 0.32806876 1
C C6 1 0.84526704 0.31029101 1.07715186 1
C C7 1 0.28962912 1.03119400 0.41153900 1
C C8 1 -0.43275736 0.17202195 0.99315188 1
C C9 1 0.73560332 0.25498669 0.74229825 1
C C10 1 0.67841446 0.22581091 0.32806876 1
C C11 1 0.28962912 0.53119400 0.41153900 1
| -154.532213 |
4,797 | C-134193-3339-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24237000
_cell_length_b 3.37782000
_cell_length_c 5.19333000
_cell_angle_alpha 85.05671000
_cell_angle_beta 69.39101000
_cell_angle_gamma 76.39263000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.70195030
_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 0.51223024 0.32330144 0.19208914 1
C C1 1 0.12766407 0.49569265 0.65781962 1
C C2 1 0.24395239 0.15134922 0.43888775 1
C C3 1 0.80521837 0.86886898 0.74374553 1
C C4 1 0.90373908 0.08972461 0.44298876 1
C C5 1 0.68841743 0.49891761 0.35841441 1
C C6 1 0.93232093 0.77773288 0.22143427 1
C C7 1 0.83783653 0.06187005 0.00474080 1
C C8 1 0.17104265 0.25185614 0.89961984 1
C C9 1 0.39003863 0.74853308 0.56533726 1
C C10 1 0.28139632 0.55150568 1.04789384 1
C C11 1 0.43569977 0.84800378 0.82143339 1
| -154.194818 |
59 | C-141047-6434-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46653000
_cell_length_b 5.14685000
_cell_length_c 7.84100000
_cell_angle_alpha 126.14597000
_cell_angle_beta 80.51197000
_cell_angle_gamma 94.50660000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 79.25919700
_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 0.08451849 0.49076284 0.44417968 1
C C1 1 0.53802788 -0.01028923 0.32679840 1
C C2 1 0.22328971 0.84818397 0.63511963 1
C C3 1 0.32176556 0.46758342 0.70258594 1
C C4 1 0.52571410 0.34755635 0.47074571 1
C C5 1 -0.21621073 -0.00914601 0.60811182 1
C C6 1 0.08609239 0.50273889 0.25340261 1
C C7 1 0.77157500 0.34838097 0.75202545 1
C C8 1 0.98511938 0.87064293 0.37644882 1
C C9 1 0.66488561 0.98086222 0.97153968 1
C C10 1 -0.35990267 0.35790117 0.10771312 1
C C11 1 0.69533953 0.50105322 0.98208580 1
C C12 1 0.21943348 0.83586352 0.82566986 1
C C13 1 0.61783036 0.83794214 1.09668867 1
| -154.193212 |
898 | C-157724-4895-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48308000
_cell_length_b 3.84247000
_cell_length_c 3.74851000
_cell_angle_alpha 90.04585000
_cell_angle_beta 89.99319000
_cell_angle_gamma 89.98686000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.76512255
_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 0.60626779 0.80394508 0.41083717 1
C C1 1 1.10643773 0.50991515 0.91412490 1
C C2 1 0.10659500 0.21507615 0.64599331 1
C C3 1 0.10625893 0.80433365 0.64639446 1
C C4 1 0.60659762 0.21471041 0.41038525 1
C C5 1 0.60646023 0.50957166 0.14267842 1
| -154.163825 |
5,177 | C-96678-2884-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46841000
_cell_length_b 3.37851000
_cell_length_c 5.22052000
_cell_angle_alpha 88.96847000
_cell_angle_beta 90.04358000
_cell_angle_gamma 111.42697000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.52032777
_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 0.25664716 0.10209112 0.05009695 1
C C1 1 0.65198847 0.89787081 0.37700139 1
C C2 1 0.69262930 0.97489715 0.65166306 1
C C3 1 0.21740613 0.02537657 0.77550346 1
C C4 1 0.84472654 0.27840306 0.17455365 1
C C5 1 1.06377060 0.72149350 0.25249680 1
| -154.157101 |
6,236 | C-189692-2339-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.44464000
_cell_length_b 4.80658000
_cell_length_c 4.41179000
_cell_angle_alpha 95.95027000
_cell_angle_beta 88.39699000
_cell_angle_gamma 97.74177000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 71.98270023
_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 0.31296064 0.41495112 0.11740943 1
C C1 1 0.06985155 0.91705521 0.37923952 1
C C2 1 0.68771796 0.06858275 0.75597047 1
C C3 1 0.30427763 -0.08584681 0.12978532 1
C C4 1 0.05543014 0.41543005 0.38799442 1
C C5 1 0.43961745 0.66763797 -0.00609579 1
C C6 1 0.93100293 0.16320713 0.51295885 1
C C7 1 0.93078823 0.67184702 0.51469793 1
C C8 1 0.43974789 0.15891402 -0.00762678 1
C C9 1 0.68817988 0.76335693 0.75417783 1
| -154.184497 |
3,420 | C-41273-2006-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42977000
_cell_length_b 2.42998000
_cell_length_c 8.45365000
_cell_angle_alpha 87.36141000
_cell_angle_beta 82.80457000
_cell_angle_gamma 59.99160000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.87371331
_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 0.79507505 0.96668841 0.56067980 1
C C1 1 0.43976240 0.95820712 0.21900554 1
C C2 1 0.27436554 0.69140160 -0.11233793 1
C C3 1 0.77366977 0.29108232 0.21865958 1
C C4 1 -0.05867715 0.35748111 0.88752946 1
C C5 1 0.12846949 0.29942994 0.56100126 1
| -154.454429 |
6,438 | C-177244-4718-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43134000
_cell_length_b 4.20103000
_cell_length_c 6.08271000
_cell_angle_alpha 105.60787000
_cell_angle_beta 107.06170000
_cell_angle_gamma 89.86486000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.00686375
_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 0.94424116 0.63335311 0.32765789 1
C C1 1 0.53116494 0.09700731 0.82722483 1
C C2 1 1.03071784 0.26386081 0.82646426 1
C C3 1 -0.05622141 0.30020142 0.32689029 1
C C4 1 0.53073640 0.76386854 0.82647554 1
C C5 1 0.44379407 0.80020661 0.32689733 1
C C6 1 0.03118041 0.59701250 0.82723187 1
C C7 1 0.44422260 0.13334539 0.32764662 1
| -154.43712 |
68 | C-126147-4024-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.17945000
_cell_length_b 3.64343000
_cell_length_c 4.81518000
_cell_angle_alpha 112.19602000
_cell_angle_beta 117.01008000
_cell_angle_gamma 95.11819000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.65317535
_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 0.87733910 0.10401480 -0.04274301 1
C C1 1 -0.11911576 0.48484571 -0.04178468 1
C C2 1 -0.12140469 0.45089709 0.65080480 1
C C3 1 0.87639546 1.04399685 0.45721852 1
C C4 1 0.88227941 0.89159780 0.15146234 1
C C5 1 0.88106199 0.83124765 0.65115663 1
| -154.131313 |
9,927 | C-170331-6356-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46203000
_cell_length_b 3.39269000
_cell_length_c 5.84401000
_cell_angle_alpha 102.55505000
_cell_angle_beta 114.98915000
_cell_angle_gamma 68.63008000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.08632240
_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 0.79392531 0.99060404 0.60691257 1
C C1 1 0.17966931 0.27868374 0.13519954 1
C C2 1 1.02263851 0.73348210 0.20547688 1
C C3 1 0.64753924 0.08917275 0.00883467 1
C C4 1 0.40438378 1.02246715 0.73327596 1
C C5 1 0.55283365 -0.07699579 0.33140687 1
| -154.158445 |
7,014 | C-170329-7952-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48143000
_cell_length_b 4.21840000
_cell_length_c 3.68964000
_cell_angle_alpha 75.18376000
_cell_angle_beta 109.64706000
_cell_angle_gamma 90.03367000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00902684
_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 0.63737000 0.26644222 0.62604816 1
C C1 1 0.83827208 0.34195376 0.02389511 1
C C2 1 0.41666764 0.47273483 0.18103256 1
C C3 1 0.15609200 0.04442194 0.66438788 1
C C4 1 -0.04129768 -0.03090746 0.26644095 1
C C5 1 0.38043476 0.83800611 0.10999564 1
| -154.311253 |
4,990 | C-113048-91-55 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51015000
_cell_length_b 4.93252000
_cell_length_c 4.80558000
_cell_angle_alpha 67.62585000
_cell_angle_beta 90.03395000
_cell_angle_gamma 59.46191000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.96117967
_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 0.06436531 0.51831420 0.46737643 1
C C1 1 0.40338768 0.17822693 0.14697483 1
C C2 1 0.66175893 0.42081395 0.66315371 1
C C3 1 0.02735670 0.05330217 0.66366203 1
C C4 1 0.68822888 0.39347808 -0.01639852 1
C C5 1 0.32163732 0.75995680 -0.01629701 1
C C6 1 0.77037672 0.81158581 0.14707534 1
C C7 1 0.42962834 0.15102506 0.46762249 1
| -154.242569 |
8,901 | C-73623-520-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78544000
_cell_length_b 3.32019000
_cell_length_c 3.91766000
_cell_angle_alpha 74.21373000
_cell_angle_beta 91.85517000
_cell_angle_gamma 84.00897000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.02764004
_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 0.96665889 -0.09173333 0.72491912 1
C C1 1 0.24437339 0.55996624 0.32325789 1
C C2 1 0.60761653 0.65700985 0.21796942 1
C C3 1 0.78887387 0.28222003 0.10933849 1
C C4 1 0.09872394 0.47816179 0.96440764 1
C C5 1 0.25462639 0.22850000 0.70675930 1
C C6 1 0.91123158 -0.14363564 0.37355193 1
C C7 1 0.61935481 1.04191575 0.88445951 1
| -154.08362 |
5,195 | C-102871-6259-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45427000
_cell_length_b 5.83951000
_cell_length_c 5.60283000
_cell_angle_alpha 92.10763000
_cell_angle_beta 89.90774000
_cell_angle_gamma 65.19701000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 72.82904377
_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 1.11879096 0.28518709 0.57231192 1
C C1 1 0.79463508 0.10766393 0.25013267 1
C C2 1 1.39754785 1.00230466 0.61354673 1
C C3 1 0.85670991 0.55500932 0.00325747 1
C C4 1 0.46472599 0.43971836 0.63046698 1
C C5 1 0.40720656 -0.01025684 0.87756002 1
C C6 1 0.87418595 0.02918645 0.99436971 1
C C7 1 0.38806248 0.51701376 0.88602672 1
C C8 1 0.27358992 0.63354771 0.40784050 1
C C9 1 -0.01240373 0.91374647 0.47246651 1
C C10 1 0.14127120 0.26148988 0.30963704 1
C C11 1 0.86358473 0.54442681 0.26759053 1
| -154.247973 |
3,661 | C-145333-1039-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47365000
_cell_length_b 3.28847000
_cell_length_c 6.91995000
_cell_angle_alpha 118.42053000
_cell_angle_beta 79.68680000
_cell_angle_gamma 112.13477000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.85765278
_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 0.70218886 0.02308716 0.27094844 1
C C1 1 -0.11774830 0.20365006 0.09085874 1
C C2 1 0.20196558 0.16176613 0.41006821 1
C C3 1 0.52197803 0.48178063 0.09070387 1
C C4 1 0.20221542 0.52284582 0.77092408 1
C C5 1 0.70199846 0.66168304 0.91008358 1
C C6 1 0.38224247 0.70344208 0.59078464 1
C C7 1 1.02196649 -0.01844473 0.59061314 1
| -154.332855 |
6,521 | C-72754-2980-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49130000
_cell_length_b 4.34918000
_cell_length_c 3.59508000
_cell_angle_alpha 84.30759000
_cell_angle_beta 110.31388000
_cell_angle_gamma 106.61785000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00465545
_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 0.86634170 0.58744707 0.21782630 1
C C1 1 0.42479591 -0.03618463 0.95911399 1
C C2 1 0.34323010 0.16938781 0.58822169 1
C C3 1 -0.05060050 0.38187480 0.58818511 1
C C4 1 0.23599053 0.58727815 0.95896789 1
C C5 1 0.05371495 0.96365131 0.21775293 1
| -154.195149 |
9,879 | C-53852-3564-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48653000
_cell_length_b 2.48655000
_cell_length_c 5.55882000
_cell_angle_alpha 102.92548000
_cell_angle_beta 77.06641000
_cell_angle_gamma 90.00556000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.60360614
_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 0.57660178 0.95242399 0.22421450 1
C C1 1 0.90984348 0.61909874 0.55760971 1
C C2 1 0.24313664 0.28574259 0.89093988 1
C C3 1 0.32646434 0.70231927 0.72418127 1
C C4 1 0.65992948 0.36900068 0.05745589 1
C C5 1 -0.00677736 0.03564452 0.39078606 1
| -154.544458 |
10,003 | C-76028-1827-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45604000
_cell_length_b 3.66502000
_cell_length_c 6.47394000
_cell_angle_alpha 99.45802000
_cell_angle_beta 100.92413000
_cell_angle_gamma 109.59851000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 52.24231003
_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 0.82013007 0.51839199 0.74155971 1
C C1 1 0.68261702 0.47773446 0.50537985 1
C C2 1 0.28413851 0.35822526 0.82876861 1
C C3 1 0.52441973 0.59055662 0.07627985 1
C C4 1 0.69861738 -0.01121306 0.02486509 1
C C5 1 -0.01327223 0.42935799 0.16306878 1
C C6 1 1.12517056 0.46938615 0.39927712 1
C C7 1 0.11171196 0.95976978 0.87970719 1
| -154.28653 |
1,405 | C-72716-3406-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.94679000
_cell_length_b 3.61925000
_cell_length_c 4.82217000
_cell_angle_alpha 68.06103000
_cell_angle_beta 68.71682000
_cell_angle_gamma 86.26178000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.30352849
_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 0.72353785 0.44265461 0.30671819 1
C C1 1 0.71824405 0.40751415 0.61612299 1
C C2 1 0.71889640 0.78908170 0.61595322 1
C C3 1 0.71471110 0.00217649 0.80816424 1
C C4 1 0.72811020 0.84798846 0.11425285 1
C C5 1 0.72347959 1.06141329 0.30641301 1
| -154.123305 |
2,062 | C-53812-2634-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52253000
_cell_length_b 4.67796000
_cell_length_c 7.44203000
_cell_angle_alpha 84.25868000
_cell_angle_beta 88.79938000
_cell_angle_gamma 74.39062000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 84.15337634
_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 0.56755089 0.66763964 0.84444208 1
C C1 1 0.28675779 0.19080409 0.97989602 1
C C2 1 1.03191211 1.00808896 0.40939923 1
C C3 1 1.04170620 0.71257476 0.12116096 1
C C4 1 0.94805907 0.99034599 0.60000374 1
C C5 1 0.10797946 0.27121768 0.31998495 1
C C6 1 0.76970151 0.27217051 0.67772835 1
C C7 1 0.73485391 0.30836459 0.87653643 1
C C8 1 1.04779258 0.76418619 0.31738058 1
C C9 1 0.04752080 0.71812505 0.72304823 1
C C10 1 0.16659796 0.36556425 0.13996747 1
C C11 1 1.10548567 0.50373498 0.42262156 1
C C12 1 0.47909547 0.83394401 0.01559917 1
C C13 1 0.17470487 0.45086900 0.61533722 1
| -154.147497 |
8,573 | C-13913-1160-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46160000
_cell_length_b 3.63348000
_cell_length_c 4.48876000
_cell_angle_alpha 73.61191000
_cell_angle_beta 95.34302000
_cell_angle_gamma 63.42818000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 33.30432215
_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 0.06575936 0.83993355 0.48863991 1
C C1 1 0.22666669 0.17883362 0.81099445 1
C C2 1 0.75855653 0.56657433 0.48856300 1
C C3 1 0.91966701 -0.09483463 0.81111144 1
C C4 1 0.19114392 0.42438556 0.04495573 1
C C5 1 -0.20388590 0.31940297 0.25554337 1
| -154.204148 |
9,277 | C-47650-9988-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43189000
_cell_length_b 4.85970000
_cell_length_c 6.70320000
_cell_angle_alpha 61.49622000
_cell_angle_beta 88.74035000
_cell_angle_gamma 59.81056000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.64389652
_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 0.38639058 0.86217748 0.37284913 1
C C1 1 0.38646828 0.36222308 0.37285195 1
C C2 1 0.62010896 0.69021932 0.87447772 1
C C3 1 0.95369321 0.35727986 0.87441551 1
C C4 1 0.72049742 0.02884802 0.37320424 1
C C5 1 -0.38013606 0.19026374 -0.12556655 1
C C6 1 -0.04614731 0.85730137 -0.12562238 1
C C7 1 0.72054632 0.52887812 0.37321688 1
| -154.456804 |
5,901 | C-189715-4459-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57190000
_cell_length_b 4.95117000
_cell_length_c 5.47899000
_cell_angle_alpha 77.10638000
_cell_angle_beta 93.07932000
_cell_angle_gamma 68.38672000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 86.81924592
_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 0.62949949 0.22438074 0.82920595 1
C C1 1 0.23520624 0.42548428 0.41618933 1
C C2 1 0.45460829 0.75689920 0.78785439 1
C C3 1 1.04386537 0.07064782 0.01397958 1
C C4 1 0.15171879 0.51511205 0.12568492 1
C C5 1 0.62605795 0.37004250 0.55900029 1
C C6 1 -0.06488037 0.73882661 0.42479656 1
C C7 1 0.47206870 0.97625606 -0.06722809 1
C C8 1 0.61087458 0.69032473 0.55271079 1
C C9 1 0.87811926 0.83165273 0.12947054 1
C C10 1 0.17405753 0.88980717 0.53198578 1
C C11 1 0.48784859 0.47227009 -0.02743630 1
C C12 1 0.90938477 0.32169892 0.14033675 1
C C13 1 -0.00830160 0.22531629 0.43415132 1
| -154.102817 |
171 | C-142771-2182-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48491000
_cell_length_b 4.08679000
_cell_length_c 4.67868000
_cell_angle_alpha 83.32954000
_cell_angle_beta 74.59270000
_cell_angle_gamma 89.99840000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.47219813
_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 0.97606392 0.52943619 0.20471338 1
C C1 1 0.09315350 0.28705688 0.97754379 1
C C2 1 0.76337881 0.99282032 0.63521309 1
C C3 1 0.59421666 0.06233371 0.97574436 1
C C4 1 0.24838583 0.46778190 0.66308202 1
C C5 1 0.47499635 0.75593283 0.20724741 1
C C6 1 0.81976451 0.34870712 0.51915848 1
C C7 1 0.30540532 0.82324836 0.54916177 1
| -154.367134 |
6,333 | C-13651-5621-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45395000
_cell_length_b 5.77156000
_cell_length_c 6.98487000
_cell_angle_alpha 91.37883000
_cell_angle_beta 121.94372000
_cell_angle_gamma 102.25389000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 80.91748591
_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 0.98197634 0.34504874 0.68024935 1
C C1 1 -0.08887127 0.22278677 0.34139399 1
C C2 1 1.09928876 0.15421356 0.82173356 1
C C3 1 1.08595934 0.53480804 0.01826114 1
C C4 1 0.32551421 0.40250361 0.55748928 1
C C5 1 0.29798689 0.77264800 0.08107833 1
C C6 1 -0.14147072 0.91491049 0.07429358 1
C C7 1 0.40541399 0.41301299 0.93876580 1
C C8 1 0.23928098 0.12861882 0.25796219 1
C C9 1 0.51331718 0.67688248 0.59100202 1
C C10 1 1.15640768 0.79073516 0.64830619 1
C C11 1 0.53901522 0.00984586 0.82978818 1
| -154.152605 |
7,479 | C-130528-4330-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90276000
_cell_length_b 5.05310000
_cell_length_c 7.70219000
_cell_angle_alpha 83.36793000
_cell_angle_beta 101.16142000
_cell_angle_gamma 68.87723000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 101.25081515
_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 0.60704508 0.16486055 0.60082942 1
C C1 1 0.80508405 0.24103114 0.88075216 1
C C2 1 0.40814613 0.80346193 0.05491941 1
C C3 1 0.92627051 0.28963592 0.05625372 1
C C4 1 0.29837165 0.01856740 0.15858412 1
C C5 1 0.97682411 0.89345613 0.70324751 1
C C6 1 0.01092099 0.48250920 0.32856350 1
C C7 1 0.13059377 0.65629784 0.61855907 1
C C8 1 0.38033584 0.21052598 0.42101531 1
C C9 1 0.89605809 0.70109900 0.43056501 1
C C10 1 0.49683705 0.37935346 0.70490848 1
C C11 1 0.77403336 0.52719215 0.14027947 1
C C12 1 0.09891090 0.94075830 0.87921869 1
C C13 1 0.52582328 0.97377600 0.33778382 1
| -154.286506 |
5,451 | C-72738-5062-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47343000
_cell_length_b 3.72089000
_cell_length_c 4.25182000
_cell_angle_alpha 64.00638000
_cell_angle_beta 89.94033000
_cell_angle_gamma 89.85890000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.17254375
_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 1.13083858 0.26806481 0.18406825 1
C C1 1 0.63087210 0.72312160 0.68341963 1
C C2 1 0.63083500 0.15774356 0.40519786 1
C C3 1 0.13094767 0.11172220 0.90564585 1
C C4 1 0.63084896 0.31461329 0.68333787 1
C C5 1 0.13075959 0.70313043 0.90585784 1
| -154.293096 |
4,806 | C-157674-4910-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.01735000
_cell_length_b 3.63366000
_cell_length_c 5.95023000
_cell_angle_alpha 87.90747000
_cell_angle_beta 47.41405000
_cell_angle_gamma 70.28745000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.45323337
_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 0.94857470 0.03909175 0.50870288 1
C C1 1 -0.05434341 0.60060503 1.00840878 1
C C2 1 -0.05645521 0.98252207 0.00926563 1
C C3 1 0.33279305 0.25388470 0.31799094 1
C C4 1 0.32776314 0.19731502 0.81855370 1
C C5 1 0.33068125 0.63580175 0.31884780 1
| -154.099443 |
2,581 | C-130528-4330-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39680000
_cell_length_b 6.60592000
_cell_length_c 4.94961000
_cell_angle_alpha 67.90746000
_cell_angle_beta 64.63887000
_cell_angle_gamma 53.35848000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 79.40833305
_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 0.55137791 0.38472335 0.46112155 1
C C1 1 0.16296200 0.55655946 0.27627025 1
C C2 1 0.06671375 0.34268263 0.25840166 1
C C3 1 0.92517338 0.05305681 0.02972719 1
C C4 1 0.02437273 0.41999507 0.95092318 1
C C5 1 0.33066507 0.72935149 0.70612921 1
C C6 1 1.44610857 0.46530100 0.73079123 1
C C7 1 0.59336797 0.80617716 0.37597856 1
C C8 1 0.52967199 0.07559654 0.33014800 1
C C9 1 0.80669643 0.94817431 0.83255282 1
C C10 1 0.51318066 0.64689490 -0.01282370 1
C C11 1 0.45013299 0.85708321 0.07493252 1
C C12 1 -0.04079200 0.27201438 0.82470952 1
C C13 1 0.50925225 0.14762699 0.59850061 1
| -154.175379 |
6,300 | C-107725-3127-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27079000
_cell_length_b 3.57178000
_cell_length_c 4.84338000
_cell_angle_alpha 100.17832000
_cell_angle_beta 108.51077000
_cell_angle_gamma 103.58135000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 50.18006457
_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 1.04772418 0.71388160 0.18021896 1
C C1 1 0.19375138 0.45057069 0.72194474 1
C C2 1 0.51101162 0.87252001 0.43857142 1
C C3 1 0.66960976 0.52479047 0.27189668 1
C C4 1 0.91555696 0.97017573 0.98294341 1
C C5 1 0.52518233 0.79090209 0.73083847 1
C C6 1 0.80267714 0.26919187 0.46945037 1
C C7 1 0.20827032 0.36629763 1.01372657 1
| -154.070559 |
2,948 | C-50249-759-60 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46468000
_cell_length_b 7.08466000
_cell_length_c 8.02036000
_cell_angle_alpha 116.75922000
_cell_angle_beta 97.15641000
_cell_angle_gamma 100.70248000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 119.36408976
_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 0.48927817 0.32857328 0.89314998 1
C C1 1 0.26757226 0.10130457 0.73686606 1
C C2 1 -0.04325393 0.44575628 0.70241791 1
C C3 1 0.04022275 0.78183183 0.57936930 1
C C4 1 0.41501301 0.43831386 0.62020017 1
C C5 1 0.77477315 0.55998680 0.24378934 1
C C6 1 1.10996633 0.95952390 0.52033952 1
C C7 1 0.27172874 0.67590080 0.04718250 1
C C8 1 0.71608124 0.95617814 0.92570798 1
C C9 1 0.31932416 0.42637664 0.43407855 1
C C10 1 0.87099281 0.54978030 0.42691503 1
C C11 1 0.00493120 0.20111610 0.08811276 1
C C12 1 0.33240118 0.68435074 0.23541442 1
C C13 1 0.58858998 0.05317990 0.26610093 1
C C14 1 0.16712706 0.92596564 0.79394477 1
C C15 1 1.14098993 0.18890246 0.27503319 1
C C16 1 0.53080401 0.86820115 1.05896516 1
C C17 1 0.56659395 0.32327547 0.07959887 1
C C18 1 1.05023007 0.45293714 0.88673417 1
C C19 1 0.54415074 0.93370678 0.39352340 1
| -154.09282 |
3,568 | C-189732-2937-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35079000
_cell_length_b 5.02473000
_cell_length_c 4.92125000
_cell_angle_alpha 132.27986000
_cell_angle_beta 102.48521000
_cell_angle_gamma 92.36195000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.82175366
_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 0.25380591 0.82761082 0.88960954 1
C C1 1 0.93355040 0.85608179 0.08802126 1
C C2 1 0.25057177 0.87001275 0.37462620 1
C C3 1 0.50924526 0.56255690 0.85035888 1
C C4 1 0.93380343 0.22368452 0.85537179 1
C C5 1 0.04594777 0.83376005 0.59665803 1
C C6 1 0.59754670 0.20349352 0.56877460 1
C C7 1 0.66688345 0.13864014 0.23421141 1
C C8 1 0.74034900 0.42768134 0.22179088 1
C C9 1 0.36226742 0.51367057 0.08601292 1
| -154.119476 |
3,734 | C-40138-885-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47509000
_cell_length_b 4.24762000
_cell_length_c 3.72239000
_cell_angle_alpha 64.02072000
_cell_angle_beta 89.99963000
_cell_angle_gamma 89.99336000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.17995459
_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 0.82475355 0.75446972 0.02184538 1
C C1 1 0.32475992 0.53308749 0.13271812 1
C C2 1 0.32434408 0.25518978 0.56744720 1
C C3 1 0.82446636 1.03240417 0.58683174 1
C C4 1 0.32484440 0.25534783 0.97538385 1
C C5 1 0.82504008 0.03230700 0.17878982 1
| -154.286109 |
1,879 | C-40130-2113-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47759000
_cell_length_b 2.47831000
_cell_length_c 6.31058000
_cell_angle_alpha 89.99374000
_cell_angle_beta 78.69328000
_cell_angle_gamma 59.96530000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.67431464
_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 0.28752163 0.44019375 0.77688616 1
C C1 1 0.56646214 0.30016987 0.35890987 1
C C2 1 0.01050164 0.07859500 0.69335649 1
C C3 1 0.72994551 0.21861906 0.11122407 1
C C4 1 0.17812438 0.99434106 0.44244642 1
C C5 1 1.11873908 0.52437336 0.02777479 1
| -154.526699 |
9,941 | C-157707-3900-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42584000
_cell_length_b 4.21782000
_cell_length_c 4.21819000
_cell_angle_alpha 89.71436000
_cell_angle_beta 89.97066000
_cell_angle_gamma 89.96460000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.15894265
_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 0.36421802 0.80438780 0.86549178 1
C C1 1 -0.13534643 0.30822595 0.77742612 1
C C2 1 0.86436207 0.65609201 0.71789853 1
C C3 1 0.36473552 0.15213371 0.80568171 1
C C4 1 0.86384592 0.71723415 0.36963333 1
C C5 1 0.36386550 0.74389197 0.21381763 1
| -154.313702 |
1,984 | C-177248-5809-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47654000
_cell_length_b 5.78293000
_cell_length_c 5.09547000
_cell_angle_alpha 111.45088000
_cell_angle_beta 90.03179000
_cell_angle_gamma 89.99489000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.92065117
_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 0.84935552 0.41733539 0.64192987 1
C C1 1 0.34989917 0.74985629 -0.02013488 1
C C2 1 -0.15157852 0.63108377 0.56651447 1
C C3 1 -0.15165450 0.22178805 0.35695257 1
C C4 1 0.34809538 0.60464054 0.39330991 1
C C5 1 0.34954359 0.22002802 0.90815229 1
C C6 1 0.34971872 0.44429334 0.81504577 1
C C7 1 0.34879091 0.82777077 0.29900295 1
C C8 1 0.84975347 0.82634580 0.85120116 1
C C9 1 0.84961242 1.06438738 0.77889903 1
C C10 1 0.84883826 -0.01653534 0.42817896 1
C C11 1 0.34825579 0.29829650 0.22769559 1
| -154.236922 |
963 | C-152597-8815-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58953000
_cell_length_b 4.39777000
_cell_length_c 4.43550000
_cell_angle_alpha 115.85692000
_cell_angle_beta 73.26489000
_cell_angle_gamma 86.28233000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.84849844
_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 0.53345795 0.41444638 0.50185925 1
C C1 1 0.74197713 0.27531084 0.08280103 1
C C2 1 0.16700193 0.68235241 0.61048079 1
C C3 1 0.30748004 -0.18319053 0.35029043 1
C C4 1 -0.28034122 0.60456653 1.05780561 1
C C5 1 0.96774735 -0.12710460 0.23416768 1
C C6 1 0.55537680 0.08523725 0.52686349 1
C C7 1 0.52467840 0.04086242 0.86034863 1
C C8 1 0.75070312 0.64894387 0.72417592 1
C C9 1 0.10816209 0.00766464 0.97428796 1
| -154.153535 |
8,742 | C-72734-9855-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72756000
_cell_length_b 3.72837000
_cell_length_c 3.72847000
_cell_angle_alpha 109.48078000
_cell_angle_beta 109.52151000
_cell_angle_gamma 109.46713000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.86145244
_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 -0.02435031 0.70185928 0.12803599 1
C C1 1 0.47533865 0.45148513 0.87794796 1
C C2 1 0.47582778 0.20180527 0.12823722 1
C C3 1 0.97582490 0.45224042 0.37817926 1
C C4 1 0.22588330 0.70147059 0.87819989 1
C C5 1 0.22564269 0.20152222 0.37775729 1
| -154.083266 |
1,500 | C-113078-2193-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61199000
_cell_length_b 3.38912000
_cell_length_c 6.54299000
_cell_angle_alpha 95.57420000
_cell_angle_beta 98.54942000
_cell_angle_gamma 66.58227000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 72.61779997
_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 0.72775116 0.57312033 0.53557055 1
C C1 1 0.02688701 0.61433166 0.87784688 1
C C2 1 1.06034193 0.15299654 1.13481451 1
C C3 1 0.26603722 0.13465925 0.78889844 1
C C4 1 -0.01909284 0.77996535 0.44206404 1
C C5 1 0.80899781 0.94283830 0.22080291 1
C C6 1 0.40581257 0.22757666 0.26012069 1
C C7 1 0.69201661 -0.08554606 0.71483026 1
C C8 1 0.77822484 0.60592321 0.04847980 1
C C9 1 -0.06852084 0.12351539 0.61705993 1
C C10 1 0.29661421 0.84213923 0.96436964 1
C C11 1 0.38333222 0.52437695 0.40920335 1
| -154.093683 |
3,489 | C-72736-7953-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.43581000
_cell_length_b 4.38068000
_cell_length_c 3.63745000
_cell_angle_alpha 123.90026000
_cell_angle_beta 79.58995000
_cell_angle_gamma 104.93383000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.85984701
_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 0.15223943 0.80980921 0.47371641 1
C C1 1 0.65190062 0.30964424 0.41330550 1
C C2 1 0.65250407 0.30929384 1.03295176 1
C C3 1 0.96028335 0.61719575 0.06785533 1
C C4 1 0.46069622 0.11688505 0.62703847 1
C C5 1 0.96104622 0.61730411 0.68773463 1
| -154.127757 |
8,621 | C-130526-2423-53 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43138000
_cell_length_b 4.04923000
_cell_length_c 4.62897000
_cell_angle_alpha 84.71550000
_cell_angle_beta 72.47246000
_cell_angle_gamma 92.20233000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.16745511
_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 0.37753030 0.41190812 1.00282579 1
C C1 1 0.26453565 0.62985591 0.22751761 1
C C2 1 0.93233917 0.29868539 0.89262973 1
C C3 1 0.70924804 0.74182400 0.33853560 1
C C4 1 0.04370801 0.07743587 0.67018894 1
C C5 1 0.59894472 0.96536511 0.55945582 1
| -154.457753 |
7,783 | C-91046-2845-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47478000
_cell_length_b 5.46295000
_cell_length_c 8.34347000
_cell_angle_alpha 111.03228000
_cell_angle_beta 82.79874000
_cell_angle_gamma 109.05354000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 99.51296199
_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 0.45178824 0.71617314 0.12864602 1
C C1 1 0.29821705 0.93978484 0.94089995 1
C C2 1 0.29440854 0.17541433 0.25336593 1
C C3 1 -0.13933165 0.79218891 0.40624631 1
C C4 1 0.62913691 0.23307596 0.51942250 1
C C5 1 1.22350636 0.63825878 0.43550123 1
C C6 1 0.67966172 0.78784882 0.96397400 1
C C7 1 1.44803220 0.22926007 0.07863120 1
C C8 1 0.08352685 0.38271825 1.04907676 1
C C9 1 0.63040373 0.50910690 0.83166667 1
C C10 1 1.01056109 0.08128188 0.54251375 1
C C11 1 0.25518318 0.65708982 0.62399733 1
C C12 1 0.05043958 0.36261660 -0.13961428 1
C C13 1 0.35636914 0.93927378 0.75592280 1
C C14 1 0.01435828 -0.15500413 0.23131803 1
C C15 1 0.95367386 1.08206804 0.72804422 1
C C16 1 0.67515434 0.51037131 0.65283850 1
C C17 1 0.85864239 0.30577699 0.35589389 1
| -154.261717 |
1,308 | C-73626-2668-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48106000
_cell_length_b 5.78238000
_cell_length_c 5.64338000
_cell_angle_alpha 118.80801000
_cell_angle_beta 89.97485000
_cell_angle_gamma 102.41922000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.77675865
_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 0.33064444 0.09458219 0.45150067 1
C C1 1 0.18318609 0.79456018 0.73265186 1
C C2 1 0.02804554 0.48724140 0.55680666 1
C C3 1 0.75378002 -0.06365191 0.70678726 1
C C4 1 0.49060498 0.41634202 0.92522827 1
C C5 1 0.92105274 0.27527036 0.95181595 1
C C6 1 0.64437247 0.72339337 1.10104497 1
C C7 1 0.34297572 0.11632348 0.20679519 1
C C8 1 0.92125583 0.27302201 0.22100226 1
C C9 1 0.75262280 0.93819604 0.43702173 1
C C10 1 0.19699844 0.82515932 0.01556423 1
C C11 1 0.47548693 0.38580063 0.64261454 1
| -154.230317 |
9,606 | C-90837-7402-53 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47785000
_cell_length_b 5.41959000
_cell_length_c 5.42369000
_cell_angle_alpha 78.62928000
_cell_angle_beta 90.00807000
_cell_angle_gamma 90.00613000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 71.40476955
_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 0.69246570 0.81717564 0.40146708 1
C C1 1 0.19257129 0.24211142 0.83035396 1
C C2 1 0.69286679 0.49109716 0.07496845 1
C C3 1 0.69238183 0.67040872 0.66589083 1
C C4 1 0.69291552 0.08017242 0.48664929 1
C C5 1 0.69249227 0.40559061 0.81276603 1
C C6 1 0.19259040 0.83384481 0.23866369 1
C C7 1 0.19250914 0.11846534 0.11435205 1
C C8 1 0.19260383 0.77840029 0.77375456 1
C C9 1 0.19298354 0.65386048 1.05802078 1
C C10 1 0.69262577 0.22677244 0.22206222 1
C C11 1 1.19298152 0.06223708 0.64980496 1
| -154.28975 |
8,302 | C-106839-3195-54 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47246000
_cell_length_b 5.73423000
_cell_length_c 5.96992000
_cell_angle_alpha 86.80589000
_cell_angle_beta 101.86974000
_cell_angle_gamma 115.50173000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 74.70809196
_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 0.89709977 0.39707092 0.34931654 1
C C1 1 0.94723144 -0.04507742 0.32520771 1
C C2 1 0.10707840 0.41080415 0.73837317 1
C C3 1 0.27618430 0.24350642 0.41190441 1
C C4 1 0.27027528 0.45052630 0.98832811 1
C C5 1 0.34767249 0.92339503 0.18560235 1
C C6 1 0.25633170 0.94200901 0.96495415 1
C C7 1 0.88351540 0.78432005 0.54404570 1
C C8 1 0.21253699 0.61259164 0.54628038 1
C C9 1 0.82007364 0.44525900 0.10181683 1
C C10 1 0.41282135 0.25099249 0.66930421 1
C C11 1 0.18123274 -0.01867397 0.74256355 1
| -154.08096 |
8,132 | C-184050-397-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42604000
_cell_length_b 4.22456000
_cell_length_c 4.22497000
_cell_angle_alpha 88.67943000
_cell_angle_beta 89.99883000
_cell_angle_gamma 90.00703000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.29001157
_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 0.74995272 0.74883520 0.76774814 1
C C1 1 0.24997011 0.72415143 0.92435327 1
C C2 1 0.24664909 0.31395373 0.33270968 1
C C3 1 0.24824277 0.66260160 0.27263317 1
C C4 1 0.74675510 0.15735758 0.35750860 1
C C5 1 0.74842572 0.80906656 0.41903514 1
| -154.310656 |
4,522 | C-176683-1873-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.53910000
_cell_length_b 5.32164000
_cell_length_c 4.80946000
_cell_angle_alpha 90.10236000
_cell_angle_beta 89.76951000
_cell_angle_gamma 101.38239000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 63.70756459
_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 1.15936153 0.48440034 0.56840406 1
C C1 1 0.73244994 0.64984822 0.15530375 1
C C2 1 0.16161577 0.48406721 1.08656497 1
C C3 1 0.73039676 0.65019728 0.49886381 1
C C4 1 0.08900383 0.33267124 0.82712484 1
C C5 1 0.08870333 0.31855873 0.32712238 1
C C6 1 0.93690446 0.06441556 0.32654287 1
C C7 1 0.86009195 -0.07659584 0.57258913 1
C C8 1 -0.06257271 1.05771640 0.82660040 1
C C9 1 0.86180604 0.92281385 0.08039588 1
| -154.097918 |
3,991 | C-176635-5996-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52439000
_cell_length_b 4.66412000
_cell_length_c 4.97190000
_cell_angle_alpha 83.88997000
_cell_angle_beta 89.99008000
_cell_angle_gamma 90.06820000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.20685110
_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 0.15031078 0.10616887 0.84407517 1
C C1 1 0.64824136 0.31176893 0.30782736 1
C C2 1 0.64792394 0.45322735 0.52538077 1
C C3 1 0.64851459 0.77743951 0.54608040 1
C C4 1 1.14948843 0.65876299 0.98906613 1
C C5 1 0.64993625 -0.01281643 0.28701274 1
C C6 1 0.15057983 0.93574099 0.12572491 1
C C7 1 -0.35141573 0.47921519 0.03069543 1
C C8 1 0.64983623 0.28582500 0.80244430 1
C C9 1 0.14916910 0.82947699 0.70728148 1
| -154.249085 |
1,620 | C-13651-5621-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50576000
_cell_length_b 4.83681000
_cell_length_c 5.44826000
_cell_angle_alpha 76.19155000
_cell_angle_beta 62.58000000
_cell_angle_gamma 58.79086000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 50.13136281
_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 0.18062612 -0.03263200 0.92510675 1
C C1 1 0.21581676 0.75917017 0.59802217 1
C C2 1 1.00822456 0.46747123 0.09745117 1
C C3 1 0.71644379 0.25892507 0.09768733 1
C C4 1 0.88905311 0.75884442 -0.07509290 1
C C5 1 0.68045403 0.46783016 0.42480538 1
C C6 1 0.50717751 0.96785408 0.59822391 1
C C7 1 0.38870492 0.25920808 0.42508238 1
| -154.127323 |
8,286 | C-92160-9421-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39796000
_cell_length_b 4.13269000
_cell_length_c 6.98384000
_cell_angle_alpha 70.96380000
_cell_angle_beta 101.43986000
_cell_angle_gamma 69.88416000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 81.55327892
_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 0.42243754 0.08562384 0.12215948 1
C C1 1 0.25724223 0.54319154 0.66387468 1
C C2 1 0.19567545 0.19156057 0.73109752 1
C C3 1 0.75132622 0.69480061 0.12881132 1
C C4 1 0.80955335 0.89375141 0.57365993 1
C C5 1 0.59418569 0.50442704 0.84704187 1
C C6 1 0.38747980 0.55921612 0.47012298 1
C C7 1 0.56190591 0.85062263 0.37608693 1
C C8 1 0.45785340 0.48611336 0.03959923 1
C C9 1 0.98378520 -0.20802302 0.97238908 1
C C10 1 0.85499505 0.25124873 0.52878492 1
C C11 1 0.96859658 0.53381175 0.36382083 1
C C12 1 0.64167315 0.86015918 0.76840944 1
C C13 1 0.03305824 1.15472213 0.92699851 1
| -154.08657 |
5,802 | C-142763-5042-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47481000
_cell_length_b 4.16002000
_cell_length_c 6.89420000
_cell_angle_alpha 107.57318000
_cell_angle_beta 100.35856000
_cell_angle_gamma 89.99018000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 66.45145843
_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 0.86319347 0.12937899 0.56311528 1
C C1 1 0.52587685 0.91900941 0.88814314 1
C C2 1 0.64362773 0.40936550 0.12643634 1
C C3 1 0.86307896 0.75499827 0.56312726 1
C C4 1 -0.02700187 0.36833664 0.78484203 1
C C5 1 1.19670964 -0.03918899 0.23064362 1
C C6 1 0.30668728 0.57431890 0.45243685 1
C C7 1 0.19665527 0.59055780 0.23043659 1
C C8 1 0.30679818 0.19955944 0.45256474 1
C C9 1 -0.35648197 0.03755228 0.12628983 1
C C10 1 -0.02696623 0.73690849 0.78466131 1
C C11 1 0.52568649 0.28938557 0.88811860 1
| -154.444306 |
7,081 | C-106055-8751-56 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50156000
_cell_length_b 7.11665000
_cell_length_c 5.95119000
_cell_angle_alpha 99.24097000
_cell_angle_beta 89.80366000
_cell_angle_gamma 87.86511000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 104.49505310
_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 0.46769971 0.64515142 0.49785003 1
C C1 1 0.42263570 0.54670414 0.10219235 1
C C2 1 0.47586545 0.12190163 0.55018404 1
C C3 1 0.89918244 0.67434060 0.12370992 1
C C4 1 0.97762034 0.18847762 0.11739224 1
C C5 1 0.51980396 -0.02379982 0.33628076 1
C C6 1 0.96799386 0.84059985 0.00384044 1
C C7 1 0.44557051 0.39969986 0.88802308 1
C C8 1 -0.03598865 0.74106218 0.57805615 1
C C9 1 1.00898738 -0.00043959 0.19187956 1
C C10 1 -0.28621601 0.78065401 0.36364256 1
C C11 1 -0.03172390 -0.09897432 0.77759325 1
C C12 1 0.45340513 0.46229042 0.32643917 1
C C13 1 0.46638249 0.03169256 0.76712559 1
C C14 1 -0.03720707 0.34217287 0.33327554 1
C C15 1 0.46962147 0.19647506 0.97335085 1
C C16 1 0.96372063 0.24768392 0.55047215 1
C C17 1 0.94969956 0.38971280 0.75903884 1
| -154.129845 |
7,830 | C-40106-2927-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13651000
_cell_length_b 5.52990000
_cell_length_c 4.91829000
_cell_angle_alpha 106.53524000
_cell_angle_beta 96.12876000
_cell_angle_gamma 103.49895000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 103.04519406
_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 0.41429344 0.85764023 0.86322754 1
C C1 1 0.89708532 0.24465049 0.95307580 1
C C2 1 -0.05056602 0.00193777 0.26044810 1
C C3 1 0.72889404 0.30173070 0.73398458 1
C C4 1 0.20577958 0.62783974 -0.11338328 1
C C5 1 0.25972761 0.93301288 0.64156074 1
C C6 1 0.26087610 0.20684097 0.36313472 1
C C7 1 0.74199102 0.59770816 0.45717871 1
C C8 1 0.41553284 0.42953696 0.28858754 1
C C9 1 0.89550684 0.52472082 0.68224501 1
C C10 1 0.74262690 1.02206471 1.02822132 1
C C11 1 0.42665162 0.15429748 0.58669784 1
C C12 1 0.95030570 0.82819811 0.43593304 1
C C13 1 0.20774002 0.45184068 0.05920346 1
| -154.206511 |
1,964 | C-177228-7508-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45729000
_cell_length_b 5.61842000
_cell_length_c 4.69393000
_cell_angle_alpha 52.13756000
_cell_angle_beta 47.31755000
_cell_angle_gamma 55.68751000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 51.17630245
_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 0.37666917 0.56679544 0.80686371 1
C C1 1 0.36918581 0.59349875 0.27570160 1
C C2 1 0.46949570 0.43158852 0.59579713 1
C C3 1 0.66627626 0.07765956 0.35131006 1
C C4 1 0.18015104 0.91081840 0.71821998 1
C C5 1 0.17925562 0.92074547 0.05137453 1
C C6 1 0.47688693 0.40494844 0.12698504 1
C C7 1 0.66520596 0.08754612 0.68440485 1
| -154.119825 |
8,839 | C-130230-8331-71 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48114000
_cell_length_b 8.54851000
_cell_length_c 6.01468000
_cell_angle_alpha 69.22427000
_cell_angle_beta 104.80117000
_cell_angle_gamma 102.68493000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 114.13884411
_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 0.33520496 0.77674760 0.88173115 1
C C1 1 0.85883426 0.99845230 0.23106365 1
C C2 1 0.86551629 0.39123115 0.37571865 1
C C3 1 0.58149354 0.43617328 0.92360934 1
C C4 1 0.75826659 0.47375870 0.53589761 1
C C5 1 0.79756133 0.51674794 0.12627344 1
C C6 1 0.03927592 0.50051388 0.77121582 1
C C7 1 0.20240002 0.68733101 0.69453864 1
C C8 1 0.87701443 0.88065349 0.84553560 1
C C9 1 0.59996779 0.64810771 0.36863789 1
C C10 1 0.94114128 0.17138828 0.09537038 1
C C11 1 0.38385402 0.31303139 0.49120283 1
C C12 1 1.21113111 0.73736715 0.42968834 1
C C13 1 0.32998644 0.91684852 0.29281544 1
C C14 1 0.38079084 0.62538571 0.12012514 1
C C15 1 0.39420322 0.13884800 0.64828509 1
C C16 1 0.87851893 0.05147449 0.71279412 1
C C17 1 0.46598523 0.25259770 1.03182816 1
| -154.077057 |
5,964 | C-53842-5928-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.60982000
_cell_length_b 3.64860000
_cell_length_c 5.53779000
_cell_angle_alpha 109.27787000
_cell_angle_beta 119.20516000
_cell_angle_gamma 90.02560000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.60439886
_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 1.12435593 0.50636349 0.99579429 1
C C1 1 0.31487998 0.90965584 0.18668591 1
C C2 1 0.31491991 0.29445418 0.18661941 1
C C3 1 0.62359790 0.56400330 0.49485828 1
C C4 1 0.81405893 0.35168625 0.68538578 1
C C5 1 0.62337124 0.94851714 0.49456194 1
| -154.098661 |
3,364 | C-136245-2409-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48752000
_cell_length_b 3.51842000
_cell_length_c 4.30452000
_cell_angle_alpha 65.87761000
_cell_angle_beta 106.80624000
_cell_angle_gamma 89.99898000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.61274981
_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 0.57459718 0.57240051 0.96762934 1
C C1 1 0.40819467 0.48846585 0.63457896 1
C C2 1 0.07474114 0.82183577 -0.03208919 1
C C3 1 0.24133442 0.90571682 0.30096940 1
C C4 1 0.74145743 0.15514955 0.30123890 1
C C5 1 -0.09194929 0.23903059 0.63429749 1
| -154.545286 |
3,938 | C-96711-312-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50253000
_cell_length_b 6.32990000
_cell_length_c 6.82692000
_cell_angle_alpha 61.00747000
_cell_angle_beta 81.96181000
_cell_angle_gamma 57.65781000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 78.86603509
_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 -0.25400676 0.73565930 -0.06522995 1
C C1 1 0.72280590 0.08969808 0.45961232 1
C C2 1 0.74203749 0.52773290 0.17154914 1
C C3 1 -0.23001009 0.41479743 0.57041378 1
C C4 1 0.16402215 0.56242250 0.82296546 1
C C5 1 0.35926040 0.09314798 1.04753350 1
C C6 1 0.44292125 -0.08754781 0.47794395 1
C C7 1 0.57206771 1.00110922 0.87004863 1
C C8 1 0.45291526 0.65196162 0.32452690 1
C C9 1 0.61109493 0.26549469 0.03071580 1
C C10 1 0.67764860 0.83665746 0.28606972 1
C C11 1 0.49747139 0.21878663 0.62509504 1
C C12 1 0.46688376 0.34148060 0.21831743 1
C C13 1 0.64407010 0.60960140 0.68078309 1
| -154.159833 |
2,797 | C-41310-6976-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48305000
_cell_length_b 3.84582000
_cell_length_c 4.48883000
_cell_angle_alpha 89.90035000
_cell_angle_beta 56.42093000
_cell_angle_gamma 89.97596000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.71216076
_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 -0.02753779 0.18944899 0.74249544 1
C C1 1 0.70135275 0.18891864 0.51354631 1
C C2 1 0.70505119 0.89482689 1.01005757 1
C C3 1 -0.03131353 0.48406221 0.24607581 1
C C4 1 0.70542361 0.48442553 1.00936582 1
C C5 1 -0.03160443 0.89443093 0.24669006 1
| -154.158548 |
3,303 | C-192690-3641-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45939000
_cell_length_b 7.09478000
_cell_length_c 8.60230000
_cell_angle_alpha 94.18834000
_cell_angle_beta 89.91188000
_cell_angle_gamma 110.23094000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 140.41861319
_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 0.09204560 0.53989085 0.57743291 1
C C1 1 0.42239701 0.37215123 0.18400920 1
C C2 1 0.56251037 1.01815515 0.78128290 1
C C3 1 0.37658167 0.32786760 0.73563910 1
C C4 1 0.48848319 0.94575392 0.94790445 1
C C5 1 0.95725549 0.91232782 0.70982192 1
C C6 1 0.75805194 0.70914403 0.78950706 1
C C7 1 0.02087109 0.97791005 0.21683896 1
C C8 1 0.46218982 -0.08034173 0.45657120 1
C C9 1 0.55998858 0.51448437 0.06520510 1
C C10 1 0.58380432 0.53299112 0.66951966 1
C C11 1 0.78231763 0.23393305 0.75545699 1
C C12 1 0.03689443 0.48266224 0.42067955 1
C C13 1 1.21603030 0.17415536 0.14600494 1
C C14 1 0.04402439 0.00197549 1.03682318 1
C C15 1 -0.04943535 0.90779469 0.53732861 1
C C16 1 0.50799002 0.45297318 0.34418090 1
C C17 1 0.27019572 0.72199688 0.89112797 1
C C18 1 0.47761773 0.93552029 0.29597244 1
C C19 1 0.12625423 0.58015821 0.01236446 1
| -154.101152 |
4,962 | C-177252-751-53 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28671000
_cell_length_b 3.28707000
_cell_length_c 4.79950000
_cell_angle_alpha 72.68090000
_cell_angle_beta 73.06735000
_cell_angle_gamma 98.13669000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.85258169
_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 0.55198512 -0.01875777 0.77217802 1
C C1 1 0.91287939 0.30077808 0.09176654 1
C C2 1 0.19176744 0.62070405 0.77191208 1
C C3 1 0.55198512 0.48124223 0.27217802 1
C C4 1 0.55198669 0.44041530 0.59194181 1
C C5 1 0.19176744 0.12070405 0.27191208 1
C C6 1 -0.08712061 0.80077808 0.59176654 1
C C7 1 0.55198669 0.94041530 0.09194181 1
| -154.332091 |
9,319 | C-9603-8567-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46561000
_cell_length_b 3.32871000
_cell_length_c 7.34268000
_cell_angle_alpha 99.41603000
_cell_angle_beta 116.58633000
_cell_angle_gamma 104.37049000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 49.51135277
_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 0.85660996 0.08666120 0.67354145 1
C C1 1 0.14512606 0.12377075 0.88002391 1
C C2 1 0.29847369 0.64988510 0.17009417 1
C C3 1 0.87267827 0.92136711 0.16825460 1
C C4 1 0.70362206 0.55940580 0.38337686 1
C C5 1 0.83594904 1.18268995 1.00922674 1
C C6 1 0.16591838 0.02741237 0.54433471 1
C C7 1 0.12899925 0.28806201 0.38513016 1
| -154.159278 |
8,872 | C-80164-8806-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48785000
_cell_length_b 4.30478000
_cell_length_c 4.30377000
_cell_angle_alpha 80.41333000
_cell_angle_beta 89.98338000
_cell_angle_gamma 73.17367000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.44628003
_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 0.15475455 1.01133581 0.24451846 1
C C1 1 0.09299267 1.13624099 0.55731031 1
C C2 1 0.90486972 0.51134157 0.49458411 1
C C3 1 0.34306846 0.63622554 0.30737445 1
C C4 1 0.40463320 0.51132266 0.99458312 1
C C5 1 0.84282719 0.63622608 0.80737237 1
C C6 1 0.59290682 0.13621866 0.05730959 1
C C7 1 0.65475098 1.01133848 0.74451559 1
| -154.541923 |
4,607 | C-107740-6840-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43208000
_cell_length_b 6.37808000
_cell_length_c 6.43599000
_cell_angle_alpha 55.74122000
_cell_angle_beta 91.18567000
_cell_angle_gamma 90.12030000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 82.49086900
_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 0.69712434 0.64396445 0.53513100 1
C C1 1 0.70969034 0.83186349 1.02353620 1
C C2 1 0.20396973 0.22566519 0.75559009 1
C C3 1 1.20938357 0.47914523 0.08464878 1
C C4 1 0.20043675 0.51175584 0.60550037 1
C C5 1 0.71068450 0.10174876 0.92931117 1
C C6 1 0.20930882 0.71348554 1.05395725 1
C C7 1 0.69810076 1.04974008 0.54411762 1
C C8 1 0.69665365 -0.07515848 0.40510328 1
C C9 1 0.71049107 0.11624040 0.14865753 1
C C10 1 0.20068762 0.11749598 0.59788302 1
C C11 1 0.70886105 0.36603793 0.10037530 1
| -154.10049 |
5,389 | C-96694-8817-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16365000
_cell_length_b 3.29899000
_cell_length_c 5.01413000
_cell_angle_alpha 67.16391000
_cell_angle_beta 68.04577000
_cell_angle_gamma 68.71022000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.25333942
_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 0.53841624 0.38532405 0.40290607 1
C C1 1 0.15442939 0.76664014 0.40304944 1
C C2 1 0.80028252 0.41649702 1.09817211 1
C C3 1 0.58788299 0.82254119 0.90348997 1
C C4 1 0.18326404 0.03435677 0.09815075 1
C C5 1 0.75018452 0.97886382 0.59764635 1
| -154.131229 |
6,824 | C-34619-2266-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48777000
_cell_length_b 4.30354000
_cell_length_c 4.30542000
_cell_angle_alpha 109.46200000
_cell_angle_beta 90.00002000
_cell_angle_gamma 90.00012000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.46103223
_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 0.76754268 0.12176642 0.47808043 1
C C1 1 0.26748101 1.12176365 0.97807992 1
C C2 1 0.76736370 0.74672604 0.35292999 1
C C3 1 0.76748152 0.24672047 0.85300867 1
C C4 1 0.26742537 0.74672881 0.85293051 1
C C5 1 0.26736401 0.62176870 0.47799991 1
C C6 1 1.26754237 0.24672376 0.35301052 1
C C7 1 -0.23257514 0.62177200 0.97800176 1
| -154.543019 |
63 | C-57156-2568-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52542000
_cell_length_b 4.75593000
_cell_length_c 4.87939000
_cell_angle_alpha 66.72831000
_cell_angle_beta 116.74196000
_cell_angle_gamma 112.48137000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.55946461
_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 0.52060021 0.36798553 0.32332633 1
C C1 1 0.66734756 0.71770744 0.14379623 1
C C2 1 0.39046184 0.73167050 0.77605542 1
C C3 1 0.29453256 0.38823466 0.79837502 1
C C4 1 0.34643510 0.20373873 0.08630708 1
C C5 1 0.09765368 0.25916863 0.52977582 1
C C6 1 0.83564422 0.89306115 0.59650767 1
C C7 1 0.37869454 0.87328396 0.23679292 1
| -154.08355 |
5,825 | C-152567-8657-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05395000
_cell_length_b 2.43011000
_cell_length_c 5.91902000
_cell_angle_alpha 100.27660000
_cell_angle_beta 85.02460000
_cell_angle_gamma 86.93026000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.95318564
_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 0.60022753 0.76397692 0.65154892 1
C C1 1 0.15832393 0.98577541 0.09685801 1
C C2 1 0.93356087 0.09731026 0.31821559 1
C C3 1 0.49165727 0.31910874 0.76352468 1
C C4 1 0.26689420 0.43064359 0.98488225 1
C C5 1 0.82499060 0.65244208 0.43019135 1
| -154.449118 |
8,087 | C-170384-6522-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48138000
_cell_length_b 3.68780000
_cell_length_c 4.21920000
_cell_angle_alpha 104.93535000
_cell_angle_beta 89.96741000
_cell_angle_gamma 109.63246000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.97890584
_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 0.50706618 0.54413207 0.48055195 1
C C1 1 0.24828190 0.02997204 0.90898271 1
C C2 1 0.70498227 0.94183349 0.40474819 1
C C3 1 0.28322526 0.09842095 0.27396099 1
C C4 1 0.82664261 0.18728923 0.77853812 1
C C5 1 1.02733588 0.58455361 0.70263885 1
| -154.310147 |
1,316 | C-57142-7457-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21131000
_cell_length_b 4.21112000
_cell_length_c 5.59197000
_cell_angle_alpha 96.00061000
_cell_angle_beta 96.01130000
_cell_angle_gamma 120.06191000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 83.92603939
_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 0.82508139 -0.00554877 0.18807058 1
C C1 1 0.68550215 0.17984391 0.68734956 1
C C2 1 0.49174806 0.32778457 0.18807058 1
C C3 1 0.35106484 0.84543082 0.68407845 1
C C4 1 0.49038696 0.65977528 0.18387008 1
C C5 1 0.82372029 0.32644194 0.18387008 1
C C6 1 0.68439817 0.51209748 0.68407845 1
C C7 1 0.35216882 0.51317724 0.68734956 1
C C8 1 0.15841472 0.66111790 0.18807058 1
C C9 1 0.15705362 -0.00689139 0.18387008 1
C C10 1 0.01883549 0.84651058 0.68734956 1
C C11 1 0.01773150 0.17876415 0.68407845 1
| -154.43548 |
5,063 | C-113062-5806-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46008000
_cell_length_b 4.54297000
_cell_length_c 7.11567000
_cell_angle_alpha 69.52437000
_cell_angle_beta 69.80979000
_cell_angle_gamma 74.28198000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.89558682
_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 0.97224006 1.15468228 0.04322756 1
C C1 1 0.82626632 0.52954189 1.00147241 1
C C2 1 0.62555623 0.57601056 0.67886780 1
C C3 1 0.21454186 0.67081260 0.54171882 1
C C4 1 0.22965009 0.05625770 0.83420979 1
C C5 1 0.77497065 0.20683338 0.71413280 1
C C6 1 0.58181156 0.64355962 0.18892069 1
C C7 1 0.37820740 0.68043191 0.87374739 1
C C8 1 0.20714116 0.98182845 0.39459391 1
C C9 1 0.46019680 0.45148683 0.40520599 1
C C10 1 0.42799641 0.99417608 0.16913089 1
C C11 1 0.99070977 0.24592901 0.47735835 1
| -154.243574 |
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