Unnamed: 0
int64 2
10.1k
| material_id
stringlengths 12
16
| cif
stringlengths 939
1.86k
| energy_per_atom
float64 -154.56
-154.07
|
|---|---|---|---|
1,630 | C-170340-7457-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48120000
_cell_length_b 3.68908000
_cell_length_c 4.21567000
_cell_angle_alpha 75.22530000
_cell_angle_beta 90.00324000
_cell_angle_gamma 70.35912000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98454119
_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 0.80944535 0.26417095 -0.08754521 1
C C1 1 0.77719538 0.33499200 0.54745866 1
C C2 1 0.03356787 0.81880598 0.11876153 1
C C3 1 0.55257115 0.78050390 0.34125690 1
C C4 1 0.23091534 0.42128975 0.04329300 1
C C5 1 0.35538251 0.17857732 0.41630791 1
| -154.309326 |
9,347 | C-28236-2280-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43035000
_cell_length_b 4.88811000
_cell_length_c 6.07524000
_cell_angle_alpha 43.79361000
_cell_angle_beta 66.29049000
_cell_angle_gamma 60.07488000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.18264174
_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 0.40607250 1.06749519 0.63715224 1
C C1 1 0.75049439 0.21065699 0.65158455 1
C C2 1 0.33346431 0.21154887 1.06511541 1
C C3 1 0.82113721 0.06829725 0.22274205 1
C C4 1 0.76114691 0.77542169 0.57615601 1
C C5 1 0.39644057 0.50394000 0.71197583 1
| -154.25523 |
2,660 | C-157707-3900-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53381000
_cell_length_b 4.93726000
_cell_length_c 5.88591000
_cell_angle_alpha 75.41075000
_cell_angle_beta 51.41431000
_cell_angle_gamma 62.78367000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 71.30347155
_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 0.45871887 0.46353821 0.36651404 1
C C1 1 0.43074761 0.49423373 0.13576427 1
C C2 1 -0.03259261 0.95434596 0.39091887 1
C C3 1 -0.46549602 0.38487185 0.73900221 1
C C4 1 1.21036420 0.70686250 0.75117419 1
C C5 1 0.10629087 0.81645366 0.14795877 1
C C6 1 0.66162244 0.26009221 -0.06283096 1
C C7 1 0.97895093 0.94146687 -0.05014579 1
C C8 1 0.67368337 0.24590195 0.49626780 1
C C9 1 0.18220564 0.73698177 0.52072160 1
| -154.17287 |
3,340 | C-13696-4228-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50406000
_cell_length_b 4.65282000
_cell_length_c 7.79434000
_cell_angle_alpha 102.32316000
_cell_angle_beta 90.21387000
_cell_angle_gamma 57.34724000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 74.00906334
_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 0.71189293 0.92715667 0.58658487 1
C C1 1 0.98950773 0.65015597 0.78533086 1
C C2 1 0.31142055 0.33003265 0.17209443 1
C C3 1 0.45156223 0.18977140 0.48607075 1
C C4 1 0.08733873 0.55340601 0.58635282 1
C C5 1 0.61276580 0.02760124 0.78544616 1
C C6 1 0.97003202 0.17052031 0.06551399 1
C C7 1 0.54483033 1.09848661 0.30503495 1
C C8 1 0.35590579 0.78668524 0.06551720 1
C C9 1 0.56994939 0.57060174 0.87664795 1
C C10 1 -0.09057417 0.73375106 0.17214168 1
C C11 1 0.94325868 0.19815501 0.87671684 1
| -154.065928 |
234 | C-177264-2024-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82257000
_cell_length_b 4.50020000
_cell_length_c 5.78377000
_cell_angle_alpha 110.12577000
_cell_angle_beta 77.51559000
_cell_angle_gamma 105.16594000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 112.64563417
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.45339261 0.17396305 0.20937772 1
C C1 1 0.62651885 0.43492967 0.82854238 1
C C2 1 0.67660470 0.12258957 0.66048913 1
C C3 1 -0.02862132 0.17765420 0.21618631 1
C C4 1 0.29665509 0.71411378 0.38253534 1
C C5 1 0.56126870 0.84336497 0.49197258 1
C C6 1 0.10991932 0.40715686 0.81524368 1
C C7 1 0.79920718 0.67379462 0.36278404 1
C C8 1 0.89518661 0.59313857 0.91381273 1
C C9 1 1.03171607 0.81784300 0.51986871 1
C C10 1 -0.02326943 0.10841111 0.66332627 1
C C11 1 0.30951133 0.82987933 0.13409135 1
C C12 1 0.23954681 0.35793554 0.27978010 1
C C13 1 0.98137236 0.83563751 0.14171753 1
C C14 1 0.73341349 0.31784187 0.25816930 1
C C15 1 0.37460552 0.55885645 0.90331703 1
| -154.085388 |
1,320 | C-170886-315-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32464000
_cell_length_b 4.67439000
_cell_length_c 3.82679000
_cell_angle_alpha 75.49080000
_cell_angle_beta 90.19754000
_cell_angle_gamma 53.08663000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.68334105
_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 0.56904266 0.55952940 0.26540408 1
C C1 1 0.57464052 0.24280913 0.26817870 1
C C2 1 0.28624062 0.37129310 -0.02059631 1
C C3 1 0.25825666 0.87625570 0.95233800 1
C C4 1 0.80628699 0.87604611 0.50424782 1
C C5 1 0.12368564 0.24227588 0.82001267 1
C C6 1 0.81223127 0.55895484 0.50804360 1
C C7 1 1.09619593 0.74774305 0.79099504 1
| -154.202 |
7,821 | C-126163-8054-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27936000
_cell_length_b 3.28117000
_cell_length_c 8.09379000
_cell_angle_alpha 93.38646000
_cell_angle_beta 73.45644000
_cell_angle_gamma 81.31043000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 82.04643597
_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 0.09930073 0.32500169 0.65723365 1
C C1 1 0.40560421 1.13915038 0.48776087 1
C C2 1 0.29396938 0.62184656 0.76017137 1
C C3 1 0.93352458 0.98247528 0.76007957 1
C C4 1 0.02673072 0.63393982 0.31822107 1
C C5 1 0.64541506 0.14986694 0.93748784 1
C C6 1 0.72118676 0.82222054 0.48774125 1
C C7 1 0.38828719 0.27294712 0.31804185 1
C C8 1 0.83255261 0.33596683 0.21512094 1
C C9 1 0.48088141 0.80795070 0.03778867 1
C C10 1 0.84234478 0.44764059 0.03778490 1
C C11 1 0.19321124 -0.02582819 0.21514478 1
C C12 1 0.73809259 0.68550100 0.65721400 1
C C13 1 0.28374714 0.51138115 0.93758222 1
| -154.281778 |
5,993 | C-176683-1873-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68617000
_cell_length_b 4.24839000
_cell_length_c 6.23709000
_cell_angle_alpha 50.70487000
_cell_angle_beta 103.77771000
_cell_angle_gamma 85.47273000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 69.90069032
_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 0.75364185 0.52446104 0.74073990 1
C C1 1 0.15766742 0.44712670 0.75015849 1
C C2 1 0.68246965 0.85625164 0.76083258 1
C C3 1 0.81109074 0.08634323 0.04579740 1
C C4 1 0.19326451 1.02628472 0.24497910 1
C C5 1 -0.11609873 0.75458875 0.02578024 1
C C6 1 0.37124783 0.58459728 0.54172833 1
C C7 1 0.40750482 0.16420217 0.03682450 1
C C8 1 0.15583567 0.35361618 0.26840632 1
C C9 1 0.40930514 0.25659368 0.51852773 1
| -154.145007 |
2,439 | C-76020-2605-53 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68988000
_cell_length_b 3.97297000
_cell_length_c 5.23410000
_cell_angle_alpha 67.59183000
_cell_angle_beta 50.41319000
_cell_angle_gamma 69.34179000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.65279991
_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 0.51850094 0.22160349 1.11093586 1
C C1 1 0.16551814 0.51547048 0.13642566 1
C C2 1 0.31565351 0.89125319 0.97091394 1
C C3 1 0.85161854 0.26942965 0.72752301 1
C C4 1 0.06795698 0.28318256 0.02134061 1
C C5 1 0.09105830 0.48876000 0.71688730 1
C C6 1 0.67296985 0.21748291 0.29286488 1
C C7 1 0.76955457 0.56135016 0.48611662 1
C C8 1 0.49248008 0.53917950 0.42888773 1
C C9 1 0.66379973 0.90822022 0.58843744 1
C C10 1 0.36841991 0.88316994 0.24320343 1
C C11 1 0.97872774 0.91132810 0.59526193 1
| -154.088834 |
3,474 | C-40118-1783-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27060000
_cell_length_b 3.27332000
_cell_length_c 4.23850000
_cell_angle_alpha 55.95715000
_cell_angle_beta 95.16840000
_cell_angle_gamma 80.87229000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.22514178
_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 0.49914998 0.34894477 0.30392580 1
C C1 1 0.71294749 0.79893853 0.06718225 1
C C2 1 0.85955113 -0.01192167 0.30391317 1
C C3 1 0.07389011 0.43821082 1.06688841 1
C C4 1 0.12856051 0.55241247 0.68534565 1
C C5 1 0.44549927 0.23525608 0.68564543 1
| -154.200087 |
8,925 | C-130544-211-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48126000
_cell_length_b 3.68868000
_cell_length_c 4.21785000
_cell_angle_alpha 75.24427000
_cell_angle_beta 89.93985000
_cell_angle_gamma 70.37443000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.01076359
_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 0.63290937 0.30396412 0.40036063 1
C C1 1 0.51469371 0.54581111 1.02778818 1
C C2 1 -0.16811107 0.90618403 0.32490128 1
C C3 1 0.05421848 0.46116680 0.53118124 1
C C4 1 1.09284498 0.38950018 0.89658776 1
C C5 1 0.31243852 -0.05571415 0.10290151 1
| -154.310489 |
3,081 | C-90796-891-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43062000
_cell_length_b 4.08193000
_cell_length_c 6.12816000
_cell_angle_alpha 109.30613000
_cell_angle_beta 91.86885000
_cell_angle_gamma 92.70902000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.24293994
_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 0.10512956 0.61642820 0.51845981 1
C C1 1 0.60510323 0.20314000 0.93657056 1
C C2 1 0.10518719 -0.04815767 0.18561669 1
C C3 1 0.60537164 0.86699282 0.26868594 1
C C4 1 0.60494306 0.70235182 0.43614523 1
C C5 1 0.10522291 0.11691904 0.01869373 1
C C6 1 0.60549957 0.36752636 0.76901325 1
C C7 1 1.10525714 0.45205025 0.68577029 1
| -154.467531 |
9,690 | C-53830-4868-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43170000
_cell_length_b 3.99683000
_cell_length_c 4.65178000
_cell_angle_alpha 84.33297000
_cell_angle_beta 74.02420000
_cell_angle_gamma 90.68022000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.21645498
_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 0.61088591 1.05052627 0.85018717 1
C C1 1 0.94419970 0.38387365 0.18336832 1
C C2 1 0.16502169 -0.06238091 0.73967336 1
C C3 1 0.83286136 0.60725953 0.40442684 1
C C4 1 0.27844077 0.71941856 0.51533969 1
C C5 1 0.49860936 0.27201410 0.07239042 1
| -154.46166 |
236 | C-148264-7891-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30637000
_cell_length_b 4.30197000
_cell_length_c 4.19699000
_cell_angle_alpha 60.80840000
_cell_angle_beta 60.78669000
_cell_angle_gamma 51.74288000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 51.29946871
_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 0.17192331 0.22000299 0.32182684 1
C C1 1 0.77695144 0.61539057 0.32161320 1
C C2 1 0.59487742 1.04041032 0.69273672 1
C C3 1 0.59003628 1.03394824 1.05612343 1
C C4 1 0.22539993 0.06563928 0.70675721 1
C C5 1 0.80244582 0.24523194 0.33584733 1
C C6 1 0.62037181 0.67025170 0.70697085 1
C C7 1 0.80728697 0.25169403 -0.02753938 1
| -154.143574 |
8,643 | C-73639-7493-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07557000
_cell_length_b 3.73323000
_cell_length_c 4.38856000
_cell_angle_alpha 90.00298000
_cell_angle_beta 66.95782000
_cell_angle_gamma 106.71203000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.36812184
_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 0.63087592 0.67050897 0.80507536 1
C C1 1 0.50218388 0.82898027 0.09718694 1
C C2 1 0.99698727 0.35506298 0.12050496 1
C C3 1 0.31405145 1.11570015 0.56706457 1
C C4 1 -0.00335530 0.80295561 0.57300417 1
C C5 1 0.63040159 0.11822935 0.25701042 1
C C6 1 0.31449978 0.35824688 0.81035428 1
C C7 1 0.12566641 0.64112170 0.28256449 1
| -154.190911 |
9,117 | C-136241-2721-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48103000
_cell_length_b 3.68813000
_cell_length_c 4.21768000
_cell_angle_alpha 104.81772000
_cell_angle_beta 90.00348000
_cell_angle_gamma 70.37586000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98628284
_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 0.78517260 0.52971841 0.84729627 1
C C1 1 0.20644016 0.68709394 0.71668742 1
C C2 1 -0.01789202 1.13252622 0.92307544 1
C C3 1 0.46224939 0.17137073 0.14514856 1
C C4 1 0.66184824 0.77321807 0.22038020 1
C C5 1 0.23971294 0.61701833 0.35149042 1
| -154.309222 |
8,941 | C-76050-9799-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42974000
_cell_length_b 4.62780000
_cell_length_c 5.63083000
_cell_angle_alpha 70.58792000
_cell_angle_beta 93.01982000
_cell_angle_gamma 86.33603000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 59.40960238
_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 0.47145999 0.31062121 0.40479445 1
C C1 1 0.97114702 0.56208197 0.65360719 1
C C2 1 0.47164853 0.81151525 0.90406631 1
C C3 1 0.47186455 0.14381465 0.23888736 1
C C4 1 0.47111896 0.64595853 0.73719313 1
C C5 1 0.97194432 0.06000337 0.15531293 1
C C6 1 0.97163301 -0.10454930 0.98759201 1
C C7 1 -0.02856458 0.39397622 0.48882763 1
| -154.441621 |
2,952 | C-13933-5578-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58165000
_cell_length_b 4.54479000
_cell_length_c 4.81056000
_cell_angle_alpha 101.38783000
_cell_angle_beta 75.66535000
_cell_angle_gamma 95.49733000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 74.28323104
_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 0.09238164 0.89491206 0.50901029 1
C C1 1 0.85370520 0.65336514 0.41569307 1
C C2 1 0.85018369 0.65238092 0.90801909 1
C C3 1 0.34080985 0.13573975 0.41370105 1
C C4 1 0.46549086 0.25992752 0.16075324 1
C C5 1 0.47470457 0.27131714 0.65953465 1
C C6 1 0.71322802 0.51790070 0.66279529 1
C C7 1 0.72914218 0.52732774 0.16019689 1
C C8 1 0.33680937 0.13538875 0.90668455 1
C C9 1 1.09180511 0.89677998 0.81602998 1
| -154.20105 |
9,314 | C-152597-8815-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47745000
_cell_length_b 2.47812000
_cell_length_c 6.31064000
_cell_angle_alpha 89.98934000
_cell_angle_beta 101.31568000
_cell_angle_gamma 120.02456000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.67276133
_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 0.77517808 0.82788489 0.13560329 1
C C1 1 0.38512437 0.13298041 0.05177072 1
C C2 1 0.83195618 0.35947926 0.72133111 1
C C3 1 0.22002755 1.05265359 0.80431534 1
C C4 1 0.66755906 0.27744117 0.47054809 1
C C5 1 0.94527296 0.91553169 0.38672486 1
| -154.526689 |
5,775 | C-184066-1258-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44933000
_cell_length_b 6.45244000
_cell_length_c 5.53917000
_cell_angle_alpha 90.08301000
_cell_angle_beta 90.00123000
_cell_angle_gamma 100.96118000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 85.94471280
_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 0.27809056 1.00791473 0.47741423 1
C C1 1 0.53411701 0.52492080 0.22032997 1
C C2 1 0.70595405 0.86496657 0.47721503 1
C C3 1 0.98088958 0.41978673 0.20930314 1
C C4 1 0.20000758 -0.14485922 0.84169577 1
C C5 1 0.31319025 0.08326958 0.74187583 1
C C6 1 0.87115165 0.19829296 0.82786631 1
C C7 1 0.20009607 0.85513225 0.11262637 1
C C8 1 0.98053274 0.41956542 0.74662946 1
C C9 1 0.31322942 0.08313535 0.21350970 1
C C10 1 0.53378032 0.52462906 0.73375771 1
C C11 1 0.65063058 0.75837271 0.72407629 1
C C12 1 0.65083143 0.75846330 0.23046766 1
C C13 1 -0.12873375 0.19826455 0.12891603 1
| -154.321938 |
3,705 | C-13923-8552-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51713000
_cell_length_b 4.83396000
_cell_length_c 3.51896000
_cell_angle_alpha 68.66009000
_cell_angle_beta 120.01313000
_cell_angle_gamma 136.69588000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.53212597
_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 0.57001269 0.20827494 0.39239237 1
C C1 1 0.59866629 0.54169676 0.08793888 1
C C2 1 0.63471489 0.04167639 0.15997376 1
C C3 1 -0.00317251 0.70846303 0.85584450 1
C C4 1 0.93182423 0.87505867 0.39220835 1
C C5 1 0.96824622 0.37484951 0.85602614 1
| -154.408842 |
42 | C-170329-7952-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46875000
_cell_length_b 3.37688000
_cell_length_c 5.21942000
_cell_angle_alpha 88.91274000
_cell_angle_beta 90.06470000
_cell_angle_gamma 111.37159000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.51244462
_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 0.32139110 0.55054987 0.36718221 1
C C1 1 0.88460332 0.68096986 0.76515884 1
C C2 1 1.28401632 0.47549473 0.09241433 1
C C3 1 0.69645791 0.30008710 0.96760749 1
C C4 1 -0.15273841 0.60191605 0.49098015 1
C C5 1 0.47210105 0.85635439 0.88992438 1
| -154.15346 |
8,139 | C-9606-4988-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44825000
_cell_length_b 3.37041000
_cell_length_c 8.03846000
_cell_angle_alpha 70.01805000
_cell_angle_beta 72.22485000
_cell_angle_gamma 68.68615000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.81791646
_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 -0.00523063 0.71489570 0.80233207 1
C C1 1 0.34908048 0.44352647 0.08568248 1
C C2 1 0.66556622 -0.05186035 0.51401914 1
C C3 1 0.31319608 0.83675252 0.42191337 1
C C4 1 0.54079342 0.80482610 0.71076875 1
C C5 1 0.56834169 0.42170057 0.37391915 1
C C6 1 0.21708798 0.30835943 0.28248622 1
C C7 1 0.89616946 0.53031336 -0.00609767 1
| -154.192821 |
8,790 | C-73669-4812-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48947000
_cell_length_b 5.29013000
_cell_length_c 6.03980000
_cell_angle_alpha 93.36114000
_cell_angle_beta 90.03196000
_cell_angle_gamma 118.06173000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 70.03453363
_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 0.48295359 0.67902229 0.96684330 1
C C1 1 0.66175893 0.85802339 0.21326705 1
C C2 1 0.00937849 0.20450196 0.26340345 1
C C3 1 0.79514910 0.49077218 0.98503035 1
C C4 1 0.68873409 0.38365040 0.20763172 1
C C5 1 1.01327050 0.70788562 0.58872502 1
C C6 1 1.02965230 0.72506088 0.32384052 1
C C7 1 0.56804722 0.26519919 0.80914000 1
C C8 1 0.91003638 0.10687988 0.74190058 1
C C9 1 0.05489736 0.25195303 0.51248493 1
C C10 1 0.70393591 0.40058994 0.59129436 1
C C11 1 0.60646092 0.80118825 0.72459631 1
| -154.084685 |
724 | C-157676-6832-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43017000
_cell_length_b 2.43001000
_cell_length_c 8.45058000
_cell_angle_alpha 86.53964000
_cell_angle_beta 88.21714000
_cell_angle_gamma 120.01569000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.02346918
_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 0.55047166 0.76900182 0.95089750 1
C C1 1 0.64013934 0.03518359 0.29216940 1
C C2 1 -0.05778123 0.54445540 0.62217309 1
C C3 1 0.27538998 0.21026468 0.62303855 1
C C4 1 -0.02624336 0.70212816 0.29250418 1
C C5 1 1.21701500 0.10182005 0.95051829 1
| -154.456232 |
4,678 | C-76008-2415-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.56439000
_cell_length_b 5.30695000
_cell_length_c 6.58472000
_cell_angle_alpha 125.98965000
_cell_angle_beta 90.03825000
_cell_angle_gamma 89.98603000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 72.50716271
_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 -0.03814319 0.82881264 0.42712086 1
C C1 1 0.46107084 -0.02705299 0.40294233 1
C C2 1 0.46001264 0.01219859 0.19497722 1
C C3 1 0.46268943 0.81557462 0.75414123 1
C C4 1 0.46174536 0.29907268 0.61054525 1
C C5 1 0.46193134 0.44494040 0.87750036 1
C C6 1 0.46149505 0.34416266 0.27982391 1
C C7 1 0.96201101 0.45537170 0.22014761 1
C C8 1 0.46174095 0.77688259 0.96193508 1
C C9 1 0.96256552 0.33386470 0.93699144 1
C C10 1 0.46223688 0.48926894 0.54667393 1
C C11 1 -0.03716252 0.95944795 0.72998007 1
| -154.108717 |
4,181 | C-126140-1845-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47983000
_cell_length_b 3.69049000
_cell_length_c 5.98326000
_cell_angle_alpha 54.79408000
_cell_angle_beta 51.52116000
_cell_angle_gamma 70.33440000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00431349
_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 0.35788141 0.41177433 0.91310449 1
C C1 1 0.52870777 0.35620368 0.48455471 1
C C2 1 0.78705466 0.17285535 0.70655131 1
C C3 1 -0.04260060 0.11709281 0.27816397 1
C C4 1 0.40432093 0.82905251 0.40959287 1
C C5 1 0.91035893 0.69950281 0.78211995 1
| -154.315752 |
1,708 | C-148264-7891-53 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48350000
_cell_length_b 4.82666000
_cell_length_c 6.73460000
_cell_angle_alpha 89.99173000
_cell_angle_beta 56.41586000
_cell_angle_gamma 89.99363000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.25219414
_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 0.59789012 0.65308756 0.62231191 1
C C1 1 0.31932218 1.05671221 0.47435851 1
C C2 1 0.32790036 0.88627616 0.80239237 1
C C3 1 0.39302872 0.38603169 0.75847454 1
C C4 1 0.65908349 0.38600828 0.91441696 1
C C5 1 0.31919572 0.71536833 0.47449503 1
C C6 1 0.59408933 0.88615488 0.95843932 1
C C7 1 0.59811287 0.11781026 0.62208395 1
C C8 1 0.66783913 0.21549977 0.24241087 1
C C9 1 -0.33222172 0.55664982 0.24236188 1
C C10 1 0.38958044 0.61766869 0.09455791 1
C C11 1 0.38927996 0.15310554 0.09481876 1
| -154.444835 |
6,989 | C-193918-9298-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42004000
_cell_length_b 3.63459000
_cell_length_c 4.82206000
_cell_angle_alpha 67.95765000
_cell_angle_beta 94.22881000
_cell_angle_gamma 56.88253000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.42976599
_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 0.24907825 0.77007394 0.04281688 1
C C1 1 0.24987204 0.71124435 0.54182645 1
C C2 1 0.25092836 0.15134980 0.04410067 1
C C3 1 1.24772003 0.11717486 0.35057875 1
C C4 1 0.24815128 0.55769327 0.85256286 1
C C5 1 0.24888603 0.49865657 0.35173619 1
| -154.103648 |
1,412 | C-13673-3188-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44488000
_cell_length_b 6.53300000
_cell_length_c 7.06699000
_cell_angle_alpha 115.43645000
_cell_angle_beta 94.35247000
_cell_angle_gamma 101.56448000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 98.17713200
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.15321633 -0.02409988 0.35581059 1
C C1 1 0.61040093 0.42226958 0.24176161 1
C C2 1 0.22453136 0.73775934 0.61574981 1
C C3 1 0.56042854 0.87667569 0.25706109 1
C C4 1 0.95998792 1.02536108 0.97940998 1
C C5 1 0.73294935 0.55803237 0.93072249 1
C C6 1 1.41209376 0.92278257 0.98307203 1
C C7 1 0.34585553 0.71182608 1.01799320 1
C C8 1 0.59911329 0.42355157 0.66401083 1
C C9 1 0.11370851 0.42127022 0.34010854 1
C C10 1 0.88153619 0.09775213 0.67900204 1
C C11 1 0.12540809 0.49030672 0.57727774 1
C C12 1 0.38232944 0.15584258 0.58754941 1
C C13 1 -0.22188709 0.84501734 0.62080177 1
C C14 1 1.00867279 0.21970170 0.92094573 1
C C15 1 0.60163065 0.36944031 0.01053164 1
| -154.135712 |
2,178 | C-91026-6945-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48079000
_cell_length_b 6.88193000
_cell_length_c 7.12837000
_cell_angle_alpha 122.16831000
_cell_angle_beta 85.91704000
_cell_angle_gamma 92.24989000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 102.75595015
_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 0.59799105 0.35224806 0.78917973 1
C C1 1 0.14205190 0.66089497 0.77088004 1
C C2 1 0.74655333 0.72261884 0.49618597 1
C C3 1 0.19738509 0.79333788 0.65195334 1
C C4 1 0.62727816 0.35994508 0.45754307 1
C C5 1 0.60653342 0.11155385 -0.02430306 1
C C6 1 0.55902847 0.50738553 0.03595625 1
C C7 1 0.12802863 0.04930647 0.82224146 1
C C8 1 0.60010363 0.36409126 0.12920508 1
C C9 1 0.59661366 -0.02683271 0.09717761 1
C C10 1 0.57185308 0.11570572 0.35764315 1
C C11 1 1.04387993 0.66699869 0.11713235 1
C C12 1 0.09811340 0.81931097 0.02028792 1
C C13 1 1.09811504 0.19762720 0.71073088 1
C C14 1 1.06198687 1.05544877 0.45137770 1
C C15 1 0.67622344 0.47086926 0.34929294 1
C C16 1 0.95572174 0.81400994 0.35819831 1
C C17 1 0.63651856 0.50544311 0.69768856 1
| -154.235408 |
9,918 | C-141033-8048-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25728000
_cell_length_b 4.59824000
_cell_length_c 3.98264000
_cell_angle_alpha 60.32364000
_cell_angle_beta 82.31593000
_cell_angle_gamma 58.59252000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.99528955
_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 0.22192714 0.30841397 0.67940490 1
C C1 1 0.35126219 0.82448861 0.32399251 1
C C2 1 1.00004255 0.82453240 0.89866640 1
C C3 1 0.61257871 -0.06172317 0.74067876 1
C C4 1 0.30095837 0.57396504 0.73652387 1
C C5 1 0.64051920 0.58775988 0.15128920 1
C C6 1 0.94757872 0.58767236 0.30848764 1
C C7 1 0.64537076 0.30824760 1.05971687 1
C C8 1 0.62493186 0.93814674 0.36837633 1
C C9 1 0.03585270 0.10395738 0.97177363 1
| -154.0804 |
3,833 | C-106861-4375-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50713000
_cell_length_b 3.41850000
_cell_length_c 6.36093000
_cell_angle_alpha 81.81250000
_cell_angle_beta 89.97270000
_cell_angle_gamma 68.50617000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 50.12963767
_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 0.36175922 0.90358723 0.70952283 1
C C1 1 -0.03481939 0.69545527 0.81395548 1
C C2 1 0.80106593 1.02312748 -0.02221632 1
C C3 1 0.30112519 1.02323346 0.47780091 1
C C4 1 0.86181848 0.90369320 0.20954006 1
C C5 1 0.46525261 0.69559501 0.31400554 1
C C6 1 1.19763181 0.23122567 0.87331821 1
C C7 1 0.69770380 0.23136541 0.37336827 1
| -154.125066 |
7,712 | C-106865-3848-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37122000
_cell_length_b 3.37572000
_cell_length_c 6.86656000
_cell_angle_alpha 90.00752000
_cell_angle_beta 60.60956000
_cell_angle_gamma 90.00225000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.08607543
_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 0.94478971 0.85667413 0.91277433 1
C C1 1 0.27935386 0.52211832 0.91268870 1
C C2 1 0.72673188 0.02201165 0.63077272 1
C C3 1 1.06121084 0.35651380 0.63071837 1
C C4 1 0.56152461 1.02200666 0.13076713 1
C C5 1 -0.22014028 0.85656054 0.41264056 1
C C6 1 0.25297378 0.18935522 0.77182847 1
C C7 1 0.25355440 0.68939241 0.27174262 1
C C8 1 0.75309474 0.68936271 0.77175443 1
C C9 1 0.22703011 0.35666290 0.13069487 1
C C10 1 0.44513350 0.52185482 0.41272894 1
C C11 1 0.75347245 0.18940223 0.27180487 1
| -154.423882 |
5,380 | C-80178-6213-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49679000
_cell_length_b 6.16411000
_cell_length_c 6.11868000
_cell_angle_alpha 91.35267000
_cell_angle_beta 85.85390000
_cell_angle_gamma 97.52888000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 93.10379672
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.22976823 0.74700638 0.80375842 1
C C1 1 0.48765891 0.21258928 0.83471124 1
C C2 1 0.52977877 0.40750153 -0.01343949 1
C C3 1 0.35648960 0.30982515 0.21211241 1
C C4 1 0.75687120 0.79633630 0.24373632 1
C C5 1 -0.36212613 0.26058293 0.62283244 1
C C6 1 0.21362037 0.66377151 0.21043839 1
C C7 1 0.72112278 0.48893525 0.52558494 1
C C8 1 0.80838453 -0.01868696 0.08327408 1
C C9 1 0.80655129 0.17464671 0.23945687 1
C C10 1 0.75457412 0.87962562 0.47486314 1
C C11 1 0.74426246 0.71718804 0.65675714 1
C C12 1 -0.27635299 0.09756883 0.46792737 1
C C13 1 1.25021713 0.48955514 0.37704173 1
C C14 1 1.11847033 0.55917386 0.98167881 1
C C15 1 0.33348710 -0.01867889 0.93542208 1
| -154.116997 |
3,044 | C-72712-3931-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57457000
_cell_length_b 4.20609000
_cell_length_c 4.59602000
_cell_angle_alpha 97.32729000
_cell_angle_beta 89.01553000
_cell_angle_gamma 126.02920000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 70.74805712
_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 0.99734105 0.06027043 1.04795963 1
C C1 1 0.39615843 0.25947430 0.64679199 1
C C2 1 0.79125752 0.12231555 0.24336512 1
C C3 1 0.19765011 0.66069457 -0.15174085 1
C C4 1 0.79474829 0.45827545 0.24553355 1
C C5 1 0.59082498 0.52204502 0.44306583 1
C C6 1 -0.00622066 0.72420478 0.04575902 1
C C7 1 0.39295415 0.92342293 0.64488714 1
C C8 1 0.19441544 0.32470204 0.84632415 1
C C9 1 0.59412328 0.85803592 0.44501152 1
| -154.437808 |
4,074 | C-76026-3583-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49381000
_cell_length_b 3.42993000
_cell_length_c 6.51368000
_cell_angle_alpha 97.71658000
_cell_angle_beta 82.61122000
_cell_angle_gamma 91.01000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 76.70769507
_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 0.22845976 0.56015142 0.34639111 1
C C1 1 0.79375902 1.01824495 0.55294128 1
C C2 1 -0.13337009 0.42343857 0.88380577 1
C C3 1 0.17848177 0.61716298 0.00019252 1
C C4 1 0.54503615 0.75070301 0.88269221 1
C C5 1 0.30112238 0.50256191 0.55624058 1
C C6 1 0.96786045 0.84976153 0.34558036 1
C C7 1 0.67411760 0.12103730 1.01921727 1
C C8 1 0.51261579 0.78604469 0.66270811 1
C C9 1 -0.00555098 0.98246024 0.13609118 1
C C10 1 0.29886406 0.31810825 0.13643842 1
C C11 1 0.01395169 0.27714806 0.66677509 1
| -154.106719 |
9,344 | C-193944-7687-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52094000
_cell_length_b 4.64839000
_cell_length_c 6.47462000
_cell_angle_alpha 52.15214000
_cell_angle_beta 93.87169000
_cell_angle_gamma 104.44847000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.65223010
_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 0.64836975 0.76554668 -0.01779732 1
C C1 1 0.91734592 0.13167408 0.18219368 1
C C2 1 0.45309960 0.74365056 0.60829240 1
C C3 1 0.33465032 -0.10294600 0.33299325 1
C C4 1 0.46083884 0.35018156 0.76439053 1
C C5 1 0.52161752 0.31235942 0.55083867 1
C C6 1 0.88585993 0.15494139 -0.06647982 1
C C7 1 0.06586403 0.53094425 0.13306144 1
C C8 1 0.52897542 0.91883082 0.70698255 1
C C9 1 0.09723147 0.50777375 0.38168323 1
| -154.133074 |
1,587 | C-148228-7950-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38899000
_cell_length_b 3.35825000
_cell_length_c 4.59053000
_cell_angle_alpha 68.45130000
_cell_angle_beta 90.95270000
_cell_angle_gamma 92.12081000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.55998604
_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 0.58701274 0.84695956 0.87541175 1
C C1 1 0.72986097 0.73466264 0.39893526 1
C C2 1 0.25264254 0.10940569 0.68470509 1
C C3 1 0.08692135 0.33496752 0.89769204 1
C C4 1 0.74066203 0.07637259 0.07992908 1
C C5 1 0.43239599 0.41279601 0.07966676 1
C C6 1 0.91843494 0.77412854 0.68507435 1
C C7 1 0.44051265 0.43521665 0.39868966 1
| -154.198929 |
9,416 | C-41306-4542-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44957000
_cell_length_b 2.54470000
_cell_length_c 6.95643000
_cell_angle_alpha 79.06424000
_cell_angle_beta 111.91164000
_cell_angle_gamma 94.90591000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.49416310
_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 0.54917373 1.00120091 0.26029438 1
C C1 1 0.77815086 0.89257981 0.48994231 1
C C2 1 0.38606867 0.83202117 0.59744698 1
C C3 1 0.21978587 0.65045928 0.92692302 1
C C4 1 0.44940077 0.54630812 0.15655100 1
C C5 1 0.61159490 0.70832051 0.81938581 1
| -154.070654 |
3,777 | C-177224-1603-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.58269000
_cell_length_b 4.81156000
_cell_length_c 6.67201000
_cell_angle_alpha 112.88863000
_cell_angle_beta 114.92284000
_cell_angle_gamma 74.08515000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.66373615
_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 0.27627464 0.64169403 0.73824277 1
C C1 1 0.08732348 0.35596831 0.92948227 1
C C2 1 0.70167977 0.68819273 0.24711614 1
C C3 1 0.47355872 0.16303184 0.07710934 1
C C4 1 0.47453500 0.23661405 0.31635256 1
C C5 1 1.06068963 0.66904875 0.09893009 1
C C6 1 0.44602085 0.33690654 0.78109267 1
C C7 1 0.67478340 0.86182532 0.95137864 1
C C8 1 0.75161054 -0.00605986 0.43918620 1
C C9 1 0.87208586 0.38394629 0.29069756 1
C C10 1 0.67362350 0.78792358 0.71185862 1
C C11 1 0.39645749 0.03024083 0.58890143 1
| -154.12185 |
4,874 | C-50200-5755-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46231000
_cell_length_b 5.03317000
_cell_length_c 9.78950000
_cell_angle_alpha 91.77647000
_cell_angle_beta 80.41933000
_cell_angle_gamma 89.36100000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 119.55740825
_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 0.08540518 0.52067336 0.61519270 1
C C1 1 1.09913893 1.01371900 0.59525027 1
C C2 1 0.37771915 0.71695196 0.20076906 1
C C3 1 0.01248927 0.25778989 0.69099033 1
C C4 1 0.35256939 0.21141752 0.20467241 1
C C5 1 0.71160082 0.75029817 0.42449372 1
C C6 1 1.05211672 0.78914708 0.70312897 1
C C7 1 0.82370669 0.73047957 0.27192225 1
C C8 1 0.00954315 0.46411337 1.02724997 1
C C9 1 0.71185639 0.26139904 0.42348326 1
C C10 1 0.64707443 0.51622574 0.51835647 1
C C11 1 0.45115927 0.19881356 0.77552954 1
C C12 1 0.16085579 0.27255143 0.91298479 1
C C13 1 0.50409843 0.86800295 0.95351569 1
C C14 1 1.26592599 0.25445968 0.34054132 1
C C15 1 0.90416140 0.21501228 0.12344324 1
C C16 1 -0.00923392 0.03421225 0.98999009 1
C C17 1 0.48128230 0.63454778 1.04871543 1
C C18 1 0.51242461 0.87053581 0.78835946 1
C C19 1 0.65684110 0.00617796 0.50634614 1
| -154.077374 |
1,071 | C-172931-4656-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46602000
_cell_length_b 6.39204000
_cell_length_c 8.79241000
_cell_angle_alpha 67.88523000
_cell_angle_beta 81.68077000
_cell_angle_gamma 91.95604000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C22
_cell_volume 126.45179996
_cell_formula_units_Z 22
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.32267130 0.48430565 0.06991640 1
C C1 1 0.46746504 0.10148175 0.80241625 1
C C2 1 0.26082381 0.02884308 0.19995039 1
C C3 1 0.27807901 0.83245473 0.14906993 1
C C4 1 1.17577957 0.62968308 0.30546474 1
C C5 1 0.51354565 0.39194757 0.54479082 1
C C6 1 0.55832080 0.80028683 0.67341090 1
C C7 1 0.61551395 0.83547647 0.47130137 1
C C8 1 0.20995273 0.43473221 0.25067150 1
C C9 1 -0.16578986 0.82958518 1.04465085 1
C C10 1 0.61612059 0.62673302 0.41295510 1
C C11 1 -0.09009496 0.05158714 0.90757947 1
C C12 1 0.87459827 0.63043370 -0.01687955 1
C C13 1 -0.00183532 0.67441561 0.77761242 1
C C14 1 0.33035186 0.25363603 0.05609330 1
C C15 1 0.88012700 0.24966668 0.95944662 1
C C16 1 0.16023190 -0.01340062 0.37972058 1
C C17 1 1.12013318 0.21834206 0.37838285 1
C C18 1 0.64401107 0.03189250 0.66578944 1
C C19 1 0.95644891 0.24147202 0.53305430 1
C C20 1 0.96923202 0.43348851 0.78669368 1
C C21 1 0.49091680 0.36429757 0.71909963 1
| -154.104333 |
9,834 | C-41298-1814-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48447000
_cell_length_b 4.59445000
_cell_length_c 5.48684000
_cell_angle_alpha 69.55916000
_cell_angle_beta 90.01903000
_cell_angle_gamma 105.67634000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.19663085
_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 0.43294327 0.57756178 0.50671314 1
C C1 1 0.88797484 0.49363706 0.90432395 1
C C2 1 0.17196901 0.05948239 0.26882226 1
C C3 1 1.07953867 0.87757692 0.83924612 1
C C4 1 0.33942405 0.39519475 0.07870908 1
C C5 1 0.45484395 0.62659199 0.22206252 1
C C6 1 1.05478671 0.82850697 1.12470104 1
C C7 1 0.66200075 0.04180000 0.69136461 1
C C8 1 -0.14928343 0.41327445 0.65435936 1
C C9 1 0.62268868 -0.03923412 0.44260651 1
| -154.380302 |
7,193 | C-13911-8164-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43205000
_cell_length_b 3.98989000
_cell_length_c 4.63986000
_cell_angle_alpha 95.92531000
_cell_angle_beta 105.27732000
_cell_angle_gamma 89.81014000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.18692025
_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 0.72302412 0.93452797 0.49277506 1
C C1 1 0.94496418 0.48831801 -0.06337775 1
C C2 1 0.61214940 1.15806217 0.27182212 1
C C3 1 0.05689251 0.27008901 0.16091310 1
C C4 1 0.27837989 0.82263529 0.60375106 1
C C5 1 0.38998169 0.60121445 0.82596820 1
| -154.462611 |
2,802 | C-80205-231-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44794000
_cell_length_b 3.37187000
_cell_length_c 7.58291000
_cell_angle_alpha 102.52275000
_cell_angle_beta 99.28425000
_cell_angle_gamma 68.84767000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.74678309
_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 0.38028114 0.64298504 0.06257936 1
C C1 1 1.02038364 0.64449484 0.34509723 1
C C2 1 0.63043352 0.70747035 0.63376777 1
C C3 1 0.56298733 0.64776801 0.43676051 1
C C4 1 0.07295173 0.91521773 0.72596236 1
C C5 1 0.92608112 0.64271283 0.15405548 1
C C6 1 0.30822000 0.58693028 0.86559251 1
C C7 1 0.86577691 0.37934553 0.77331358 1
| -154.192424 |
4,583 | C-96672-9795-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.78063000
_cell_length_b 5.25735000
_cell_length_c 4.19805000
_cell_angle_alpha 65.56045000
_cell_angle_beta 91.47694000
_cell_angle_gamma 127.33925000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.21691960
_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 0.86852568 0.77059498 0.08452783 1
C C1 1 0.53555769 0.43733359 0.41740525 1
C C2 1 0.53562096 0.43717342 0.75114412 1
C C3 1 0.20131322 0.10400074 0.41776122 1
C C4 1 0.86834523 0.77073935 0.75063864 1
C C5 1 0.20124995 1.10416091 0.08402235 1
| -154.328457 |
4,740 | C-72752-8394-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48510000
_cell_length_b 3.45224000
_cell_length_c 5.85917000
_cell_angle_alpha 83.30414000
_cell_angle_beta 62.80110000
_cell_angle_gamma 91.88679000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 61.97416488
_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 0.31916299 0.15923392 0.40259221 1
C C1 1 0.21011581 0.00268415 0.66709035 1
C C2 1 0.53921367 0.68409147 0.65835218 1
C C3 1 0.79216491 0.43090409 -0.02251406 1
C C4 1 0.66362863 0.44407212 0.25606143 1
C C5 1 0.47132748 0.11139429 0.97742587 1
C C6 1 0.75332215 0.80526906 0.81935131 1
C C7 1 -0.16888820 0.67463472 0.37508985 1
C C8 1 1.18053233 -0.03791730 0.25600737 1
C C9 1 0.25474983 0.30750227 0.82051989 1
| -154.258042 |
6,523 | C-90835-6350-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42972000
_cell_length_b 5.44662000
_cell_length_c 4.81847000
_cell_angle_alpha 77.51378000
_cell_angle_beta 75.37210000
_cell_angle_gamma 47.99518000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.74932318
_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 -0.02274033 0.40932846 0.14224259 1
C C1 1 0.44712092 0.77412966 0.11300824 1
C C2 1 0.78732906 0.35609948 0.68273554 1
C C3 1 0.87692728 0.88137164 0.92954761 1
C C4 1 1.04646327 0.94724696 0.39443540 1
C C5 1 0.35711564 0.24875259 0.86633748 1
C C6 1 0.25560890 0.72076412 0.65353782 1
C C7 1 0.18840856 0.18303579 0.40121171 1
| -154.23948 |
1,562 | C-152573-9805-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46245000
_cell_length_b 3.39416000
_cell_length_c 5.29972000
_cell_angle_alpha 94.58149000
_cell_angle_beta 90.00198000
_cell_angle_gamma 111.15874000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.15676327
_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 0.43834077 0.53515424 0.71142574 1
C C1 1 0.03350544 0.72686958 0.83693766 1
C C2 1 0.57613069 0.81937144 0.23953975 1
C C3 1 0.61356270 0.88796889 0.51504252 1
C C4 1 0.20914091 0.07972022 0.64172584 1
C C5 1 0.06218359 -0.20845487 0.11275229 1
| -154.16169 |
7,866 | C-193913-8104-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48609000
_cell_length_b 3.97275000
_cell_length_c 8.36809000
_cell_angle_alpha 86.51293000
_cell_angle_beta 98.44409000
_cell_angle_gamma 90.00508000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 81.59782226
_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 0.39174435 0.70566354 0.65409102 1
C C1 1 0.11807460 0.42434590 0.09535188 1
C C2 1 0.70939985 -0.26491056 0.28306540 1
C C3 1 0.61983159 0.64636823 0.09915004 1
C C4 1 0.74021010 0.38579732 0.34557187 1
C C5 1 0.96141081 0.18683252 0.78812656 1
C C6 1 0.46116098 0.95903433 0.78764579 1
C C7 1 0.89253202 0.47373353 0.65587472 1
C C8 1 0.20235969 0.25780107 0.26691701 1
C C9 1 0.32174619 0.99041935 0.51312751 1
C C10 1 0.55678206 0.94052522 -0.02010708 1
C C11 1 1.05528118 0.16204059 0.97679556 1
C C12 1 0.23211580 0.90706166 0.33062645 1
C C13 1 0.82342248 0.22743222 0.51605478 1
| -154.253935 |
5,001 | C-57200-7127-57 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45363000
_cell_length_b 7.68097000
_cell_length_c 7.60224000
_cell_angle_alpha 53.95445000
_cell_angle_beta 100.02824000
_cell_angle_gamma 87.43892000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 112.10894896
_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 -0.02154695 0.77687263 0.53405444 1
C C1 1 0.52753488 0.09187056 0.62760842 1
C C2 1 0.29185301 0.36227212 0.24640559 1
C C3 1 1.13087219 0.73799930 0.22704056 1
C C4 1 0.62443327 0.85917898 0.81501781 1
C C5 1 0.96468127 -0.02918346 1.07452325 1
C C6 1 0.38043323 0.07607728 0.98073191 1
C C7 1 0.54016435 0.64960115 0.62311029 1
C C8 1 -0.10001872 0.99878113 0.41032454 1
C C9 1 0.38335516 0.11094719 0.39653565 1
C C10 1 0.81393991 0.40834823 0.33474527 1
C C11 1 0.68398822 0.63020413 0.27073678 1
C C12 1 0.17583708 0.74798470 0.87969224 1
C C13 1 0.00582443 0.22382754 0.59367329 1
C C14 1 0.63232669 0.40862627 0.74012290 1
C C15 1 0.22009341 0.50293793 -0.01401013 1
C C16 1 0.67989707 0.47927637 -0.11227095 1
C C17 1 1.15617400 0.29095765 0.75314742 1
| -154.128885 |
9,378 | C-172959-2703-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45178000
_cell_length_b 3.33941000
_cell_length_c 9.43582000
_cell_angle_alpha 96.12357000
_cell_angle_beta 97.27710000
_cell_angle_gamma 111.91905000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 70.09179645
_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 0.74256161 0.53056547 0.48036744 1
C C1 1 0.10678930 -0.03586153 0.76827848 1
C C2 1 0.93917615 1.13853319 0.25603852 1
C C3 1 0.03993822 0.45414979 0.13995451 1
C C4 1 1.28582456 1.17491245 0.91547107 1
C C5 1 0.58147750 0.35315034 0.32668614 1
C C6 1 0.33221157 0.63798798 0.55072639 1
C C7 1 -0.48576870 -0.14814170 0.69771649 1
C C8 1 0.87443170 0.27946327 0.98607120 1
C C9 1 0.68343649 0.66887794 0.21068525 1
| -154.244004 |
3,292 | C-193922-5339-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34988000
_cell_length_b 3.85411000
_cell_length_c 5.49006000
_cell_angle_alpha 114.46461000
_cell_angle_beta 107.26268000
_cell_angle_gamma 100.31399000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.77441114
_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 0.50948197 0.18756168 0.35099294 1
C C1 1 0.10898601 1.07368644 0.62637051 1
C C2 1 1.05364424 0.07165212 0.09201217 1
C C3 1 0.45220001 0.43673132 0.62882914 1
C C4 1 0.61950907 0.87066405 0.39713563 1
C C5 1 0.60912289 0.54494931 1.11954851 1
C C6 1 0.28039070 0.71141722 0.51754956 1
C C7 1 0.13516336 0.30033420 -0.07280999 1
C C8 1 0.83243996 0.61099788 0.93174428 1
C C9 1 0.85039648 0.35443517 0.26402995 1
| -154.151046 |
8,715 | C-193952-2283-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74122000
_cell_length_b 2.48339000
_cell_length_c 3.84383000
_cell_angle_alpha 90.01593000
_cell_angle_beta 90.03907000
_cell_angle_gamma 89.99816000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.71266249
_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 0.41700290 0.16300784 0.60517438 1
C C1 1 0.14943629 0.16312330 0.89976289 1
C C2 1 0.41737578 0.16331173 0.19432069 1
C C3 1 0.65289027 0.66299840 0.60550920 1
C C4 1 0.92083527 0.66312800 0.90007262 1
C C5 1 0.65328737 0.66329922 0.19468431 1
| -154.153481 |
1,632 | C-189703-1540-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42987000
_cell_length_b 2.42993000
_cell_length_c 8.45728000
_cell_angle_alpha 82.80277000
_cell_angle_beta 82.11691000
_cell_angle_gamma 59.99673000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.74146022
_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 0.31079135 0.04833316 0.57376670 1
C C1 1 0.45932870 0.12772742 0.24744669 1
C C2 1 0.55547449 0.22211640 0.91421385 1
C C3 1 0.22228131 0.88909314 0.91367580 1
C C4 1 0.97739034 0.71501132 0.57391732 1
C C5 1 0.79272591 0.46123945 0.24734734 1
| -154.456597 |
2,536 | C-170360-9481-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.40702000
_cell_length_b 3.88611000
_cell_length_c 4.66347000
_cell_angle_alpha 83.34609000
_cell_angle_beta 74.43449000
_cell_angle_gamma 71.16781000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.26700353
_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 0.53167782 0.92996491 0.23363575 1
C C1 1 0.48560242 0.60239972 0.09897502 1
C C2 1 0.07316195 0.19040965 0.30272400 1
C C3 1 0.71964188 0.78718809 0.51080135 1
C C4 1 0.37702374 0.70160540 0.78850060 1
C C5 1 0.06026497 0.09605920 0.79616246 1
C C6 1 0.80359107 0.20801914 0.09217021 1
C C7 1 0.14349342 0.51636903 0.37723495 1
C C8 1 0.33250812 0.37365193 0.65294302 1
C C9 1 0.79130741 0.11275632 0.58529025 1
| -154.191697 |
1,303 | C-80153-8379-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.43397000
_cell_length_b 3.43609000
_cell_length_c 4.91727000
_cell_angle_alpha 123.25575000
_cell_angle_beta 100.95621000
_cell_angle_gamma 86.82381000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.55029914
_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 0.38821164 0.56109148 0.43452673 1
C C1 1 0.71152064 0.32447173 1.00160229 1
C C2 1 0.08284767 0.63398472 0.20239452 1
C C3 1 0.37422623 0.67320220 1.01313067 1
C C4 1 0.90932757 0.08174509 0.43426560 1
C C5 1 0.61773682 0.04209427 0.62375807 1
C C6 1 0.28015775 0.39112251 0.63540494 1
C C7 1 0.60305187 1.15418271 0.20210427 1
| -154.179771 |
2,226 | C-134173-4385-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42764000
_cell_length_b 4.20551000
_cell_length_c 5.93503000
_cell_angle_alpha 79.86626000
_cell_angle_beta 102.20557000
_cell_angle_gamma 90.01054000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.25671792
_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 0.18888383 0.81024919 0.88449073 1
C C1 1 0.69576910 0.64464417 0.38367229 1
C C2 1 1.19611738 0.81093002 0.38410860 1
C C3 1 0.68883193 0.31026056 0.88447071 1
C C4 1 0.68829444 0.64408065 0.88363923 1
C C5 1 0.19583497 0.14463277 0.38371244 1
C C6 1 0.18828408 0.14406000 0.88370617 1
C C7 1 0.69617467 0.31092335 0.38413113 1
| -154.433214 |
10,124 | C-193948-359-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.23090000
_cell_length_b 3.20739000
_cell_length_c 5.18977000
_cell_angle_alpha 65.11574000
_cell_angle_beta 114.91965000
_cell_angle_gamma 110.92636000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.17478973
_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 0.80941167 0.34794079 0.88959640 1
C C1 1 0.65615310 0.50083432 0.58279377 1
C C2 1 0.21578134 0.55899709 0.08373888 1
C C3 1 0.25028112 0.28931337 0.38854771 1
C C4 1 0.59756660 0.94258240 0.08372880 1
C C5 1 0.86687978 0.90722793 0.38825644 1
| -154.135986 |
1,249 | C-157705-2959-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48122000
_cell_length_b 3.68908000
_cell_length_c 4.84182000
_cell_angle_alpha 57.42472000
_cell_angle_beta 75.24188000
_cell_angle_gamma 70.37038000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.02398495
_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 1.11041733 0.77330987 0.35932315 1
C C1 1 0.68876279 0.48551608 0.49036827 1
C C2 1 0.64970585 0.19080184 -0.14455878 1
C C3 1 0.91007294 0.24677663 0.28401192 1
C C4 1 0.22810376 0.90317952 0.98628351 1
C C5 1 0.42948443 0.42939366 1.06229035 1
| -154.312645 |
4,276 | C-177240-673-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43147000
_cell_length_b 3.86331000
_cell_length_c 6.85128000
_cell_angle_alpha 73.74812000
_cell_angle_beta 110.85214000
_cell_angle_gamma 90.16718000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.40273831
_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 1.00997114 -0.06700456 0.48452250 1
C C1 1 0.25998650 0.68303089 0.23451349 1
C C2 1 0.59127343 1.01940681 0.56654143 1
C C3 1 0.84121543 -0.23059648 0.31653533 1
C C4 1 0.50992850 0.43302760 0.98450739 1
C C5 1 0.75993516 1.18301690 0.73451080 1
C C6 1 0.09123080 0.51943897 0.06652632 1
C C7 1 0.34126677 0.26941751 0.81653803 1
| -154.463409 |
8,294 | C-72748-2386-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48115000
_cell_length_b 4.84298000
_cell_length_c 3.68962000
_cell_angle_alpha 57.37408000
_cell_angle_beta 109.64242000
_cell_angle_gamma 104.86042000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00802539
_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 0.74703853 0.98908158 0.20253670 1
C C1 1 0.48844977 0.41756900 0.25840628 1
C C2 1 0.29091322 0.49294643 0.78556505 1
C C3 1 0.71252743 0.62400229 0.49772885 1
C C4 1 0.16897555 0.12006794 -0.08507354 1
C C5 1 0.96890331 0.19546106 0.44147346 1
| -154.311266 |
7,179 | C-102918-9583-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45932000
_cell_length_b 6.67918000
_cell_length_c 4.54459000
_cell_angle_alpha 105.82312000
_cell_angle_beta 74.25334000
_cell_angle_gamma 90.05021000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.91062202
_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 0.82888240 0.16703506 0.30509409 1
C C1 1 0.18219775 0.64492930 0.60577991 1
C C2 1 0.66002122 0.96030159 0.64290922 1
C C3 1 0.36882067 0.60627890 0.23049457 1
C C4 1 0.83657099 0.94163566 0.29240900 1
C C5 1 -0.05569229 0.48628062 0.07906863 1
C C6 1 0.56230031 0.17659658 0.83481350 1
C C7 1 0.67481089 0.31358222 0.61578372 1
C C8 1 -0.03967723 0.24886624 1.04013821 1
C C9 1 0.41695571 0.81567516 0.13241236 1
C C10 1 0.60694008 0.77256888 0.75675382 1
C C11 1 1.12798861 0.45067461 0.71046917 1
| -154.244588 |
1,929 | C-73651-4102-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.01289000
_cell_length_b 3.75740000
_cell_length_c 7.16152000
_cell_angle_alpha 119.54905000
_cell_angle_beta 61.54061000
_cell_angle_gamma 87.90832000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.96636521
_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 0.28298703 0.48295608 0.02981740 1
C C1 1 0.49990569 0.55636072 0.41676377 1
C C2 1 0.98725257 0.31916041 0.17994135 1
C C3 1 0.74413840 0.75644856 0.79881833 1
C C4 1 0.20507142 1.02098710 0.56714306 1
C C5 1 0.28295397 0.85494667 0.02984676 1
C C6 1 0.74364873 0.11922733 0.79807586 1
C C7 1 0.20501248 0.39276213 0.56719788 1
| -154.094194 |
2,908 | C-193960-2739-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44255000
_cell_length_b 5.71784000
_cell_length_c 4.79357000
_cell_angle_alpha 98.39399000
_cell_angle_beta 90.12450000
_cell_angle_gamma 102.13515000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 64.71302501
_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 0.48523946 0.71616696 0.98767673 1
C C1 1 0.27727361 0.28809597 0.24981965 1
C C2 1 0.07246044 0.88574271 0.41221767 1
C C3 1 1.04760431 0.84000160 0.09588507 1
C C4 1 0.60204781 0.93995874 0.54958363 1
C C5 1 0.38275608 0.51156109 0.80992074 1
C C6 1 0.82176532 0.38734424 0.70265204 1
C C7 1 -0.30496443 0.12292103 0.81062584 1
C C8 1 0.80261096 0.34229988 0.38680798 1
C C9 1 0.18710314 0.10560098 -0.01198406 1
| -154.171778 |
1,941 | C-92126-8113-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48175000
_cell_length_b 3.68817000
_cell_length_c 4.89562000
_cell_angle_alpha 66.93831000
_cell_angle_beta 59.53411000
_cell_angle_gamma 70.33852000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.99568394
_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 0.41258385 0.78108388 0.64978931 1
C C1 1 0.39627720 0.22691465 0.44332560 1
C C2 1 0.71105862 0.74170155 0.87180857 1
C C3 1 0.43735489 0.13902754 -0.05248194 1
C C4 1 0.68781732 0.38318629 0.57410664 1
C C5 1 -0.27264468 0.29632919 0.07832142 1
| -154.310043 |
4,003 | C-40140-2962-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44991000
_cell_length_b 4.90391000
_cell_length_c 5.44996000
_cell_angle_alpha 116.74446000
_cell_angle_beta 90.03645000
_cell_angle_gamma 90.00503000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.47203273
_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 0.99210486 0.16915240 0.21102274 1
C C1 1 0.49350229 0.19352331 0.58706135 1
C C2 1 0.99311215 0.03724249 0.41651724 1
C C3 1 0.99332304 0.50610999 0.41676093 1
C C4 1 -0.50825192 0.59744232 1.06736178 1
C C5 1 0.49156196 0.26568948 0.87908634 1
C C6 1 0.99260368 0.69387180 0.26112192 1
C C7 1 0.49130679 1.07468744 1.02233884 1
C C8 1 0.49368123 0.51999953 0.58712257 1
C C9 1 0.49191911 0.74027074 0.87870458 1
| -154.213507 |
9,239 | C-150729-2084-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47636000
_cell_length_b 4.34927000
_cell_length_c 11.89752000
_cell_angle_alpha 93.31252000
_cell_angle_beta 90.02169000
_cell_angle_gamma 89.96718000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 127.92642870
_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 1.07061899 0.51868248 0.74671130 1
C C1 1 0.57204083 0.84869041 0.15601927 1
C C2 1 0.57086184 0.53881352 0.81012090 1
C C3 1 0.07066754 0.46818065 0.63427557 1
C C4 1 0.57265699 0.11039038 0.23508798 1
C C5 1 0.07265340 0.09372853 0.30814008 1
C C6 1 0.57316296 0.36290306 0.16295495 1
C C7 1 0.07169322 -0.11399432 -0.03059907 1
C C8 1 0.07190475 0.38900427 0.39433971 1
C C9 1 0.07245755 0.25264332 0.97203594 1
C C10 1 0.07290101 0.40637920 0.09226166 1
C C11 1 0.07190889 0.77314125 0.08899582 1
C C12 1 0.57157517 0.73711571 0.91981224 1
C C13 1 0.57289484 0.62841349 0.24320591 1
C C14 1 0.57071495 0.44081535 0.57335220 1
C C15 1 0.57172729 0.39881343 0.46079087 1
C C16 1 1.07288126 0.67402319 0.31252598 1
C C17 1 0.57214180 0.38585498 0.92247799 1
| -154.122559 |
5,995 | C-136221-5891-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51787000
_cell_length_b 2.48796000
_cell_length_c 4.30489000
_cell_angle_alpha 106.78553000
_cell_angle_beta 114.11326000
_cell_angle_gamma 90.00802000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.62253332
_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 0.97467570 0.71558739 1.00826076 1
C C1 1 0.64134236 0.38225405 0.34159410 1
C C2 1 0.05824350 0.54898015 0.67514020 1
C C3 1 0.39157684 -0.11768652 0.34180687 1
C C4 1 0.72491017 0.21564681 0.00847354 1
C C5 1 0.30800903 0.04892072 0.67492743 1
| -154.55057 |
9,345 | C-172959-2703-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43784000
_cell_length_b 5.96781000
_cell_length_c 4.82530000
_cell_angle_alpha 106.94385000
_cell_angle_beta 82.89202000
_cell_angle_gamma 106.92419000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 64.18736977
_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 0.90643687 0.36130589 0.84061156 1
C C1 1 0.45566162 0.45756324 0.95483623 1
C C2 1 0.17756122 0.01259375 0.53576867 1
C C3 1 -0.03486329 0.92038291 0.81440119 1
C C4 1 0.39814556 0.89968679 0.95330200 1
C C5 1 0.59359947 0.66035941 0.21877971 1
C C6 1 0.78154984 0.17050562 0.56558881 1
C C7 1 0.47470976 0.47396370 0.37967645 1
C C8 1 0.19990875 0.81711365 0.23731021 1
C C9 1 -0.10251791 0.37037624 0.42522927 1
| -154.109286 |
3,271 | C-194789-8947-56 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47271000
_cell_length_b 6.12483000
_cell_length_c 7.34855000
_cell_angle_alpha 104.61589000
_cell_angle_beta 99.74251000
_cell_angle_gamma 89.97609000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 106.03424449
_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 0.63535172 0.66001760 0.17614416 1
C C1 1 -0.26364463 1.00996817 0.37938477 1
C C2 1 0.96516425 0.52584895 0.83465639 1
C C3 1 0.40586103 0.45966700 0.71729924 1
C C4 1 0.00646876 0.77603173 0.91491480 1
C C5 1 0.66895828 0.29299653 0.24129092 1
C C6 1 0.93860442 0.13877619 0.77340401 1
C C7 1 1.03110980 0.35681044 -0.04088347 1
C C8 1 0.92647012 0.88332399 0.75034433 1
C C9 1 -0.27134040 0.77329999 0.36894865 1
C C10 1 0.31652507 0.55005860 0.54255547 1
C C11 1 0.23357486 0.34209474 0.37346268 1
C C12 1 0.28103942 0.13608880 0.46524750 1
C C13 1 0.38770207 0.20621267 0.67584488 1
C C14 1 0.81983563 0.70186014 0.54985030 1
C C15 1 0.59443605 0.41061945 0.08594188 1
C C16 1 0.63881872 0.04243618 0.18686074 1
C C17 1 0.57079673 0.82582974 0.04675198 1
| -154.13495 |
8,842 | C-28254-7962-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45609000
_cell_length_b 6.27315000
_cell_length_c 6.60368000
_cell_angle_alpha 101.26268000
_cell_angle_beta 96.41437000
_cell_angle_gamma 105.04910000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 94.93624208
_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 0.52550256 0.58256617 0.03112413 1
C C1 1 0.91177807 0.66847195 0.71339910 1
C C2 1 1.21957794 0.61286071 0.38453821 1
C C3 1 0.29064142 0.11811007 0.60243933 1
C C4 1 0.77873073 0.14920031 0.28949695 1
C C5 1 0.64750073 0.57820881 0.26432533 1
C C6 1 1.03613206 0.65830161 0.94630855 1
C C7 1 0.72858341 1.02058133 0.89808511 1
C C8 1 0.13620189 0.88174958 0.89331982 1
C C9 1 0.42383744 0.36079224 0.08757030 1
C C10 1 0.79537423 0.10170593 0.70056288 1
C C11 1 0.83258287 0.22235571 0.08667709 1
C C12 1 0.28636446 0.13590818 0.38897309 1
C C13 1 0.34142119 0.63649480 0.59329902 1
| -154.153153 |
3,720 | C-53850-732-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43256000
_cell_length_b 4.04619000
_cell_length_c 4.59586000
_cell_angle_alpha 84.20090000
_cell_angle_beta 104.32974000
_cell_angle_gamma 91.26477000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.60332607
_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 0.19431951 0.01388806 0.89632884 1
C C1 1 0.86114974 0.34644055 0.22997379 1
C C2 1 0.74864395 0.12587814 1.00730734 1
C C3 1 0.08265380 0.79027077 0.67565258 1
C C4 1 0.41527075 0.45969315 0.34040659 1
C C5 1 0.52823475 0.67825854 0.56453246 1
| -154.468999 |
6,858 | C-13655-7913-58 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46920000
_cell_length_b 5.20325000
_cell_length_c 5.44358000
_cell_angle_alpha 95.45341000
_cell_angle_beta 97.46535000
_cell_angle_gamma 93.25793000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.86192579
_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 0.46902192 0.84356337 0.39790194 1
C C1 1 0.44336437 1.02716013 0.20448946 1
C C2 1 -0.08872922 0.46463406 0.17017558 1
C C3 1 0.36386069 0.83420750 -0.02503194 1
C C4 1 0.15724619 0.18874467 0.58618484 1
C C5 1 0.98297491 0.19257707 0.27102331 1
C C6 1 0.80914137 0.84662673 0.81848014 1
C C7 1 0.81333493 0.58842684 0.65440802 1
C C8 1 -0.07682180 0.67330568 0.39695167 1
C C9 1 0.29149859 0.44790650 0.72998451 1
C C10 1 0.65697101 0.03166557 0.62445223 1
C C11 1 0.37151754 0.52588649 1.01965554 1
| -154.161241 |
2,100 | C-142791-7919-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42581000
_cell_length_b 5.71750000
_cell_length_c 4.17970000
_cell_angle_alpha 106.75873000
_cell_angle_beta 90.27876000
_cell_angle_gamma 101.78177000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 54.21326653
_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 0.67386094 0.68739841 0.73412899 1
C C1 1 0.30306135 0.94266269 0.21703344 1
C C2 1 0.54323162 0.42384181 0.50716052 1
C C3 1 0.52550468 0.37794755 0.13944084 1
C C4 1 0.21805919 0.77627318 0.89151222 1
C C5 1 0.84880954 0.03153056 0.37428018 1
C C6 1 1.01009296 0.34608305 0.97165463 1
C C7 1 -0.01924099 0.29587854 0.60228429 1
| -154.164295 |
5,091 | C-80205-231-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45279000
_cell_length_b 6.17592000
_cell_length_c 4.73264000
_cell_angle_alpha 95.74899000
_cell_angle_beta 74.96109000
_cell_angle_gamma 89.99996000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.86226506
_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 0.30307967 0.11128999 0.25051703 1
C C1 1 1.16943274 0.54947374 0.52196907 1
C C2 1 -0.08995426 0.39197081 1.04043463 1
C C3 1 0.71480875 0.18591720 0.42618102 1
C C4 1 0.06709205 0.94116198 0.72198759 1
C C5 1 0.20138883 0.78019068 0.45967075 1
C C6 1 0.34453121 0.86814180 0.17477785 1
C C7 1 0.56866253 0.08934425 0.71809169 1
C C8 1 0.94082591 0.80611903 0.98253580 1
C C9 1 0.73470483 0.42944511 0.38956042 1
C C10 1 1.00355003 0.57600101 0.85633113 1
C C11 1 0.43572942 0.24593270 -0.01018967 1
| -154.273611 |
24 | C-53806-1811-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48789000
_cell_length_b 2.48879000
_cell_length_c 6.57767000
_cell_angle_alpha 79.05923000
_cell_angle_beta 67.73972000
_cell_angle_gamma 59.96682000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.63175033
_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 0.25516897 -0.12307676 0.07407118 1
C C1 1 0.58905730 0.54359205 0.40742656 1
C C2 1 0.00530324 0.87711908 0.32436281 1
C C3 1 0.92232959 0.21032914 0.74027373 1
C C4 1 0.67186850 1.21052288 0.99047548 1
C C5 1 0.33851559 0.54383960 0.65738744 1
| -154.545352 |
6,776 | C-130242-4586-60 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46901000
_cell_length_b 5.93928000
_cell_length_c 7.85987000
_cell_angle_alpha 89.20017000
_cell_angle_beta 86.38803000
_cell_angle_gamma 84.16754000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 114.43050969
_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 0.44498793 0.71038802 -0.00541963 1
C C1 1 0.30307318 0.67457883 0.36874079 1
C C2 1 0.38796195 0.41603262 0.35959811 1
C C3 1 -0.02775621 0.36588845 0.91751650 1
C C4 1 0.44401655 0.51029815 0.88574098 1
C C5 1 1.02941695 0.21526570 0.75507176 1
C C6 1 0.49771863 -0.04936245 0.91401586 1
C C7 1 0.95394985 0.23524717 0.09122795 1
C C8 1 0.79573953 0.91402631 0.58863617 1
C C9 1 0.40854271 0.54686363 0.68311425 1
C C10 1 1.33407839 0.76083039 0.57088953 1
C C11 1 0.58248074 0.06476628 0.74354996 1
C C12 1 0.44480324 0.24909555 0.20324279 1
C C13 1 0.77159137 0.77944066 0.28574632 1
C C14 1 -0.04861672 0.07871037 0.43643206 1
C C15 1 -0.09211400 0.76914962 0.09736838 1
C C16 1 0.96388184 0.00480643 1.01527203 1
C C17 1 -0.09131421 0.33404917 0.45640081 1
C C18 1 0.51716097 0.03521842 0.32783828 1
C C19 1 0.94241601 0.41114910 0.63455509 1
| -154.101628 |
4,552 | C-92148-9593-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46000000
_cell_length_b 3.39256000
_cell_length_c 6.02400000
_cell_angle_alpha 109.23606000
_cell_angle_beta 101.84782000
_cell_angle_gamma 111.14114000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.16460449
_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 0.02862095 0.71594852 0.27832470 1
C C1 1 0.27192087 0.92729962 0.55380025 1
C C2 1 0.49792895 0.78321015 0.15129955 1
C C3 1 0.65798783 0.17264464 0.08313097 1
C C4 1 0.88513245 0.02808999 0.68060137 1
C C5 1 0.12793065 0.23979629 0.95618705 1
| -154.155569 |
9,144 | C-148238-9656-59 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47362000
_cell_length_b 4.95963000
_cell_length_c 4.30715000
_cell_angle_alpha 89.94327000
_cell_angle_beta 89.96130000
_cell_angle_gamma 60.11977000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.81688362
_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 0.24665460 1.05982948 0.20893208 1
C C1 1 0.60843935 0.69829560 0.84853338 1
C C2 1 0.24652152 1.05980259 0.84853895 1
C C3 1 0.24634442 0.55988311 0.34858199 1
C C4 1 0.24658370 0.55975414 0.70897434 1
C C5 1 0.60850212 0.19838150 0.34848628 1
C C6 1 0.60843456 0.19837325 0.70891885 1
C C7 1 0.60826664 0.69845033 0.20896853 1
| -154.328056 |
8,484 | C-172945-2721-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45141000
_cell_length_b 3.48599000
_cell_length_c 5.86088000
_cell_angle_alpha 117.23565000
_cell_angle_beta 83.35171000
_cell_angle_gamma 88.11604000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 61.98109496
_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 0.57078086 0.68475970 0.13404446 1
C C1 1 0.26431994 0.72755256 -0.01934567 1
C C2 1 0.90075699 0.30487624 0.42584488 1
C C3 1 -0.11033407 0.01342213 0.14281268 1
C C4 1 0.41472500 0.79351678 0.39853514 1
C C5 1 0.13006845 1.13715051 0.54510059 1
C C6 1 0.61168823 0.65285386 0.54451073 1
C C7 1 1.14030811 0.26386777 0.82340544 1
C C8 1 0.76599695 0.22669295 0.98188722 1
C C9 1 0.46102464 0.94352271 0.82329774 1
| -154.259498 |
3,272 | C-90813-2847-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10695000
_cell_length_b 2.43292000
_cell_length_c 8.66528000
_cell_angle_alpha 81.85956000
_cell_angle_beta 105.42778000
_cell_angle_gamma 113.56129000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.83037839
_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 -0.02080691 0.23255646 0.85978446 1
C C1 1 0.90244234 0.73657100 0.77628134 1
C C2 1 0.23964168 0.73834693 0.10964248 1
C C3 1 0.68034154 1.25298627 0.52554209 1
C C4 1 0.75699879 0.74886106 0.60910304 1
C C5 1 0.51159724 0.25205030 0.35903250 1
C C6 1 0.42259296 0.74902212 0.27592793 1
C C7 1 0.14950847 0.23463785 0.02667446 1
| -154.448681 |
6,245 | C-157697-2818-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42992000
_cell_length_b 2.42955000
_cell_length_c 8.46462000
_cell_angle_alpha 93.09083000
_cell_angle_beta 85.63736000
_cell_angle_gamma 59.98912000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.90130326
_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 0.52906912 0.44527811 0.69887373 1
C C1 1 1.20143187 0.44631218 0.03366855 1
C C2 1 0.86788602 1.11242666 0.03337006 1
C C3 1 0.37880379 -0.08895597 0.36605014 1
C C4 1 0.04561445 0.57815846 0.36601781 1
C C5 1 -0.13698084 0.77869116 0.69856081 1
| -154.459602 |
8,500 | C-177280-5724-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43674000
_cell_length_b 6.10748000
_cell_length_c 7.27243000
_cell_angle_alpha 118.33259000
_cell_angle_beta 70.66164000
_cell_angle_gamma 112.92486000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 86.30090981
_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 0.79097442 0.25602920 0.18711299 1
C C1 1 0.23517569 0.31221846 0.29847329 1
C C2 1 0.12414087 0.42266330 0.52042197 1
C C3 1 0.45704863 0.58901381 0.85378783 1
C C4 1 0.45777406 1.08949272 0.85376311 1
C C5 1 -0.09880971 0.64517554 0.96518764 1
C C6 1 0.56865902 0.97915233 0.63179485 1
C C7 1 0.56821886 0.47874942 0.63180332 1
C C8 1 0.79051259 0.75585212 0.18714927 1
C C9 1 0.12442063 -0.07704713 0.52042558 1
C C10 1 0.90187233 0.14554366 0.96515024 1
C C11 1 1.23489971 0.81220227 0.29850213 1
| -154.454908 |
3,547 | C-56514-5809-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.08791000
_cell_length_b 3.63981000
_cell_length_c 10.22895000
_cell_angle_alpha 62.05233000
_cell_angle_beta 114.26640000
_cell_angle_gamma 115.30630000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 88.56183393
_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 1.02408909 0.41415765 0.72817022 1
C C1 1 0.36617969 0.93757167 0.32379252 1
C C2 1 0.92944259 0.74523163 0.22909220 1
C C3 1 0.40074759 0.87065211 0.97962048 1
C C4 1 0.16746057 0.03058415 0.82231984 1
C C5 1 -0.16496302 0.06364138 0.07447982 1
C C6 1 0.61034459 0.78331645 0.48056663 1
C C7 1 0.77405721 1.02754167 0.57357645 1
C C8 1 0.75949644 0.40296743 0.57425530 1
C C9 1 1.00688746 0.78893400 0.72869195 1
C C10 1 0.22569520 0.44087464 0.07374675 1
C C11 1 0.53992499 0.36725982 0.22958754 1
| -154.077399 |
5,428 | C-56505-7826-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56907000
_cell_length_b 6.01854000
_cell_length_c 4.72705000
_cell_angle_alpha 115.80650000
_cell_angle_beta 88.68918000
_cell_angle_gamma 126.79422000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 88.46551709
_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 0.19797753 0.35405461 0.18564949 1
C C1 1 -0.04767620 0.55186482 0.92027685 1
C C2 1 0.58535271 0.56512839 0.32016509 1
C C3 1 0.03728961 0.49808337 0.37962029 1
C C4 1 0.74631269 0.42143864 0.12675625 1
C C5 1 0.72602528 0.85394208 0.62313260 1
C C6 1 0.83169001 0.36839494 0.58689381 1
C C7 1 0.40323833 0.86480936 0.59177819 1
C C8 1 0.28933879 0.88505539 0.09589919 1
C C9 1 0.49461995 0.03510723 0.41062760 1
C C10 1 0.38012801 0.05480939 0.91427060 1
C C11 1 1.05715590 0.06537559 0.88269005 1
| -154.159351 |
5,296 | C-47656-5931-51 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48692000
_cell_length_b 4.83456000
_cell_length_c 6.67636000
_cell_angle_alpha 99.75241000
_cell_angle_beta 90.01276000
_cell_angle_gamma 59.03524000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.47653141
_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 0.70666470 0.65261235 0.57903329 1
C C1 1 0.70167455 0.15849417 0.59656359 1
C C2 1 1.40127167 0.95617534 0.89115965 1
C C3 1 0.35239994 0.50661659 0.04709399 1
C C4 1 0.13071399 0.22815988 0.27019610 1
C C5 1 0.78215895 0.07711138 0.34116455 1
C C6 1 0.12907576 0.72895114 0.89045831 1
C C7 1 0.33298189 0.52586310 0.66501475 1
C C8 1 0.14860918 0.70973174 0.27253531 1
C C9 1 0.77593408 0.58322390 0.35859827 1
C C10 1 1.07915079 0.27901643 1.04646960 1
C C11 1 0.35230580 0.00785038 0.66759629 1
| -154.399407 |
3,920 | C-189730-9377-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48069000
_cell_length_b 3.68874000
_cell_length_c 4.21633000
_cell_angle_alpha 75.16157000
_cell_angle_beta 89.97138000
_cell_angle_gamma 70.37154000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.97285574
_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 -0.30414641 0.77615116 0.63624204 1
C C1 1 0.37424730 0.41753357 0.33819783 1
C C2 1 0.17620552 0.81495735 0.41378243 1
C C3 1 -0.08299111 0.33064648 0.84248382 1
C C4 1 0.95298661 0.26024391 0.20745320 1
C C5 1 0.49486318 0.17456813 0.71129908 1
| -154.307457 |
81 | C-193918-9298-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.77395000
_cell_length_b 3.63775000
_cell_length_c 4.98966000
_cell_angle_alpha 67.82541000
_cell_angle_beta 70.26953000
_cell_angle_gamma 88.53644000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.58816146
_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 1.28366122 0.53532600 0.76100194 1
C C1 1 0.47256255 0.32188971 0.56983257 1
C C2 1 -0.03256289 0.38154786 0.06986471 1
C C3 1 0.47285615 0.94081260 0.56902631 1
C C4 1 0.77700922 0.59476572 0.26112245 1
C C5 1 -0.22348814 0.97617821 0.26155982 1
| -154.1271 |
1,384 | C-157668-5131-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45213000
_cell_length_b 4.07703000
_cell_length_c 4.53671000
_cell_angle_alpha 87.37600000
_cell_angle_beta 74.10926000
_cell_angle_gamma 89.91039000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.57353088
_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 0.46829195 0.63809160 0.92003963 1
C C1 1 0.04016229 0.69671928 0.77807326 1
C C2 1 0.20366891 0.82564965 0.45234305 1
C C3 1 0.30518771 0.51772347 0.24740459 1
C C4 1 0.73170137 0.01559897 0.39509045 1
C C5 1 0.77594817 0.32863552 0.30762202 1
| -154.227545 |
2,583 | C-57135-1753-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43177000
_cell_length_b 6.36979000
_cell_length_c 5.41379000
_cell_angle_alpha 88.66332000
_cell_angle_beta 89.97806000
_cell_angle_gamma 100.98760000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 82.29821177
_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 0.24935211 1.10177531 0.37900935 1
C C1 1 0.02912946 0.66150166 0.22931215 1
C C2 1 0.04434101 0.69513350 0.74888582 1
C C3 1 1.09679767 0.79580838 0.99132943 1
C C4 1 0.74101642 0.09043052 0.78781222 1
C C5 1 0.56670569 0.73928632 0.36140084 1
C C6 1 0.69084641 -0.01623969 0.29294141 1
C C7 1 -0.08817275 0.42550174 0.23896269 1
C C8 1 0.25241116 0.11228605 0.66075874 1
C C9 1 0.36115393 0.32269192 0.27297297 1
C C10 1 0.54009606 0.68662723 0.62512228 1
C C11 1 0.66942003 0.94241476 1.01319151 1
| -154.203877 |
1,475 | C-141035-7356-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31633000
_cell_length_b 3.51838000
_cell_length_c 4.83435000
_cell_angle_alpha 111.35466000
_cell_angle_beta 133.33468000
_cell_angle_gamma 89.98324000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.52330733
_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 0.37488435 0.36923364 0.40229046 1
C C1 1 0.97658598 0.90604291 0.17092959 1
C C2 1 0.30947338 0.60131567 0.17078557 1
C C3 1 0.34627372 0.67414692 0.70727966 1
C C4 1 1.01298800 0.36940998 0.70690671 1
C C5 1 -0.05230114 -0.09391262 0.47579332 1
| -154.408572 |
3,878 | C-189709-289-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46236000
_cell_length_b 5.92905000
_cell_length_c 6.39374000
_cell_angle_alpha 101.31804000
_cell_angle_beta 101.08909000
_cell_angle_gamma 102.00270000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 86.84334516
_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 0.85168936 1.05244225 0.39999998 1
C C1 1 0.77151738 0.45788222 0.83312851 1
C C2 1 0.32087744 0.92869396 0.46435869 1
C C3 1 0.18421088 0.05751306 0.05629960 1
C C4 1 0.03146854 0.32925938 0.48536677 1
C C5 1 1.02244041 -0.02310280 0.81313841 1
C C6 1 0.62991589 0.39731875 0.61498292 1
C C7 1 0.35931477 0.33057359 0.13781946 1
C C8 1 0.68655414 0.97033321 0.14897818 1
C C9 1 0.55486069 0.71342821 0.14845181 1
C C10 1 0.97275423 0.42095584 0.27750154 1
C C11 1 0.11120522 0.68856509 0.28511908 1
C C12 1 1.45381305 0.94917971 0.70416173 1
C C13 1 0.35233548 0.48771213 0.96482871 1
| -154.311754 |
1,971 | C-9620-6892-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42949000
_cell_length_b 6.18806000
_cell_length_c 4.88697000
_cell_angle_alpha 87.48627000
_cell_angle_beta 76.23292000
_cell_angle_gamma 90.15809000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 71.28391299
_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 0.31478305 0.71266571 0.54911434 1
C C1 1 0.94196436 1.01320767 0.30530527 1
C C2 1 0.46125210 0.60014407 0.26093716 1
C C3 1 0.19939083 0.32758812 0.79931522 1
C C4 1 0.44425339 0.36090413 0.30170851 1
C C5 1 0.66937311 -0.02268889 -0.15271315 1
C C6 1 0.04939765 0.66710062 0.08199403 1
C C7 1 0.08141491 0.91055002 0.02504871 1
C C8 1 0.19259363 0.56335753 0.80287180 1
C C9 1 0.94070551 0.24884652 0.30888802 1
C C10 1 0.80975615 0.86430568 0.55954964 1
C C11 1 0.69522702 0.21574452 0.80657384 1
| -154.121044 |
7,173 | C-72746-903-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48662000
_cell_length_b 4.30189000
_cell_length_c 4.30242000
_cell_angle_alpha 48.24067000
_cell_angle_beta 73.32179000
_cell_angle_gamma 73.33566000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.59126908
_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 0.70107743 0.83259031 0.48071166 1
C C1 1 0.36774410 0.16592365 0.81404500 1
C C2 1 0.20115760 0.08253535 0.23074704 1
C C3 1 0.86782427 0.41586869 0.56408037 1
C C4 1 0.53449094 0.74920202 -0.10258630 1
C C5 1 0.03441076 0.49925698 0.14737833 1
| -154.546736 |
2,412 | C-145350-4405-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43249000
_cell_length_b 3.94264000
_cell_length_c 6.34569000
_cell_angle_alpha 108.57528000
_cell_angle_beta 90.80194000
_cell_angle_gamma 89.35401000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.68043290
_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 -0.09380783 0.14795933 0.53572410 1
C C1 1 0.90595901 0.14801566 1.03569430 1
C C2 1 0.40622286 0.64795003 0.28574258 1
C C3 1 0.40594359 0.64802605 0.78566924 1
C C4 1 0.40590122 0.98012819 0.95251556 1
C C5 1 0.90593191 0.48011889 0.70253404 1
C C6 1 0.90616507 0.48006256 0.20256385 1
C C7 1 0.40618048 0.98005217 0.45258890 1
| -154.469289 |
4,046 | C-193932-9509-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43096000
_cell_length_b 4.53214000
_cell_length_c 4.56779000
_cell_angle_alpha 89.73718000
_cell_angle_beta 117.84088000
_cell_angle_gamma 101.47415000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.38371623
_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 0.68408759 0.35643057 0.31333734 1
C C1 1 1.01745588 0.68974968 -0.01995158 1
C C2 1 0.35076442 0.02307681 0.64668817 1
C C3 1 0.12803206 0.46791729 0.20162979 1
C C4 1 0.79472352 0.13459016 0.53499004 1
C C5 1 0.46140035 0.80123640 0.86834087 1
| -154.447326 |
9,289 | C-157724-4895-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45283000
_cell_length_b 5.93900000
_cell_length_c 5.77232000
_cell_angle_alpha 99.99396000
_cell_angle_beta 115.19205000
_cell_angle_gamma 114.29799000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 62.84608624
_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 0.50391016 0.20707659 0.37358696 1
C C1 1 1.02749211 0.52097927 0.58383310 1
C C2 1 0.17071622 0.75402823 0.49256422 1
C C3 1 0.96495748 0.93182036 0.60906032 1
C C4 1 0.62993136 0.47865390 0.72829634 1
C C5 1 0.04851677 0.58900101 0.03691689 1
C C6 1 0.10647899 0.16481957 0.51805385 1
C C7 1 1.08528415 0.09549845 1.06470159 1
C C8 1 0.74462013 0.64251369 0.17905555 1
C C9 1 0.39166473 1.04352754 0.92265276 1
| -154.202535 |
7,649 | C-96682-5217-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48456000
_cell_length_b 4.77136000
_cell_length_c 4.99570000
_cell_angle_alpha 83.45084000
_cell_angle_beta 90.00038000
_cell_angle_gamma 74.94886000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.79070609
_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 0.13269469 0.53674427 0.87170498 1
C C1 1 0.46918271 0.86271711 0.49284813 1
C C2 1 0.90140413 -0.00272263 0.10912684 1
C C3 1 0.86385609 0.07996769 0.81963039 1
C C4 1 -0.00362675 0.80937132 0.66528364 1
C C5 1 0.48917544 0.82073672 0.19578636 1
C C6 1 0.27602199 0.25667101 0.73309739 1
C C7 1 0.63079227 0.53991484 0.05868646 1
C C8 1 0.76870561 0.26790870 0.26491695 1
C C9 1 0.29502813 0.21462466 0.43652597 1
| -154.372225 |
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