Unnamed: 0
int64 2
10.1k
| material_id
stringlengths 12
16
| cif
stringlengths 939
1.86k
| energy_per_atom
float64 -154.56
-154.07
|
|---|---|---|---|
3,550 | C-41316-1619-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45995000
_cell_length_b 5.90130000
_cell_length_c 7.31254000
_cell_angle_alpha 118.28071000
_cell_angle_beta 85.03395000
_cell_angle_gamma 118.84131000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 80.48943148
_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 0.59854740 0.70252948 0.56898539 1
C C1 1 0.52007398 0.19179920 0.76517305 1
C C2 1 0.04726286 0.26501763 0.90475187 1
C C3 1 0.63760095 0.70042800 0.26099669 1
C C4 1 0.59365419 0.17980347 0.42788051 1
C C5 1 0.55210448 0.03973475 0.02703419 1
C C6 1 0.31399883 0.88055347 0.37829916 1
C C7 1 0.48683906 0.58884668 0.71911476 1
C C8 1 0.70248767 0.27409783 0.26694747 1
C C9 1 0.39749401 0.47035339 0.32782191 1
C C10 1 0.50122389 0.59970437 1.04174720 1
C C11 1 0.28004369 0.87955291 0.58567676 1
C C12 1 0.78123136 0.82214051 -0.04327443 1
C C13 1 0.76606543 0.38957941 0.66044467 1
| -154.077625 |
875 | C-177226-1356-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42381000
_cell_length_b 4.61725000
_cell_length_c 3.50095000
_cell_angle_alpha 68.47091000
_cell_angle_beta 94.73342000
_cell_angle_gamma 92.47155000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 51.30321066
_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 1.09910306 -0.12146536 0.76223262 1
C C1 1 0.90770710 0.38500750 0.34798858 1
C C2 1 0.47572220 0.70016229 0.79359003 1
C C3 1 -0.18186176 0.71193579 0.12538688 1
C C4 1 0.75674165 0.86715176 0.43006858 1
C C5 1 0.67179842 0.19469274 0.20707564 1
C C6 1 0.16000848 0.22199963 0.67422095 1
C C7 1 0.41711935 0.35686545 0.88216842 1
| -154.117895 |
339 | C-141051-6029-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56829000
_cell_length_b 4.28271000
_cell_length_c 6.61417000
_cell_angle_alpha 118.13623000
_cell_angle_beta 112.75511000
_cell_angle_gamma 103.37713000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 90.59074006
_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 0.47163429 0.60714324 0.50646147 1
C C1 1 0.19047748 0.21433298 0.91668079 1
C C2 1 1.07652776 0.38276492 0.27294886 1
C C3 1 0.71839275 0.70654397 0.40890077 1
C C4 1 0.05766928 0.13924504 0.64138931 1
C C5 1 0.54174000 -0.02258062 0.76801273 1
C C6 1 0.51389531 0.94054166 0.12618546 1
C C7 1 0.60100093 0.39165089 0.61157488 1
C C8 1 0.49970417 0.64401145 0.14838128 1
C C9 1 0.41228618 0.19353764 0.66355426 1
C C10 1 0.82303337 0.37015748 0.35794864 1
C C11 1 0.29515223 0.87805549 0.86566405 1
C C12 1 0.95539514 0.44549727 0.63345227 1
C C13 1 0.93684663 0.20100898 1.00147573 1
| -154.19429 |
2,663 | C-170871-2485-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43313000
_cell_length_b 3.07837000
_cell_length_c 8.74683000
_cell_angle_alpha 81.51073000
_cell_angle_beta 106.20280000
_cell_angle_gamma 112.13999000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.20695880
_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 0.85581236 0.96974804 0.29818379 1
C C1 1 1.02255084 0.96918505 0.46479674 1
C C2 1 1.10607214 0.96959064 0.04838980 1
C C3 1 0.52279797 -0.03108109 0.96514985 1
C C4 1 0.60574316 -0.03009778 0.54798921 1
C C5 1 -0.22717301 -0.03097286 0.71503690 1
C C6 1 0.27249839 0.96907831 0.21491743 1
C C7 1 0.35605904 0.96972278 0.79821530 1
| -154.461113 |
235 | C-80144-1745-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46657000
_cell_length_b 3.62508000
_cell_length_c 6.55734000
_cell_angle_alpha 106.46039000
_cell_angle_beta 82.64764000
_cell_angle_gamma 117.60735000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 49.82709294
_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 0.55764809 1.04473952 0.32094899 1
C C1 1 0.20610599 0.65360002 0.81945278 1
C C2 1 0.71052334 0.49077324 0.48027432 1
C C3 1 0.86112554 0.77247189 0.32098670 1
C C4 1 0.21065186 0.55512170 0.60889536 1
C C5 1 0.55537157 0.43468643 1.10722659 1
C C6 1 0.85907090 0.16253464 0.10737969 1
C C7 1 -0.29427338 0.71704007 -0.05184273 1
| -154.182386 |
6,091 | C-184046-597-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35706000
_cell_length_b 2.46722000
_cell_length_c 5.77595000
_cell_angle_alpha 64.61682000
_cell_angle_beta 79.42950000
_cell_angle_gamma 68.54784000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.20702205
_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 0.59452420 0.16850668 0.74595672 1
C C1 1 0.89961830 0.49332051 0.26770429 1
C C2 1 0.34194422 0.19209684 0.34734233 1
C C3 1 0.64729773 0.51989217 0.86922406 1
C C4 1 0.51603817 0.48041567 0.47208287 1
C C5 1 0.72537859 0.20488853 0.14324743 1
| -154.135937 |
61 | C-141022-7340-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47973000
_cell_length_b 4.89315000
_cell_length_c 3.68871000
_cell_angle_alpha 92.85332000
_cell_angle_beta 109.61860000
_cell_angle_gamma 120.42325000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.99801702
_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 0.29507079 0.86776217 0.16497515 1
C C1 1 0.67793888 0.56991976 0.52438009 1
C C2 1 0.72373889 0.07398618 0.61036207 1
C C3 1 0.12552087 0.43912737 0.68154055 1
C C4 1 0.55438207 0.64550718 1.12675332 1
C C5 1 0.17105110 0.94278636 0.76680081 1
| -154.31542 |
2,254 | C-73631-2702-59 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67787000
_cell_length_b 4.65244000
_cell_length_c 4.66463000
_cell_angle_alpha 110.00535000
_cell_angle_beta 103.79022000
_cell_angle_gamma 128.64972000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.68877318
_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 0.30667690 0.63426276 0.51092363 1
C C1 1 0.31249127 0.63481201 0.19977128 1
C C2 1 1.07268310 0.63763091 0.95790788 1
C C3 1 0.07824110 0.63797223 0.64656499 1
C C4 1 0.78708800 0.63829409 0.48528157 1
C C5 1 0.62663535 0.63833795 0.19668314 1
C C6 1 0.59797925 0.63412188 0.67220527 1
C C7 1 0.75910664 0.63546287 0.96149624 1
| -154.191968 |
5,629 | C-90837-7402-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42779000
_cell_length_b 4.73843000
_cell_length_c 3.26522000
_cell_angle_alpha 89.99700000
_cell_angle_beta 90.04250000
_cell_angle_gamma 114.69091000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.18607063
_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 0.23856226 0.47170162 0.59249427 1
C C1 1 0.90145418 -0.05969317 0.37207812 1
C C2 1 1.04308072 0.63739769 0.87213377 1
C C3 1 -0.09835761 0.44041589 0.24350870 1
C C4 1 0.70640752 0.60597269 0.52450261 1
C C5 1 1.04271185 0.13724623 0.74362329 1
C C6 1 0.23812605 0.97170292 1.02465645 1
C C7 1 0.70606283 0.10601883 0.09233130 1
| -154.189598 |
7,048 | C-170354-4342-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17489000
_cell_length_b 2.51199000
_cell_length_c 4.18091000
_cell_angle_alpha 107.29244000
_cell_angle_beta 121.05191000
_cell_angle_gamma 72.82961000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.32164699
_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 -0.02778907 0.08970986 0.27614483 1
C C1 1 0.99147440 0.70038066 0.51937031 1
C C2 1 0.36040989 0.70011224 0.88776892 1
C C3 1 0.31679204 0.89180571 0.23215400 1
C C4 1 0.64715261 0.89175861 0.56329054 1
C C5 1 0.60381943 0.09013881 0.90797090 1
| -154.225396 |
1,719 | C-148280-4021-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50471000
_cell_length_b 4.25105000
_cell_length_c 4.81007000
_cell_angle_alpha 116.25418000
_cell_angle_beta 90.01809000
_cell_angle_gamma 89.98538000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.93251576
_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 0.54600702 0.21097267 0.67248647 1
C C1 1 0.04625528 0.08588218 0.15508967 1
C C2 1 0.04589884 0.11245743 0.47536372 1
C C3 1 0.54632563 0.84424733 0.67239306 1
C C4 1 0.54629630 0.87008922 0.99163039 1
C C5 1 1.04633165 0.45192020 0.15502131 1
C C6 1 0.54620260 0.50427522 -0.00839673 1
C C7 1 0.04622480 0.74537666 0.47528040 1
| -154.260358 |
4,427 | C-106853-7201-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42953000
_cell_length_b 5.56357000
_cell_length_c 6.76984000
_cell_angle_alpha 94.07733000
_cell_angle_beta 73.85432000
_cell_angle_gamma 99.67902000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 86.61787092
_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 0.19756107 -0.06163321 0.51892602 1
C C1 1 1.19887778 0.38348266 0.74039231 1
C C2 1 0.69903193 0.05026147 0.57357471 1
C C3 1 0.69738835 0.60495916 0.35238680 1
C C4 1 0.69892835 0.71689530 0.90694670 1
C C5 1 0.19745794 0.27162002 1.18572168 1
C C6 1 0.19737493 0.60494194 0.85240086 1
C C7 1 0.69890237 0.38350606 0.24038650 1
C C8 1 0.69742934 0.27158592 0.68573841 1
C C9 1 0.19905119 0.05030433 0.07352953 1
C C10 1 0.69756491 0.93839391 0.01888935 1
C C11 1 0.19893464 0.71690174 0.40693634 1
| -154.453025 |
160 | C-57157-9757-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50306000
_cell_length_b 7.16759000
_cell_length_c 6.70426000
_cell_angle_alpha 81.65572000
_cell_angle_beta 92.27972000
_cell_angle_gamma 62.42362000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 104.69989546
_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 0.15649300 0.24437337 1.07062701 1
C C1 1 0.39992723 0.41499320 0.53166967 1
C C2 1 1.12884587 0.64860883 0.85839380 1
C C3 1 0.05350103 0.31511870 0.84313091 1
C C4 1 0.52714931 0.00332259 0.12432986 1
C C5 1 1.14758477 0.90654428 0.04482579 1
C C6 1 0.99491911 0.87726125 0.83948235 1
C C7 1 0.53301325 0.68132900 0.16580473 1
C C8 1 0.52309036 0.33554752 0.15883283 1
C C9 1 0.65619515 0.06675089 0.47426539 1
C C10 1 0.55692927 0.27112810 0.38047820 1
C C11 1 0.18771988 0.57632409 0.09688607 1
C C12 1 0.75279236 0.89620294 0.35592463 1
C C13 1 0.71314376 0.55474982 0.54375892 1
C C14 1 0.45309028 0.74915276 0.37631154 1
C C15 1 0.61999570 0.25568010 0.73577194 1
C C16 1 0.73463661 0.55955518 0.77434959 1
C C17 1 0.79902486 0.04197270 0.68285495 1
| -154.207761 |
110 | C-172921-6657-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47803000
_cell_length_b 2.47794000
_cell_length_c 6.31190000
_cell_angle_alpha 101.31552000
_cell_angle_beta 78.70279000
_cell_angle_gamma 119.99967000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.69379508
_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 0.29742424 0.73799919 0.14855203 1
C C1 1 0.52151999 0.51771985 0.48330608 1
C C2 1 0.37792393 0.65381344 0.90125736 1
C C3 1 0.60421149 0.43358459 0.23220033 1
C C4 1 0.07239163 -0.04052239 0.81831416 1
C C5 1 0.15916732 0.87807991 0.56739954 1
| -154.528669 |
4,532 | C-107766-482-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48441000
_cell_length_b 4.08554000
_cell_length_c 4.67931000
_cell_angle_alpha 96.68547000
_cell_angle_beta 74.60689000
_cell_angle_gamma 90.00677000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.45704608
_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 0.43783736 0.48421306 0.82902292 1
C C1 1 -0.06361321 0.25918085 0.83204534 1
C C2 1 0.31846649 0.79026542 1.06140827 1
C C3 1 0.60740609 0.55188108 0.48764727 1
C C4 1 0.66349690 0.19570705 0.37371884 1
C C5 1 0.09223757 0.07734728 0.51819131 1
C C6 1 0.81926138 1.01718014 0.05989258 1
C C7 1 0.14918992 0.72191742 0.40189677 1
| -154.365129 |
6,218 | C-126187-3348-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39364000
_cell_length_b 4.55307000
_cell_length_c 4.55566000
_cell_angle_alpha 63.10949000
_cell_angle_beta 68.09958000
_cell_angle_gamma 68.09350000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.44496995
_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 0.50964567 0.90927864 0.46060402 1
C C1 1 0.11091414 0.22121312 0.44565653 1
C C2 1 0.71205075 0.20633326 0.75736422 1
C C3 1 1.01311146 0.62778986 0.88721589 1
C C4 1 0.36099714 0.48798674 0.33051639 1
C C5 1 0.20869564 0.77968686 0.03876135 1
C C6 1 -0.13920953 0.33608950 0.17897013 1
C C7 1 0.39347106 0.55805062 0.60867799 1
C C8 1 0.61095413 0.89467159 0.77206952 1
C C9 1 0.82798373 0.05810171 0.10876306 1
| -154.271291 |
9,639 | C-142771-2182-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31860000
_cell_length_b 3.31867000
_cell_length_c 4.89112000
_cell_angle_alpha 72.64839000
_cell_angle_beta 72.66493000
_cell_angle_gamma 97.13054000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.72091375
_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 0.70647649 0.16859994 0.59975946 1
C C1 1 1.17184501 0.18186545 0.11641169 1
C C2 1 0.34840572 0.81165774 0.60013223 1
C C3 1 -0.00534947 1.00419749 0.76619879 1
C C4 1 0.81986518 0.83018139 0.11631536 1
C C5 1 0.00808346 0.47103793 0.28232595 1
C C6 1 0.34735735 0.35628755 0.76605444 1
C C7 1 0.36438986 0.82877211 0.28244297 1
| -154.166424 |
9,024 | C-92134-5968-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48135000
_cell_length_b 4.75589000
_cell_length_c 7.32165000
_cell_angle_alpha 98.05477000
_cell_angle_beta 102.20887000
_cell_angle_gamma 97.53146000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 82.45476677
_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 -0.11354212 0.51035215 0.45707946 1
C C1 1 0.48298760 0.53067474 0.58417164 1
C C2 1 0.18642211 0.75906044 0.85039781 1
C C3 1 0.58949193 0.32403920 0.72264875 1
C C4 1 0.43696753 0.18320378 0.14027148 1
C C5 1 0.57695169 0.03684277 0.62878343 1
C C6 1 0.51087698 -0.03427181 0.42207179 1
C C7 1 0.25737092 -0.13319327 0.06088094 1
C C8 1 0.45466761 0.41113096 1.04432511 1
C C9 1 0.62356092 0.80360727 0.73371354 1
C C10 1 1.19321933 0.42755312 0.84598020 1
C C11 1 0.62384278 0.22609404 0.33400268 1
C C12 1 0.73712725 0.71758782 0.13705675 1
C C13 1 0.90978129 0.77542108 0.35261062 1
| -154.081421 |
680 | C-96672-9795-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48843000
_cell_length_b 2.48788000
_cell_length_c 6.57833000
_cell_angle_alpha 67.73370000
_cell_angle_beta 79.07955000
_cell_angle_gamma 59.98060000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.63330576
_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 0.37523581 0.76865598 0.35389727 1
C C1 1 0.70862062 0.18522482 0.27070607 1
C C2 1 0.70856915 0.43532265 0.02056393 1
C C3 1 1.04195395 0.85189149 0.93737273 1
C C4 1 0.04190248 1.10198931 0.68723060 1
C C5 1 0.37528729 0.51855815 0.60403940 1
| -154.545212 |
6,675 | C-106899-908-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50364000
_cell_length_b 3.29596000
_cell_length_c 6.53599000
_cell_angle_alpha 85.97843000
_cell_angle_beta 79.30877000
_cell_angle_gamma 67.81940000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 49.07614366
_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 0.80748404 0.63279823 0.31965619 1
C C1 1 0.90637246 0.27490909 0.49193180 1
C C2 1 0.06686532 0.27482677 0.16172435 1
C C3 1 0.16940211 0.91568513 0.31966558 1
C C4 1 1.08070528 0.63295458 0.79597973 1
C C5 1 0.44250287 -0.08410170 0.79597351 1
C C6 1 0.34444499 1.27468467 0.62267423 1
C C7 1 0.18329942 0.27453494 0.95379541 1
| -154.110523 |
6,340 | C-176656-6648-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.53120000
_cell_length_b 2.45781000
_cell_length_c 6.83690000
_cell_angle_alpha 68.93270000
_cell_angle_beta 83.27204000
_cell_angle_gamma 89.42881000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.39372924
_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 0.54118502 0.60997363 0.27485007 1
C C1 1 0.33188327 -0.21731149 0.60183116 1
C C2 1 0.39869923 0.38796713 0.49568163 1
C C3 1 0.23436603 0.54989531 0.83321849 1
C C4 1 0.60751388 0.21517026 0.16873462 1
C C5 1 0.70339226 0.44714287 0.93727943 1
| -154.076083 |
755 | C-91048-5527-56 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48973000
_cell_length_b 7.13751000
_cell_length_c 8.37662000
_cell_angle_alpha 108.19845000
_cell_angle_beta 88.78391000
_cell_angle_gamma 90.21948000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C24
_cell_volume 141.37830589
_cell_formula_units_Z 24
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.64020069 0.55561845 0.90543845 1
C C1 1 0.64806292 0.44715742 1.02277000 1
C C2 1 1.13355029 0.63087028 0.26185853 1
C C3 1 0.63557517 0.76987905 0.94846368 1
C C4 1 0.15365738 0.50643879 0.55931288 1
C C5 1 1.13951014 0.80326445 0.85909067 1
C C6 1 0.63904219 0.23804859 0.36860937 1
C C7 1 0.64878868 0.47705427 0.44836658 1
C C8 1 0.21772133 -0.02698435 0.80376395 1
C C9 1 0.66084101 0.26457104 0.87862606 1
C C10 1 0.21859479 0.69813099 0.67629945 1
C C11 1 0.62906181 0.64406671 0.36629043 1
C C12 1 0.59076372 0.87049213 0.47927798 1
C C13 1 0.63180097 0.89304434 0.14097627 1
C C14 1 0.13987471 0.44269803 0.12207923 1
C C15 1 0.40770109 0.86736385 0.64594202 1
C C16 1 0.14203501 0.34021246 0.63382215 1
C C17 1 0.64262279 0.36894933 0.74512989 1
C C18 1 0.13214558 0.17935433 0.45267176 1
C C19 1 1.12521176 0.84180069 0.22659466 1
C C20 1 0.64021386 0.13587929 0.17507230 1
C C21 1 0.14365853 0.20877414 0.10531305 1
C C22 1 0.10726019 0.95648526 0.41926226 1
C C23 1 0.16416521 0.16491376 0.90850915 1
| -154.068953 |
409 | C-134189-3129-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91660000
_cell_length_b 3.32131000
_cell_length_c 3.78625000
_cell_angle_alpha 95.90065000
_cell_angle_beta 88.09388000
_cell_angle_gamma 74.19206000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.04197340
_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 0.27227381 0.95905843 1.06316078 1
C C1 1 0.52538653 0.13708423 0.55405303 1
C C2 1 0.60534599 0.57403768 0.07402068 1
C C3 1 0.11687034 0.75892031 0.36645940 1
C C4 1 0.16681608 0.05406067 0.69985820 1
C C5 1 0.76519038 0.70738256 0.42109347 1
C C6 1 0.38028220 0.33381661 0.24429270 1
C C7 1 -0.21750013 0.38656361 0.70961355 1
| -154.0825 |
8,399 | C-41264-888-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42882000
_cell_length_b 3.03800000
_cell_length_c 7.23042000
_cell_angle_alpha 123.16584000
_cell_angle_beta 74.90887000
_cell_angle_gamma 96.56077000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.09363962
_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 0.58439060 0.74356908 0.89873702 1
C C1 1 0.69483485 0.29925355 0.67707773 1
C C2 1 1.02834003 -0.03358028 0.01028336 1
C C3 1 0.25094261 0.07642907 0.56546088 1
C C4 1 0.36162174 0.63271230 0.34362378 1
C C5 1 0.91778378 0.41023098 0.23200774 1
| -154.439123 |
6,609 | C-136249-3748-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48165000
_cell_length_b 4.22097000
_cell_length_c 3.68744000
_cell_angle_alpha 105.02031000
_cell_angle_beta 109.64302000
_cell_angle_gamma 89.96879000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.97561918
_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 0.32752529 0.43668206 0.36452869 1
C C1 1 0.54905902 0.64340347 0.81054100 1
C C2 1 0.87290491 0.94131756 0.45478229 1
C C3 1 0.74914711 0.56704423 0.20741737 1
C C4 1 1.06955500 0.86516398 0.85175825 1
C C5 1 0.29431658 0.07175179 0.29785601 1
| -154.311299 |
7,710 | C-28246-1719-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48702000
_cell_length_b 2.48649000
_cell_length_c 5.55986000
_cell_angle_alpha 77.07464000
_cell_angle_beta 77.07663000
_cell_angle_gamma 89.98936000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.61693150
_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 1.04083879 0.13926700 0.60181805 1
C C1 1 0.12452640 0.72291214 0.43471078 1
C C2 1 0.37417213 0.47260033 0.93515138 1
C C3 1 0.79119307 0.38957880 0.10137745 1
C C4 1 0.70750546 0.80593366 0.26848472 1
C C5 1 0.45785973 0.05624547 0.76804412 1
| -154.55071 |
9,642 | C-28254-7962-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49141000
_cell_length_b 3.59311000
_cell_length_c 4.35364000
_cell_angle_alpha 84.31532000
_cell_angle_beta 106.58760000
_cell_angle_gamma 110.26818000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.03874211
_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 0.44236226 0.85507024 0.39715546 1
C C1 1 0.88243866 0.11368994 1.02081296 1
C C2 1 0.25324556 0.85463866 0.02092736 1
C C3 1 0.35969370 0.48390004 0.60288673 1
C C4 1 0.07089326 1.11412781 0.39679246 1
C C5 1 0.96469056 0.48349792 0.81500973 1
| -154.199679 |
2,025 | C-148275-4529-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13997000
_cell_length_b 5.12007000
_cell_length_c 4.86487000
_cell_angle_alpha 75.01020000
_cell_angle_beta 114.92701000
_cell_angle_gamma 125.03744000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.05798545
_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 0.67433927 0.84700919 0.91917037 1
C C1 1 0.17432504 0.34681383 0.16916989 1
C C2 1 0.67438313 0.84702588 0.41915730 1
C C3 1 1.00534439 0.18036115 0.91837738 1
C C4 1 1.00537892 0.18036116 0.41837134 1
C C5 1 0.17428950 0.34679781 0.66915828 1
C C6 1 0.50797335 0.68028866 0.66916203 1
C C7 1 0.50796499 0.68027082 1.16920392 1
| -154.451 |
6,198 | C-189720-7233-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45293000
_cell_length_b 5.57372000
_cell_length_c 7.69415000
_cell_angle_alpha 124.21888000
_cell_angle_beta 99.18069000
_cell_angle_gamma 89.98277000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 85.35337411
_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 0.98290802 0.85733998 0.05677369 1
C C1 1 0.84121279 0.93179811 0.76838539 1
C C2 1 0.65664591 0.18586648 0.40415560 1
C C3 1 0.52527133 0.56260942 0.13517518 1
C C4 1 0.32926287 0.43340540 0.74745898 1
C C5 1 0.10670164 1.00091126 0.30223676 1
C C6 1 0.50992453 0.27213127 0.10723851 1
C C7 1 0.95851889 0.08726199 1.00523353 1
C C8 1 0.77602171 0.34139259 0.64091461 1
C C9 1 0.28719969 0.83876812 0.66170004 1
C C10 1 0.16944592 0.61261504 0.42830717 1
C C11 1 0.63098119 0.41548669 0.35247801 1
C C12 1 0.09476044 0.71071606 0.27457867 1
C C13 1 0.44623838 0.65983470 -0.01897916 1
| -154.334466 |
4,686 | C-72746-903-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45177000
_cell_length_b 6.13720000
_cell_length_c 4.54510000
_cell_angle_alpha 130.71043000
_cell_angle_beta 105.67119000
_cell_angle_gamma 101.49382000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.80301621
_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 0.39029432 0.31990185 0.32917597 1
C C1 1 0.82913145 0.64221022 0.88371818 1
C C2 1 0.48831954 0.83053793 1.01437458 1
C C3 1 0.36413889 0.44960330 0.14363746 1
C C4 1 0.85976400 0.51353777 0.07081087 1
C C5 1 0.73000410 0.13134933 0.19732625 1
| -154.25623 |
2,538 | C-28220-4725-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42838000
_cell_length_b 5.48186000
_cell_length_c 5.36477000
_cell_angle_alpha 107.08725000
_cell_angle_beta 90.17416000
_cell_angle_gamma 76.47329000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 66.20405749
_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 0.67558262 0.11683272 0.36104210 1
C C1 1 0.68632435 0.09308585 0.09040810 1
C C2 1 0.46110645 0.56424379 -0.09957702 1
C C3 1 -0.06876961 0.62821563 0.30555502 1
C C4 1 -0.13321323 0.74974625 0.59347068 1
C C5 1 0.27176926 0.93142492 0.66795505 1
C C6 1 0.18159458 0.10622080 0.49013629 1
C C7 1 0.45358686 0.58559557 0.17048516 1
C C8 1 0.20803265 1.05151827 0.95568640 1
C C9 1 0.95589236 0.57383800 0.77087972 1
| -154.189031 |
2,384 | C-13931-57-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44977000
_cell_length_b 5.43385000
_cell_length_c 5.70796000
_cell_angle_alpha 55.96600000
_cell_angle_beta 90.02057000
_cell_angle_gamma 90.03510000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 62.96715451
_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 0.97432745 0.87196967 0.51195129 1
C C1 1 0.47405767 0.68633939 0.65671843 1
C C2 1 0.97447630 0.30072767 0.63143936 1
C C3 1 0.97403659 0.50215156 0.31795813 1
C C4 1 0.47455843 0.36260617 0.74764061 1
C C5 1 -0.02484429 1.07042903 0.20276777 1
C C6 1 0.97424151 0.97715126 0.72213234 1
C C7 1 0.47404775 0.59256230 0.17625126 1
C C8 1 0.47505732 1.16119165 0.06102019 1
C C9 1 0.47401215 0.79129929 0.86687182 1
| -154.201588 |
165 | C-107717-3127-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48458000
_cell_length_b 4.67686000
_cell_length_c 4.08660000
_cell_angle_alpha 96.69348000
_cell_angle_beta 90.00991000
_cell_angle_gamma 105.37386000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.45115734
_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 0.73484117 0.09065019 0.61037767 1
C C1 1 0.08075069 0.77825429 0.20351232 1
C C2 1 0.56523585 0.74890885 0.67770456 1
C C3 1 0.35385232 0.31976056 0.14144513 1
C C4 1 0.85469590 0.32171894 0.91658594 1
C C5 1 0.50978828 0.63460959 0.32222048 1
C C6 1 0.02336240 0.66271054 0.84756109 1
C C7 1 0.23588849 1.09292894 0.38363101 1
| -154.364918 |
9,162 | C-28238-1215-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20544000
_cell_length_b 4.39742000
_cell_length_c 4.26578000
_cell_angle_alpha 59.07380000
_cell_angle_beta 88.55313000
_cell_angle_gamma 89.56421000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 67.64910555
_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 0.37356063 0.07672368 0.74938996 1
C C1 1 0.46954240 0.73842732 0.40712661 1
C C2 1 0.02521907 0.01405981 0.82590301 1
C C3 1 0.51503600 0.09335137 0.06484591 1
C C4 1 0.02195017 0.43288421 0.99138846 1
C C5 1 -0.13429828 0.73773255 0.82383038 1
C C6 1 0.52039794 0.75130367 0.74731066 1
C C7 1 0.86262262 0.15722102 -0.01214609 1
C C8 1 0.42137166 0.43132229 0.40730020 1
C C9 1 0.36768129 0.41871089 0.06728548 1
| -154.142745 |
947 | C-193960-2739-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87479000
_cell_length_b 4.84789000
_cell_length_c 4.28294000
_cell_angle_alpha 66.75540000
_cell_angle_beta 85.89832000
_cell_angle_gamma 79.35214000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 72.64968243
_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 0.69843656 0.31339741 1.12146113 1
C C1 1 0.69708552 1.01551369 1.12187028 1
C C2 1 0.45605264 0.52646698 0.87836441 1
C C3 1 0.31000279 0.36025200 0.72918002 1
C C4 1 -0.06046842 0.80226065 0.36498823 1
C C5 1 0.34162221 0.84108796 0.76820065 1
C C6 1 0.45820282 0.04438947 -0.12192626 1
C C7 1 0.93750008 0.28403687 0.36544624 1
C C8 1 0.05351531 0.48739952 0.47570824 1
C C9 1 0.08572667 -0.03172245 0.51430027 1
| -154.232908 |
852 | C-53848-9695-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51740000
_cell_length_b 4.41902000
_cell_length_c 5.38135000
_cell_angle_alpha 99.72216000
_cell_angle_beta 84.15455000
_cell_angle_gamma 101.17026000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.73882928
_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 0.15550756 0.48762438 0.54917725 1
C C1 1 0.79186198 -0.00040516 0.91181573 1
C C2 1 0.29300826 0.83285151 0.53729304 1
C C3 1 0.59939747 0.41032913 0.69702364 1
C C4 1 0.36665147 0.88679345 0.30402912 1
C C5 1 0.16159579 0.35003059 0.26101784 1
C C6 1 0.70997736 0.64661485 0.94465267 1
C C7 1 0.20520997 0.61768176 0.10912368 1
C C8 1 0.37615213 0.07158748 0.76260701 1
C C9 1 0.63145772 0.15686661 0.19000883 1
| -154.111206 |
6,812 | C-142845-2021-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43905000
_cell_length_b 5.97597000
_cell_length_c 9.13007000
_cell_angle_alpha 70.97812000
_cell_angle_beta 86.28240000
_cell_angle_gamma 79.25125000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 123.60169932
_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 0.63505490 0.23423906 0.95356436 1
C C1 1 0.62091187 0.04430793 0.32584781 1
C C2 1 1.32438435 0.69235718 0.30482331 1
C C3 1 0.47095036 0.43581966 0.32766228 1
C C4 1 -0.44922279 0.37062641 0.06913376 1
C C5 1 0.54466344 0.28928907 0.22880487 1
C C6 1 0.47725682 0.62113300 -0.04686430 1
C C7 1 0.09869113 0.32228929 0.70026343 1
C C8 1 0.56864543 0.28045752 0.47886708 1
C C9 1 1.03211458 0.78107548 0.69889001 1
C C10 1 0.76545748 0.80954798 0.30369489 1
C C11 1 1.01827428 0.60791767 0.85593736 1
C C12 1 0.33766540 0.85525551 -0.01714296 1
C C13 1 0.10111340 0.34324033 0.85649873 1
C C14 1 0.60628976 0.32076966 0.62636286 1
C C15 1 0.54599287 0.04605622 0.47826723 1
C C16 1 0.77804887 0.97045014 -0.01682252 1
C C17 1 0.52696653 0.85508988 0.62480789 1
| -154.08128 |
8,585 | C-57113-4466-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42995000
_cell_length_b 4.20638000
_cell_length_c 6.74085000
_cell_angle_alpha 57.18079000
_cell_angle_beta 100.13286000
_cell_angle_gamma 90.14421000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.63951548
_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 0.75165267 0.74162527 0.83346683 1
C C1 1 0.75220082 0.40657384 0.83564775 1
C C2 1 0.25217527 0.90656302 0.83565716 1
C C3 1 0.95992871 -0.01958517 0.33364825 1
C C4 1 0.96047686 0.64536340 0.33582917 1
C C5 1 0.46052066 0.14533372 0.33586456 1
C C6 1 0.25160887 0.24165495 0.83343144 1
C C7 1 0.45995425 0.48042565 0.33363884 1
| -154.437003 |
2,156 | C-136212-1087-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47092000
_cell_length_b 5.97610000
_cell_length_c 6.15091000
_cell_angle_alpha 93.40351000
_cell_angle_beta 101.60946000
_cell_angle_gamma 101.88070000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 86.58050137
_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 0.22278486 0.94916108 0.30517447 1
C C1 1 0.72532790 1.04792307 0.21226982 1
C C2 1 0.70011666 0.48706623 0.70910193 1
C C3 1 0.05442524 0.03141268 0.88763996 1
C C4 1 0.55128592 0.93199928 0.98029326 1
C C5 1 0.26902790 0.48562565 0.85000740 1
C C6 1 0.03970919 0.69269548 0.19052960 1
C C7 1 0.46119238 0.68799909 1.03833952 1
C C8 1 0.02044004 0.49418793 0.34376591 1
C C9 1 0.92369417 1.00182359 0.64886672 1
C C10 1 0.36233860 0.98249076 0.54435176 1
C C11 1 0.24100753 0.28684412 1.00229880 1
C C12 1 0.59124150 0.49304841 0.48478872 1
C C13 1 0.81945980 0.29141794 0.15448922 1
| -154.302021 |
915 | C-170354-4342-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47633000
_cell_length_b 3.72304000
_cell_length_c 4.92022000
_cell_angle_alpha 112.24738000
_cell_angle_beta 120.25271000
_cell_angle_gamma 89.98305000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.22313672
_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 0.85106161 0.08087559 0.69559335 1
C C1 1 0.57317632 0.69210825 0.91811153 1
C C2 1 0.57264658 0.64586826 0.41740574 1
C C3 1 0.85083990 0.48894552 0.69536003 1
C C4 1 -0.14845545 0.53502196 0.19611247 1
C C5 1 0.57327915 0.10017153 0.91803168 1
| -154.292082 |
6,738 | C-90817-5730-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47219000
_cell_length_b 5.03429000
_cell_length_c 6.41177000
_cell_angle_alpha 119.75624000
_cell_angle_beta 101.47298000
_cell_angle_gamma 94.60462000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 66.37332551
_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 0.57432153 1.29489269 0.29810022 1
C C1 1 0.22142215 0.80839045 0.48158368 1
C C2 1 0.43463961 0.80026385 0.71723227 1
C C3 1 0.23431331 0.17207651 0.59834086 1
C C4 1 0.96351333 0.75951017 1.03139908 1
C C5 1 0.97688800 0.12340215 0.14826253 1
C C6 1 0.90435041 0.65415476 0.75248962 1
C C7 1 0.76902076 0.13244720 0.91312349 1
C C8 1 0.29641779 0.27752300 0.87743345 1
C C9 1 0.73203333 0.31006181 0.55237579 1
C C10 1 0.46565584 0.62112878 0.07698164 1
C C11 1 0.62417624 0.63659183 0.33158116 1
| -154.258317 |
8,569 | C-72748-2386-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.14519000
_cell_length_b 2.43041000
_cell_length_c 5.76695000
_cell_angle_alpha 100.71239000
_cell_angle_beta 87.04578000
_cell_angle_gamma 87.22021000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.18150047
_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 0.79512251 0.53804761 0.76549339 1
C C1 1 0.13472029 0.87169034 0.43371933 1
C C2 1 0.35537952 0.76101233 0.21177629 1
C C3 1 1.02500987 0.42776186 0.54576804 1
C C4 1 0.68669401 1.09420096 0.87779483 1
C C5 1 0.46394839 0.20483141 0.09926981 1
| -154.463228 |
5,531 | C-90798-810-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14146000
_cell_length_b 4.66814000
_cell_length_c 4.42450000
_cell_angle_alpha 98.46311000
_cell_angle_beta 95.48635000
_cell_angle_gamma 134.62020000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.76608090
_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 0.64053939 0.75355078 0.25372547 1
C C1 1 0.40211042 0.75593931 1.01118814 1
C C2 1 0.40636719 1.07150231 0.01639682 1
C C3 1 0.63755697 0.43836181 0.24844301 1
C C4 1 0.92888293 0.56852621 0.53863384 1
C C5 1 0.09070445 0.43914976 0.69841174 1
C C6 1 0.11451481 0.94188196 0.72648435 1
C C7 1 -0.04621776 0.07095226 0.56520553 1
| -154.182889 |
8,373 | C-41262-9862-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45009000
_cell_length_b 6.45377000
_cell_length_c 5.53104000
_cell_angle_alpha 90.51808000
_cell_angle_beta 89.98306000
_cell_angle_gamma 79.07849000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 85.87078963
_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 0.31640461 0.79260325 0.15963308 1
C C1 1 0.35812262 0.71479386 0.42235438 1
C C2 1 -0.07142644 0.57306295 0.42091058 1
C C3 1 0.31652926 0.79186158 0.68605516 1
C C4 1 0.43161239 0.56342106 0.78563442 1
C C5 1 0.97931342 0.46592768 0.66729786 1
C C6 1 0.76004203 -0.09286342 0.07518292 1
C C7 1 0.09395938 0.23423772 1.16375997 1
C C8 1 0.97808620 0.46692527 0.17179777 1
C C9 1 0.64579733 1.12893832 0.15632070 1
C C10 1 0.64753105 0.12749670 0.68889188 1
C C11 1 0.75962357 0.90690306 0.77106765 1
C C12 1 0.43117787 0.56364225 0.05572428 1
C C13 1 1.09592782 0.23288601 0.67903593 1
| -154.317396 |
4,919 | C-170906-4496-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83213000
_cell_length_b 4.58966000
_cell_length_c 5.11726000
_cell_angle_alpha 47.28955000
_cell_angle_beta 60.20115000
_cell_angle_gamma 50.21759000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 50.50569388
_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 0.88998060 0.06839786 0.67532298 1
C C1 1 0.25773867 0.16554033 0.40273452 1
C C2 1 0.90721833 0.98169621 0.02345282 1
C C3 1 0.53899426 0.88478847 0.29596631 1
C C4 1 0.01201467 0.64408075 0.73074921 1
C C5 1 0.44035061 0.51833322 0.48859772 1
C C6 1 0.35664459 0.53172347 0.21026199 1
C C7 1 0.78547486 0.40575959 0.96819614 1
| -154.066633 |
8,695 | C-145313-1627-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51381000
_cell_length_b 4.55326000
_cell_length_c 6.50215000
_cell_angle_alpha 72.09008000
_cell_angle_beta 75.86466000
_cell_angle_gamma 87.12149000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.64810680
_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 0.23860140 1.02695967 0.66426836 1
C C1 1 0.84303174 0.49804242 0.82719850 1
C C2 1 0.57110491 0.93237316 0.01600108 1
C C3 1 0.33677072 1.00486047 0.42173569 1
C C4 1 -0.10416994 0.46577300 0.26479374 1
C C5 1 0.86104360 0.84594768 0.38346649 1
C C6 1 0.16564147 0.38473848 0.63241539 1
C C7 1 0.99301233 0.80571800 0.14878156 1
C C8 1 0.75447809 0.50475007 0.49621518 1
C C9 1 0.59187837 0.26761686 0.00474582 1
C C10 1 0.71479221 0.85803089 0.79386470 1
C C11 1 0.42446508 0.30554049 0.23233859 1
| -154.107218 |
4,853 | C-72732-3061-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42902000
_cell_length_b 6.51337000
_cell_length_c 5.99443000
_cell_angle_alpha 93.22794000
_cell_angle_beta 66.05261000
_cell_angle_gamma 90.05049000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 86.51206209
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.03161926 -0.01389552 0.31099647 1
C C1 1 0.25005606 0.68039130 1.08964872 1
C C2 1 0.13463755 0.61161865 0.70464149 1
C C3 1 0.30022249 0.91361885 1.04072031 1
C C4 1 0.17374790 0.83785447 0.66891424 1
C C5 1 0.45073102 0.30586808 0.39065258 1
C C6 1 0.94439772 0.97798922 0.89787705 1
C C7 1 0.58282231 0.67039090 0.25643170 1
C C8 1 -0.03937616 0.20972711 0.87866204 1
C C9 1 -0.02430302 0.20534008 0.36510009 1
C C10 1 0.48565552 0.54572614 0.85274583 1
C C11 1 0.46287258 0.31534445 0.87585434 1
C C12 1 0.43567477 0.88077393 0.40672560 1
C C13 1 0.39200090 0.52282043 0.44775033 1
| -154.195475 |
7,805 | C-102862-9284-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46670000
_cell_length_b 5.96687000
_cell_length_c 6.23182000
_cell_angle_alpha 123.15557000
_cell_angle_beta 90.03367000
_cell_angle_gamma 78.09009000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 74.42720120
_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 0.52314384 1.00465282 0.31712720 1
C C1 1 0.31863000 0.40979693 0.90857328 1
C C2 1 0.26491876 0.51925664 0.77059162 1
C C3 1 0.86892126 0.31064606 0.95752405 1
C C4 1 1.13288816 0.77936386 0.49643285 1
C C5 1 1.02662465 -0.00466085 0.79070800 1
C C6 1 0.45170711 0.14801356 0.18091383 1
C C7 1 0.86510448 0.32122630 0.21706188 1
C C8 1 0.71934886 0.60624797 0.46030518 1
C C9 1 0.71514862 0.61729405 0.72043615 1
C C10 1 0.06285113 0.92212934 0.36005200 1
C C11 1 -0.44283158 0.93252163 0.88626617 1
| -154.290558 |
1,867 | C-9618-6957-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33082000
_cell_length_b 4.82694000
_cell_length_c 7.06171000
_cell_angle_alpha 91.63119000
_cell_angle_beta 121.18004000
_cell_angle_gamma 68.10407000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 88.16900398
_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 0.93625970 0.37671408 0.84518303 1
C C1 1 0.51535145 0.77651884 0.20706465 1
C C2 1 0.50380352 0.79371693 0.00354472 1
C C3 1 1.24803279 0.06308969 0.84496662 1
C C4 1 -0.06714684 0.37959696 0.52693500 1
C C5 1 0.74779781 0.56651662 0.64093534 1
C C6 1 0.23482379 0.07950600 0.64094773 1
C C7 1 0.00308846 0.28949259 0.20707696 1
C C8 1 0.31654740 -0.01790931 0.31290585 1
C C9 1 0.43338674 0.87370532 0.53523543 1
C C10 1 0.81523884 0.47997077 0.00300833 1
C C11 1 0.81787893 0.47714691 0.32088974 1
| -154.255282 |
1,714 | C-136225-3934-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42541000
_cell_length_b 4.20615000
_cell_length_c 4.86583000
_cell_angle_alpha 89.62572000
_cell_angle_beta 60.08328000
_cell_angle_gamma 90.14120000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.02318854
_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 0.62854815 0.23549029 0.39154939 1
C C1 1 0.56682736 0.80094696 0.95452142 1
C C2 1 -0.02843719 0.21244477 0.54788258 1
C C3 1 0.62516121 0.14976004 0.89532699 1
C C4 1 1.03903308 0.64476554 -0.01802202 1
C C5 1 0.97697549 0.29626829 0.04356573 1
| -154.295548 |
2,225 | C-189713-5516-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51298000
_cell_length_b 3.62776000
_cell_length_c 8.27858000
_cell_angle_alpha 65.00955000
_cell_angle_beta 81.63740000
_cell_angle_gamma 70.11698000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 64.32791711
_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 0.70786184 0.18176205 0.78423119 1
C C1 1 0.99291998 0.79422569 0.60545070 1
C C2 1 0.79688618 0.69722217 0.08920660 1
C C3 1 0.29841928 0.58944111 0.19528119 1
C C4 1 0.80782508 0.28574897 0.47833154 1
C C5 1 0.61582298 0.18782917 0.96260114 1
C C6 1 0.98623878 0.44968829 0.96207026 1
C C7 1 0.30567743 0.39407934 0.37170925 1
C C8 1 -0.09965481 0.80025088 0.78395456 1
C C9 1 0.62219556 0.53193382 0.60610116 1
| -154.138911 |
4,409 | C-126138-5994-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44299000
_cell_length_b 4.24548000
_cell_length_c 8.66849000
_cell_angle_alpha 81.66501000
_cell_angle_beta 89.98144000
_cell_angle_gamma 90.01743000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 88.95702169
_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 0.19491862 -0.02812254 0.70148398 1
C C1 1 0.69523133 0.56998839 0.16394070 1
C C2 1 1.19530519 0.52483036 0.23990736 1
C C3 1 0.69491456 0.48167378 0.66782560 1
C C4 1 0.19563024 0.41910545 0.41205246 1
C C5 1 0.19476732 0.62014116 0.73648900 1
C C6 1 0.19596158 1.06388658 0.42709375 1
C C7 1 0.69473017 0.67971465 0.99197090 1
C C8 1 0.19470115 0.54361302 0.92257215 1
C C9 1 0.19432693 0.19433502 0.97290619 1
C C10 1 0.69420715 0.03430318 0.97861103 1
C C11 1 -0.30506382 0.13127190 0.70182719 1
C C12 1 0.69561978 0.55634585 0.48086977 1
C C13 1 0.69587359 0.90407351 0.43092343 1
| -154.250409 |
735 | C-141055-6281-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.21301000
_cell_length_b 3.28804000
_cell_length_c 4.82469000
_cell_angle_alpha 95.27209000
_cell_angle_beta 109.92861000
_cell_angle_gamma 111.55822000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.17008402
_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 -0.18449800 0.47572664 0.88878842 1
C C1 1 0.20122127 0.85808428 0.88989571 1
C C2 1 0.46970533 0.12687171 0.19288716 1
C C3 1 0.25846838 -0.08544630 0.38791573 1
C C4 1 0.41195205 1.07122482 0.69485155 1
C C5 1 0.85429338 0.51035434 0.19389404 1
| -154.116989 |
8,702 | C-177273-2684-55 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49054000
_cell_length_b 3.84755000
_cell_length_c 7.21788000
_cell_angle_alpha 89.35202000
_cell_angle_beta 80.07553000
_cell_angle_gamma 86.24202000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.98367631
_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 0.24493786 0.24846280 0.61487950 1
C C1 1 -0.19907936 0.67816378 0.08777737 1
C C2 1 0.69774697 0.36745119 0.72575053 1
C C3 1 0.74698928 0.88967981 0.91750826 1
C C4 1 0.80490020 0.74711841 0.72549893 1
C C5 1 0.73334832 0.93367687 0.25803252 1
C C6 1 0.17658987 0.43353855 0.42449360 1
C C7 1 0.62787608 0.67811633 0.42434897 1
C C8 1 0.55721832 0.22289696 0.91756420 1
C C9 1 0.33369989 0.43312762 0.08791792 1
C C10 1 0.36955443 0.86615427 0.61443295 1
C C11 1 0.23061173 0.17722410 0.25829347 1
| -154.104473 |
4,942 | C-148280-4021-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46065000
_cell_length_b 8.70103000
_cell_length_c 8.37342000
_cell_angle_alpha 49.38360000
_cell_angle_beta 89.97820000
_cell_angle_gamma 73.62532000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 126.37049399
_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 0.23934525 0.95851508 0.37080336 1
C C1 1 0.42085256 0.28648256 0.98129956 1
C C2 1 0.82158704 0.87601697 0.37053056 1
C C3 1 -0.06616509 0.27329402 1.07206865 1
C C4 1 0.46887345 0.23283755 0.35553561 1
C C5 1 0.64388311 0.55421246 0.24471857 1
C C6 1 -0.01416548 0.21889662 0.78213693 1
C C7 1 1.02526346 0.17724867 0.30130762 1
C C8 1 0.23463433 0.46327951 0.25821285 1
C C9 1 0.29136250 0.72697355 0.80640709 1
C C10 1 0.03892688 0.16553256 0.65548911 1
C C11 1 0.45352047 0.25200505 0.83912093 1
C C12 1 0.50598736 0.69461046 0.28153226 1
C C13 1 0.95080867 0.74993121 0.31649362 1
C C14 1 0.78948411 0.72885394 0.80877663 1
C C15 1 0.53949848 0.16479319 0.57333496 1
| -154.127791 |
2,841 | C-47620-4862-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47547000
_cell_length_b 4.87420000
_cell_length_c 7.23900000
_cell_angle_alpha 79.89335000
_cell_angle_beta 69.98805000
_cell_angle_gamma 59.44904000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 70.67800401
_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 0.41217244 0.61556598 0.89634126 1
C C1 1 0.57059456 0.65370719 0.19842930 1
C C2 1 0.22982893 0.79686605 0.39609552 1
C C3 1 0.16085734 0.14228182 0.62063568 1
C C4 1 0.31227599 0.48923903 0.12136445 1
C C5 1 0.69368250 0.83474018 0.89581345 1
C C6 1 0.76411252 0.48891364 0.67112927 1
C C7 1 0.51161588 0.01571159 0.39556235 1
C C8 1 0.35241004 0.97729698 0.09351296 1
C C9 1 0.17601024 0.65374218 0.59407928 1
C C10 1 0.74904515 -0.02267541 0.69766999 1
C C11 1 0.61080032 0.14181088 0.17044298 1
| -154.267776 |
5,261 | C-157676-6832-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06157000
_cell_length_b 4.28523000
_cell_length_c 4.58611000
_cell_angle_alpha 114.02425000
_cell_angle_beta 92.49202000
_cell_angle_gamma 91.61884000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 72.74422859
_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 0.61584867 0.57256011 0.25188151 1
C C1 1 -0.14225212 0.83943710 0.76280486 1
C C2 1 0.61693662 1.05447492 0.73333794 1
C C3 1 0.85686807 0.54221405 0.46593994 1
C C4 1 0.47084769 0.88862626 0.41660989 1
C C5 1 0.09732745 0.80753005 -0.02310678 1
C C6 1 1.09657424 0.32597398 0.49452326 1
C C7 1 0.21404050 0.01396778 0.29062815 1
C C8 1 0.49949359 0.36641687 0.93765291 1
C C9 1 0.24122378 0.49099097 0.81198173 1
| -154.245824 |
4,348 | C-170333-3244-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49091000
_cell_length_b 4.35280000
_cell_length_c 3.59303000
_cell_angle_alpha 84.30225000
_cell_angle_beta 110.30809000
_cell_angle_gamma 106.61730000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00974286
_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 0.45794080 0.57273083 0.22286266 1
C C1 1 0.89842559 1.19647889 0.48149901 1
C C2 1 0.37528362 0.77849896 0.85282846 1
C C3 1 0.98063934 -0.00927510 0.85253792 1
C C4 1 0.08787003 0.57272573 0.48193332 1
C C5 1 0.26978532 0.19685840 0.22257063 1
| -154.196103 |
9,092 | C-170902-8935-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44314000
_cell_length_b 4.19923000
_cell_length_c 6.30379000
_cell_angle_alpha 73.37479000
_cell_angle_beta 101.15852000
_cell_angle_gamma 89.98262000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 60.69079870
_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 0.66646683 0.71599797 0.80521985 1
C C1 1 0.21137554 0.52357299 0.89537244 1
C C2 1 -0.11553634 0.25211898 0.24955004 1
C C3 1 0.33207483 0.36686250 0.14443229 1
C C4 1 0.19717665 0.19529188 0.85647721 1
C C5 1 0.98544573 -0.00833152 0.45139086 1
C C6 1 0.69227020 0.04253269 0.84680564 1
C C7 1 0.53887865 0.87596101 0.55638026 1
| -154.201933 |
729 | C-136247-3248-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49167000
_cell_length_b 3.59417000
_cell_length_c 4.35165000
_cell_angle_alpha 84.29512000
_cell_angle_beta 106.62623000
_cell_angle_gamma 110.31286000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.01957205
_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 0.44315917 0.95466392 -0.00682609 1
C C1 1 0.63129642 0.95464838 0.36940223 1
C C2 1 0.15499840 0.58401373 0.78750704 1
C C3 1 0.54887796 0.58400420 0.57506026 1
C C4 1 0.26071719 0.21335401 0.36939339 1
C C5 1 0.07257994 0.21336955 0.99316508 1
| -154.196606 |
8,368 | C-91001-799-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.54358000
_cell_length_b 6.28459000
_cell_length_c 6.63250000
_cell_angle_alpha 87.89121000
_cell_angle_beta 97.99202000
_cell_angle_gamma 98.96037000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 103.69939957
_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 0.29230364 0.60115677 0.19754376 1
C C1 1 0.97918442 0.57431261 0.69548707 1
C C2 1 0.34534000 0.22906048 0.68545110 1
C C3 1 0.43486780 0.92937699 0.93423155 1
C C4 1 0.56522436 0.02818166 0.34755678 1
C C5 1 0.98126640 1.02895359 0.02659323 1
C C6 1 0.35766362 -0.01636589 0.71290069 1
C C7 1 0.18386272 0.36133489 0.23552857 1
C C8 1 -0.30099420 0.28377609 0.35440832 1
C C9 1 0.83598094 0.33474837 0.58470463 1
C C10 1 1.02221411 0.79101339 0.59420576 1
C C11 1 0.84587061 0.71731063 0.20488909 1
C C12 1 0.49363186 0.32995014 0.89767324 1
C C13 1 0.50347497 0.69871652 1.00165439 1
C C14 1 0.54637794 0.89336874 0.53876781 1
C C15 1 1.03642386 0.26740728 0.01618689 1
C C16 1 0.99636414 0.95416135 0.23932601 1
C C17 1 0.52250303 0.55711318 0.83049782 1
| -154.111326 |
6,183 | C-113052-6214-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87935000
_cell_length_b 4.50631000
_cell_length_c 4.02021000
_cell_angle_alpha 97.78318000
_cell_angle_beta 104.17367000
_cell_angle_gamma 120.40200000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 55.87286432
_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 0.90475060 0.37543096 0.29265202 1
C C1 1 0.73962603 0.70679287 0.79006144 1
C C2 1 0.48913282 0.20707946 0.04054303 1
C C3 1 0.40478532 0.37540022 0.79262548 1
C C4 1 0.23960106 0.70682709 0.29008870 1
C C5 1 0.65405626 0.87582187 0.54317215 1
C C6 1 0.98913144 0.20710888 0.54058211 1
C C7 1 0.15407967 0.87580644 0.04312898 1
| -154.420873 |
7,620 | C-73669-4812-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51946000
_cell_length_b 3.51719000
_cell_length_c 3.51727000
_cell_angle_alpha 90.00374000
_cell_angle_beta 90.00409000
_cell_angle_gamma 90.00338000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.53891162
_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 0.97077917 0.25152323 -0.04594843 1
C C1 1 0.47077917 0.75152323 -0.04594843 1
C C2 1 0.72061123 0.00166237 0.70340263 1
C C3 1 0.47077917 0.25152323 0.45405157 1
C C4 1 -0.27938877 0.50166237 0.20340263 1
C C5 1 0.22061123 0.00166237 0.20340263 1
C C6 1 0.22061123 0.50166237 0.70340263 1
C C7 1 -0.02922083 0.75152323 0.45405157 1
| -154.543698 |
7,164 | C-50225-6005-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46389000
_cell_length_b 9.10659000
_cell_length_c 7.32616000
_cell_angle_alpha 111.61792000
_cell_angle_beta 109.57704000
_cell_angle_gamma 97.92098000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 137.43147554
_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 1.00002966 0.28040792 0.32752799 1
C C1 1 0.07624159 0.09256217 -0.00014819 1
C C2 1 0.79713297 0.19075395 0.67269623 1
C C3 1 0.69350014 0.75776536 0.78066598 1
C C4 1 0.11406689 0.65823343 0.75128236 1
C C5 1 0.61819628 0.94403531 0.61209826 1
C C6 1 0.22240484 0.65386114 0.36716440 1
C C7 1 0.58965474 0.59566336 0.26324695 1
C C8 1 0.36660508 0.22913637 0.21928468 1
C C9 1 0.38484110 0.29490878 0.70797729 1
C C10 1 0.85955940 -0.01523615 0.33331442 1
C C11 1 0.50373140 1.02010834 0.46045848 1
C C12 1 0.51036333 0.78754248 0.58422158 1
C C13 1 0.61273208 0.92204160 0.11940318 1
C C14 1 0.67605814 0.41814376 -0.06230169 1
C C15 1 0.90900072 0.49524151 0.62961695 1
C C16 1 0.29510245 0.39446119 0.56697500 1
C C17 1 0.30667052 0.47461979 1.04138546 1
C C18 1 -0.00959698 0.91796712 -0.00075595 1
C C19 1 0.87670194 1.09066997 0.80135543 1
| -154.101681 |
8,007 | C-57131-7379-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44333000
_cell_length_b 4.85808000
_cell_length_c 6.36888000
_cell_angle_alpha 110.72832000
_cell_angle_beta 78.99611000
_cell_angle_gamma 120.15181000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 61.12991394
_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 0.64416489 0.53412851 0.39393410 1
C C1 1 0.67785186 0.21316413 0.68994546 1
C C2 1 0.37099356 1.04975212 -0.02159849 1
C C3 1 0.33064736 0.88751434 0.73144478 1
C C4 1 1.08461294 0.42106688 0.28800843 1
C C5 1 0.68123015 0.69321508 0.64159238 1
C C6 1 0.33531012 0.36549601 0.67988046 1
C C7 1 0.93320273 0.16465784 1.08338219 1
| -154.211844 |
3,368 | C-148258-4740-51 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.41150000
_cell_length_b 3.60687000
_cell_length_c 7.13840000
_cell_angle_alpha 107.50158000
_cell_angle_beta 70.31230000
_cell_angle_gamma 110.02714000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 53.70565387
_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 0.36524591 0.47905624 0.04177572 1
C C1 1 0.89087818 1.00261974 0.27421080 1
C C2 1 0.45617270 0.96931420 0.69779766 1
C C3 1 0.28238898 0.06446803 0.91861324 1
C C4 1 0.99982848 0.75832463 1.04488805 1
C C5 1 1.03804154 0.92665727 0.59345230 1
C C6 1 0.12007106 0.41865269 0.25420262 1
C C7 1 0.21494216 0.84095910 0.37003330 1
| -154.065678 |
380 | C-134208-315-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50337000
_cell_length_b 4.28461000
_cell_length_c 4.78133000
_cell_angle_alpha 88.10999000
_cell_angle_beta 81.87504000
_cell_angle_gamma 65.04291000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.00863183
_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 0.78688611 0.06836149 0.01111939 1
C C1 1 0.78947421 0.88263307 0.29427975 1
C C2 1 -0.03058406 0.51383844 0.26540930 1
C C3 1 0.16854954 0.79703067 0.76404706 1
C C4 1 0.16462227 0.98289844 0.48017155 1
C C5 1 0.09051805 0.30958985 0.00678125 1
C C6 1 0.98145190 0.35214302 0.51026716 1
C C7 1 0.86497149 0.55565542 0.76861484 1
| -154.134559 |
6,074 | C-152599-7664-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48186000
_cell_length_b 3.68847000
_cell_length_c 4.89534000
_cell_angle_alpha 66.97661000
_cell_angle_beta 59.50859000
_cell_angle_gamma 70.34215000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.99807294
_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 0.24317379 0.31681972 0.15499250 1
C C1 1 0.55721002 0.83242759 0.58353436 1
C C2 1 0.22711984 0.76215111 0.94856388 1
C C3 1 0.51853451 0.91929280 0.07910597 1
C C4 1 0.54092149 0.27796178 0.37717333 1
C C5 1 0.26719666 0.67612200 0.45228148 1
| -154.309861 |
7,100 | C-130524-1316-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.41285000
_cell_length_b 3.58929000
_cell_length_c 8.82627000
_cell_angle_alpha 99.55686000
_cell_angle_beta 90.13328000
_cell_angle_gamma 69.88763000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 70.65785453
_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 0.83536736 0.20184538 0.34245484 1
C C1 1 0.03385831 0.80618552 0.02312138 1
C C2 1 0.50524135 0.86346039 0.10152577 1
C C3 1 0.86882299 0.13390675 0.51659514 1
C C4 1 0.61938127 0.63404100 0.35890176 1
C C5 1 0.62255219 0.62908426 0.77897687 1
C C6 1 1.09430999 -0.31344151 0.85842320 1
C C7 1 0.45297608 0.96690238 0.27017072 1
C C8 1 0.66682235 0.53639502 0.61239900 1
C C9 1 0.50584301 0.85747992 0.51885013 1
| -154.115775 |
7,791 | C-13939-9611-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49059000
_cell_length_b 3.58828000
_cell_length_c 4.36058000
_cell_angle_alpha 84.29530000
_cell_angle_beta 73.40279000
_cell_angle_gamma 69.70865000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.02889793
_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 0.87538437 0.88180948 0.56521478 1
C C1 1 -0.01961510 0.25220684 0.98351706 1
C C2 1 0.79240538 0.25245741 0.35903556 1
C C3 1 0.27007462 0.88158333 0.77716368 1
C C4 1 0.35134662 0.51195122 0.98333170 1
C C5 1 0.16238471 0.51251732 0.35893033 1
| -154.197858 |
9,465 | C-177250-68-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.53734000
_cell_length_b 5.28588000
_cell_length_c 5.28644000
_cell_angle_alpha 132.47476000
_cell_angle_beta 104.06671000
_cell_angle_gamma 75.95727000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 50.42102901
_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 0.73483248 0.36090439 0.91584764 1
C C1 1 0.15919649 0.93859022 0.34586815 1
C C2 1 -0.00142378 0.07377394 0.16135801 1
C C3 1 -0.12061317 0.69696581 0.53948728 1
C C4 1 -0.12078361 0.37300078 0.21553712 1
C C5 1 1.15892309 0.56629294 -0.02647378 1
C C6 1 0.73517239 0.99623405 0.55116698 1
C C7 1 0.99827111 0.75113537 0.83869510 1
| -154.103174 |
3,278 | C-53836-3159-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48145000
_cell_length_b 3.73846000
_cell_length_c 4.57625000
_cell_angle_alpha 89.86082000
_cell_angle_beta 57.24288000
_cell_angle_gamma 89.97322000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.70162060
_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 -0.17666595 0.51449301 0.88676896 1
C C1 1 1.11904508 0.78158424 0.59093658 1
C C2 1 0.41410613 0.51542671 0.29602625 1
C C3 1 0.32271989 0.27696853 0.88753137 1
C C4 1 0.91325524 0.27826235 0.29714427 1
C C5 1 0.61818811 0.01116206 0.59178087 1
| -154.153263 |
7,558 | C-90796-891-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43242000
_cell_length_b 4.86074000
_cell_length_c 8.54826000
_cell_angle_alpha 81.97277000
_cell_angle_beta 90.04364000
_cell_angle_gamma 120.19723000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 86.21259160
_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 0.76881030 0.32011413 0.44514628 1
C C1 1 0.95218507 0.04010105 0.77656494 1
C C2 1 0.19586436 0.77677927 0.10711515 1
C C3 1 0.61837883 0.70694500 0.77656533 1
C C4 1 0.43547976 0.48731321 0.44454161 1
C C5 1 0.76881030 0.82011413 0.44514628 1
C C6 1 0.95218507 0.54010105 0.77656494 1
C C7 1 0.61837883 0.20694500 0.77656533 1
C C8 1 0.52941813 0.10978489 0.10714340 1
C C9 1 0.52941813 0.60978489 0.10714340 1
C C10 1 0.19586436 0.27677927 0.10711515 1
C C11 1 0.43547976 -0.01268679 0.44454161 1
| -154.458412 |
5,495 | C-72712-3931-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.21847000
_cell_length_b 4.27601000
_cell_length_c 4.79710000
_cell_angle_alpha 78.19640000
_cell_angle_beta 49.25529000
_cell_angle_gamma 101.22850000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.90316303
_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 0.42144959 0.67868927 0.00999606 1
C C1 1 0.80123237 0.67818879 0.62939867 1
C C2 1 0.86260576 0.17690836 0.07176143 1
C C3 1 0.46042445 0.37030971 0.66497530 1
C C4 1 -0.15967587 0.36958464 0.28454396 1
C C5 1 0.39830141 -0.12773946 0.22207529 1
| -154.128654 |
5,684 | C-172951-5413-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.53308000
_cell_length_b 3.86373000
_cell_length_c 7.03747000
_cell_angle_alpha 105.93210000
_cell_angle_beta 110.72938000
_cell_angle_gamma 89.93630000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 61.58907852
_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 0.44958632 0.21399560 0.19295739 1
C C1 1 0.87626883 1.05058796 0.61124784 1
C C2 1 0.50032961 0.60312002 0.73861816 1
C C3 1 0.29776090 0.45627753 0.04247680 1
C C4 1 -0.33853005 0.80797396 0.39652981 1
C C5 1 0.50067840 1.00410945 0.73869198 1
C C6 1 0.66431936 0.38690160 0.90635795 1
C C7 1 0.66103818 0.45973151 0.39666824 1
C C8 1 0.44964415 0.84986468 0.19258904 1
C C9 1 0.87548380 0.42970360 0.61117320 1
| -154.097005 |
3,242 | C-172930-9950-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45442000
_cell_length_b 4.77526000
_cell_length_c 7.03155000
_cell_angle_alpha 82.13219000
_cell_angle_beta 98.14005000
_cell_angle_gamma 100.75389000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 79.63140730
_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 0.15879962 0.99991778 0.47217685 1
C C1 1 0.45113336 0.13674330 0.87025848 1
C C2 1 0.59349365 0.22030035 0.20646847 1
C C3 1 0.76314741 0.66179320 0.92940362 1
C C4 1 1.03203244 0.79098412 0.32101715 1
C C5 1 0.14040127 0.26991027 0.33595811 1
C C6 1 0.65239487 0.65523254 0.70799242 1
C C7 1 -0.28726004 0.96192543 0.59800829 1
C C8 1 0.06825621 0.51192884 0.43113862 1
C C9 1 0.05986911 0.49310242 0.64481208 1
C C10 1 0.36316823 0.83142673 -0.01461750 1
C C11 1 0.91462406 0.18168502 0.74069984 1
C C12 1 -0.38562072 0.35350233 1.00953482 1
C C13 1 0.49545574 0.88808196 0.19842176 1
| -154.193196 |
6,865 | C-136239-2356-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31793000
_cell_length_b 3.51763000
_cell_length_c 3.51796000
_cell_angle_alpha 120.04812000
_cell_angle_beta 89.99757000
_cell_angle_gamma 90.00436000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.54087489
_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 0.66860605 0.41491876 0.26411237 1
C C1 1 0.83653363 0.87839758 0.49581015 1
C C2 1 0.33665488 0.41531998 0.95985109 1
C C3 1 0.16859660 0.87859716 0.19134017 1
C C4 1 0.00299629 0.11072312 -0.04007175 1
C C5 1 0.50297966 0.18316699 0.49587847 1
| -154.409718 |
8,115 | C-73633-586-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.29247000
_cell_length_b 3.29339000
_cell_length_c 7.25525000
_cell_angle_alpha 105.85874000
_cell_angle_beta 74.14586000
_cell_angle_gamma 99.63234000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 72.43239430
_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 0.21848526 0.51363520 0.04130697 1
C C1 1 0.71040323 0.33418978 0.41030310 1
C C2 1 0.10646379 -0.09924133 0.60514677 1
C C3 1 0.13963932 0.59413638 0.72183568 1
C C4 1 0.85547575 0.15138878 0.04148147 1
C C5 1 0.18603418 -0.17999904 -0.07482285 1
C C6 1 0.61403008 0.08218510 0.23623782 1
C C7 1 0.28833581 0.75502949 0.23603688 1
C C8 1 0.77590025 0.22991942 0.72175734 1
C C9 1 0.54890019 0.18239194 0.92498353 1
C C10 1 1.03633228 0.65973290 0.41027078 1
C C11 1 0.46953817 0.26364549 0.60513740 1
| -154.256973 |
3,813 | C-9590-2380-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51358000
_cell_length_b 4.87234000
_cell_length_c 5.83819000
_cell_angle_alpha 86.70496000
_cell_angle_beta 91.08050000
_cell_angle_gamma 89.83392000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 71.36894311
_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 0.83207155 0.51662267 0.29680951 1
C C1 1 0.81573410 1.06065901 0.73472217 1
C C2 1 0.33554755 0.89604211 0.06512980 1
C C3 1 1.32980417 0.59576126 0.14765860 1
C C4 1 0.83856813 0.06608730 0.10835260 1
C C5 1 -0.17502355 0.27455879 0.90275453 1
C C6 1 0.83781976 0.20088162 0.32260739 1
C C7 1 -0.17966062 0.68125394 0.52280730 1
C C8 1 0.32408068 0.44298855 -0.09505624 1
C C9 1 0.32262989 0.90382161 0.80794425 1
C C10 1 0.32219090 0.64470083 0.68325795 1
C C11 1 0.81391674 0.01893140 0.49521564 1
| -154.132169 |
1,375 | C-102901-5226-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.78563000
_cell_length_b 5.37939000
_cell_length_c 4.66326000
_cell_angle_alpha 73.71081000
_cell_angle_beta 81.46547000
_cell_angle_gamma 60.07303000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.12733575
_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 0.59801390 1.00787618 0.16984888 1
C C1 1 0.91355475 0.69101965 0.85394279 1
C C2 1 0.60173380 0.00246175 0.85899796 1
C C3 1 0.36369058 0.24478892 0.61592102 1
C C4 1 0.07563113 0.52992793 0.14426709 1
C C5 1 0.05020375 0.55593795 0.62161394 1
C C6 1 0.36533773 0.23945574 0.30613544 1
C C7 1 0.88794197 0.71750089 0.33134279 1
| -154.155585 |
2,083 | C-152567-8657-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48160000
_cell_length_b 4.21524000
_cell_length_c 3.68951000
_cell_angle_alpha 104.77349000
_cell_angle_beta 70.33613000
_cell_angle_gamma 89.94945000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98246815
_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 0.97916527 0.93799180 -0.00729772 1
C C1 1 1.20384946 0.73152134 0.54718460 1
C C2 1 0.40097092 0.80722096 0.14952872 1
C C3 1 0.52631834 0.43419655 0.90646598 1
C C4 1 0.72321509 0.50967765 0.50885500 1
C C5 1 -0.05202827 0.30342341 1.06327242 1
| -154.308794 |
8,567 | C-106873-5485-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31830000
_cell_length_b 4.70357000
_cell_length_c 5.74545000
_cell_angle_alpha 52.05628000
_cell_angle_beta 54.53071000
_cell_angle_gamma 45.11592000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.35715957
_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 0.64661129 0.84095410 0.55443561 1
C C1 1 0.88573857 0.80934917 0.72755498 1
C C2 1 0.56257210 0.31987992 0.05760439 1
C C3 1 0.95794491 0.18249073 0.57477188 1
C C4 1 0.55595806 0.47835940 0.74093450 1
C C5 1 0.91829508 0.85783172 0.22383337 1
C C6 1 0.58419125 0.63730415 0.07103052 1
C C7 1 -0.06679196 0.49605032 0.24423195 1
| -154.143366 |
578 | C-96680-6628-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06364000
_cell_length_b 2.43153000
_cell_length_c 7.28106000
_cell_angle_alpha 119.99719000
_cell_angle_beta 106.99613000
_cell_angle_gamma 93.39152000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.52013623
_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 0.07895435 -0.01533027 -0.12898028 1
C C1 1 0.08109660 0.65244266 -0.01717585 1
C C2 1 1.07831366 0.98451592 0.53758138 1
C C3 1 1.07988173 0.65222358 0.64933685 1
C C4 1 1.08055306 0.65234054 0.31605692 1
C C5 1 0.07952210 -0.01523474 0.20442667 1
| -154.461743 |
3,703 | C-134191-3585-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35303000
_cell_length_b 4.57223000
_cell_length_c 3.41097000
_cell_angle_alpha 90.63025000
_cell_angle_beta 92.12257000
_cell_angle_gamma 68.57977000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.64736470
_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 0.51491941 0.80435096 0.77909277 1
C C1 1 0.28741429 0.59040109 0.94603675 1
C C2 1 0.59230246 0.98473700 0.12530558 1
C C3 1 0.61283172 0.30557781 0.13646230 1
C C4 1 0.25628162 0.98468261 0.43222580 1
C C5 1 0.95434938 0.58977852 0.61348166 1
C C6 1 0.02692584 0.77917774 0.27923449 1
C C7 1 0.91230549 0.30501207 0.42276975 1
| -154.198449 |
9,307 | C-79946-706-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43555000
_cell_length_b 6.58100000
_cell_length_c 8.42243000
_cell_angle_alpha 103.09792000
_cell_angle_beta 89.99634000
_cell_angle_gamma 89.98949000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 131.48561750
_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 0.85781953 0.00927622 0.51361722 1
C C1 1 0.35839226 0.30128867 0.75894611 1
C C2 1 0.35789697 -0.07594767 0.54962739 1
C C3 1 0.85794889 0.57764184 0.34248015 1
C C4 1 0.35818902 0.71719485 0.14327804 1
C C5 1 0.35797533 0.49790690 0.38453144 1
C C6 1 0.35868148 0.19871447 0.23171294 1
C C7 1 0.85801534 0.68794762 0.21824432 1
C C8 1 0.85861055 0.23178626 0.99054808 1
C C9 1 0.85819150 0.22883066 0.49445362 1
C C10 1 -0.14139452 0.74075537 0.89943934 1
C C11 1 0.35853143 0.26126031 0.91561108 1
C C12 1 0.85836311 0.76731657 0.73976936 1
C C13 1 0.85837145 0.30034509 0.67598509 1
C C14 1 0.35827810 0.80112631 0.66607931 1
C C15 1 0.35826804 0.28292740 0.41277639 1
C C16 1 0.35857940 0.73779073 0.98223120 1
C C17 1 0.85869770 0.19334059 0.14793812 1
| -154.288313 |
7,831 | C-170350-1491-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.56395000
_cell_length_b 2.47935000
_cell_length_c 5.73182000
_cell_angle_alpha 102.44213000
_cell_angle_beta 90.24362000
_cell_angle_gamma 89.97967000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.58069794
_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 0.87650989 0.91949338 0.51024079 1
C C1 1 0.87610558 0.34755075 0.36549169 1
C C2 1 0.37214557 0.69065521 0.05025602 1
C C3 1 0.37368070 0.26811849 0.20503947 1
C C4 1 -0.12850075 1.03673010 0.74524452 1
C C5 1 0.87088290 0.60933997 0.88939481 1
| -154.290001 |
4,710 | C-172928-8845-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46535000
_cell_length_b 3.61456000
_cell_length_c 9.22051000
_cell_angle_alpha 115.78044000
_cell_angle_beta 81.80169000
_cell_angle_gamma 117.73108000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 65.30471808
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.02035500 0.70588391 0.06045299 1
C C1 1 0.22057153 -0.03769001 0.66024132 1
C C2 1 0.44807980 0.62436488 0.28008874 1
C C3 1 0.68003118 0.82591723 0.56367874 1
C C4 1 0.33625798 0.25223248 0.81757297 1
C C5 1 0.56206533 0.84387016 0.15756651 1
C C6 1 0.49211702 0.31821619 0.44188180 1
C C7 1 0.79516411 1.04531656 0.44093063 1
C C8 1 0.75043786 0.35121303 0.27920331 1
C C9 1 -0.09986462 0.41311997 0.90330209 1
| -154.187243 |
7,583 | C-136208-4716-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48400000
_cell_length_b 4.99676000
_cell_length_c 7.29563000
_cell_angle_alpha 139.48147000
_cell_angle_beta 99.76774000
_cell_angle_gamma 89.99794000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.79116110
_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 0.35750872 0.08553381 0.59662683 1
C C1 1 1.07734016 0.46474376 1.04359423 1
C C2 1 0.57019911 0.98397286 1.03183215 1
C C3 1 0.55004053 0.23883914 -0.01040450 1
C C4 1 0.37703267 0.83055054 0.63870010 1
C C5 1 0.21384648 0.94321679 0.31567957 1
C C6 1 -0.01732655 0.72072747 0.85555179 1
C C7 1 0.71219094 1.12623525 0.31269270 1
C C8 1 0.85041322 0.60475477 0.58493838 1
C C9 1 0.94506802 0.34873592 0.77295645 1
| -154.372072 |
2,009 | C-141074-4201-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49426000
_cell_length_b 3.82718000
_cell_length_c 6.86129000
_cell_angle_alpha 77.67924000
_cell_angle_beta 79.61987000
_cell_angle_gamma 109.03466000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.23620471
_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 -0.03128876 0.38249052 0.86290498 1
C C1 1 0.26659880 0.83034022 0.71650434 1
C C2 1 0.13677147 0.37907724 0.52234304 1
C C3 1 0.20208820 0.31990790 0.33639161 1
C C4 1 0.89012334 1.08749975 0.72333415 1
C C5 1 0.37036777 0.31627118 0.99586197 1
C C6 1 0.99039854 0.92527390 0.36059557 1
C C7 1 0.44908275 0.61140632 0.13537771 1
C C8 1 0.34912962 0.77380404 0.49808143 1
C C9 1 0.07290788 0.86864763 0.14222399 1
| -154.070635 |
146 | C-172917-5417-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48175000
_cell_length_b 3.74222000
_cell_length_c 3.84727000
_cell_angle_alpha 89.92876000
_cell_angle_beta 89.94661000
_cell_angle_gamma 90.00453000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.73053232
_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 1.06660053 0.77762071 0.27693171 1
C C1 1 0.56675565 0.27378988 -0.01788544 1
C C2 1 0.06679313 0.51129556 0.98182250 1
C C3 1 0.56663319 1.00709191 0.27724840 1
C C4 1 0.56662319 0.27332195 0.57243940 1
C C5 1 1.06666620 0.51087819 0.57216843 1
| -154.158512 |
3,336 | C-145315-3954-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47409000
_cell_length_b 3.69706000
_cell_length_c 6.25455000
_cell_angle_alpha 75.05287000
_cell_angle_beta 78.54765000
_cell_angle_gamma 89.94595000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 54.09688218
_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 0.52311694 0.83182415 0.41975705 1
C C1 1 -0.04910648 0.86197409 0.56324442 1
C C2 1 0.18120776 0.27967116 0.10377440 1
C C3 1 0.95091397 0.26927862 0.56270793 1
C C4 1 0.85785995 0.48555731 0.74723110 1
C C5 1 0.61420749 0.20812555 0.23749816 1
C C6 1 0.29031930 0.41742739 0.88123615 1
C C7 1 0.52222296 0.42401384 0.42114360 1
| -154.217728 |
8,031 | C-13661-7792-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45409000
_cell_length_b 3.33009000
_cell_length_c 7.90949000
_cell_angle_alpha 111.48821000
_cell_angle_beta 107.47475000
_cell_angle_gamma 69.22256000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 55.14611990
_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 0.06065913 0.75520421 0.30662517 1
C C1 1 1.11335476 1.03064871 0.49545511 1
C C2 1 0.53892238 0.62127600 0.21690691 1
C C3 1 0.63449653 0.16536843 0.58494681 1
C C4 1 0.99155420 0.13991475 0.93007304 1
C C5 1 0.18053337 0.65220813 0.87171220 1
C C6 1 0.46062120 0.38387388 1.02008447 1
C C7 1 0.71109232 0.40766989 0.78152309 1
| -154.188584 |
9,189 | C-80162-1658-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33099000
_cell_length_b 4.61282000
_cell_length_c 8.91458000
_cell_angle_alpha 75.09935000
_cell_angle_beta 79.48632000
_cell_angle_gamma 45.35070000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 94.16970729
_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 0.78372179 0.75281501 0.67564080 1
C C1 1 0.81398397 -0.16251860 0.82262108 1
C C2 1 0.47743342 1.10244810 0.41180764 1
C C3 1 0.47007319 0.42637393 0.31831675 1
C C4 1 0.32387083 0.52593871 0.57999942 1
C C5 1 0.48160876 0.98033643 0.16864763 1
C C6 1 0.81954784 0.58285539 0.96853947 1
C C7 1 0.81933600 0.24302514 -0.03329122 1
C C8 1 0.16636024 1.07614553 0.32606588 1
C C9 1 0.81850032 0.13829491 0.81883939 1
C C10 1 0.15611560 0.64445057 0.16630701 1
C C11 1 0.31949523 0.36150557 0.06751340 1
C C12 1 0.35026499 0.16925268 0.57870350 1
C C13 1 0.31608016 -0.13604636 0.06879046 1
C C14 1 0.15446415 0.75324426 0.41257171 1
C C15 1 0.78297960 0.40274653 0.66626937 1
| -154.176679 |
3,510 | C-193909-3159-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54466000
_cell_length_b 3.54441000
_cell_length_c 7.88260000
_cell_angle_alpha 74.60032000
_cell_angle_beta 69.15797000
_cell_angle_gamma 67.57474000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 84.58374893
_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 0.88090949 0.37232320 0.31991819 1
C C1 1 0.38917722 0.50125410 0.05854676 1
C C2 1 1.00492630 -0.26389940 0.20835222 1
C C3 1 0.26103638 0.25288390 0.82023535 1
C C4 1 0.01008178 0.24108066 0.70834907 1
C C5 1 0.51899106 0.36884374 0.44562379 1
C C6 1 -0.19210767 0.72951877 0.63355989 1
C C7 1 0.69904848 0.75204102 0.98150044 1
C C8 1 0.17915295 0.96822901 0.28570967 1
C C9 1 0.13866622 0.48925439 0.94598964 1
C C10 1 0.59101425 1.01328786 0.13362987 1
C C11 1 0.39486725 0.00623442 0.55847753 1
C C12 1 0.22110893 0.77308419 0.48133908 1
C C13 1 0.69999156 -0.01060087 0.78584822 1
| -154.083411 |
8,916 | C-90841-9811-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47583000
_cell_length_b 4.18357000
_cell_length_c 4.79132000
_cell_angle_alpha 115.85729000
_cell_angle_beta 90.00387000
_cell_angle_gamma 89.99439000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 44.65901585
_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 0.67124573 1.00353838 0.67105487 1
C C1 1 0.67051529 0.63380065 0.67053094 1
C C2 1 0.17111076 0.05606973 0.51585121 1
C C3 1 0.17035170 0.87719672 0.15866937 1
C C4 1 0.16960600 0.24693691 0.15834051 1
C C5 1 0.66967094 0.30038135 1.00409903 1
C C6 1 0.17036468 0.42592509 0.51552979 1
C C7 1 0.67043160 0.66982267 0.00448928 1
| -154.401709 |
4,641 | C-107719-7757-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.36778000
_cell_length_b 2.43258000
_cell_length_c 7.79062000
_cell_angle_alpha 108.41082000
_cell_angle_beta 106.49696000
_cell_angle_gamma 89.65052000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.81866909
_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 1.22042674 0.32367283 0.46031160 1
C C1 1 0.72033968 0.07381379 0.71033793 1
C C2 1 1.05420710 0.73960664 0.37674913 1
C C3 1 0.05407853 0.23966304 0.87676808 1
C C4 1 0.55409811 0.48964509 0.62676518 1
C C5 1 -0.27952733 0.57363773 0.21028428 1
C C6 1 0.22041545 0.82377324 0.96032274 1
C C7 1 0.55421723 0.98955224 0.12672987 1
| -154.443725 |
6,894 | C-145317-4010-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47555000
_cell_length_b 4.84111000
_cell_length_c 6.89220000
_cell_angle_alpha 99.63380000
_cell_angle_beta 100.35254000
_cell_angle_gamma 120.75564000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 66.46188530
_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 0.21808475 0.21922887 0.61526048 1
C C1 1 0.15509813 -0.06143568 0.05075641 1
C C2 1 0.67017577 0.00915160 0.94032713 1
C C3 1 -0.04880534 0.40093027 0.71851715 1
C C4 1 0.87577244 0.54759113 0.27281680 1
C C5 1 0.60944896 0.72963484 0.37666804 1
C C6 1 0.84698167 0.84875328 0.61524281 1
C C7 1 0.78138732 0.56443324 0.05074013 1
C C8 1 0.50627399 0.17850147 0.27287709 1
C C9 1 0.98013260 0.10015356 0.37667546 1
C C10 1 1.04533027 0.38341821 -0.05964470 1
C C11 1 0.31970274 0.76977051 0.71844831 1
| -154.443441 |
8,135 | C-40140-2962-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21169000
_cell_length_b 3.98766000
_cell_length_c 4.57624000
_cell_angle_alpha 82.99785000
_cell_angle_beta 79.72010000
_cell_angle_gamma 71.02371000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 71.34465717
_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 0.42683222 1.01888571 0.40188666 1
C C1 1 0.62714501 0.61676947 1.00392473 1
C C2 1 0.02681750 0.81878939 0.20185441 1
C C3 1 0.82667080 0.21761979 0.60345136 1
C C4 1 0.95990117 0.61965896 0.00201896 1
C C5 1 0.56007088 0.41889744 0.80301050 1
C C6 1 0.15985166 0.22031270 0.60170260 1
C C7 1 0.35960875 0.82172381 0.20000787 1
C C8 1 0.75992881 1.02152717 0.40016824 1
C C9 1 0.22711110 0.41606566 0.80477256 1
| -154.452969 |
9,773 | C-96713-4638-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49070000
_cell_length_b 3.59253000
_cell_length_c 4.35367000
_cell_angle_alpha 84.32333000
_cell_angle_beta 73.41420000
_cell_angle_gamma 69.71622000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.02014931
_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 0.74181916 0.31256219 0.00601546 1
C C1 1 -0.06920883 0.31252043 0.62994845 1
C C2 1 0.30007180 0.57262156 0.63011350 1
C C3 1 0.11242407 0.57235899 1.00593830 1
C C4 1 0.21704683 0.94246797 0.42419766 1
C C5 1 0.82269637 0.94235356 0.21199763 1
| -154.196806 |
2,633 | C-170362-9529-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.57279000
_cell_length_b 7.21436000
_cell_length_c 4.18698000
_cell_angle_alpha 95.76750000
_cell_angle_beta 106.31989000
_cell_angle_gamma 120.38292000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 61.51576607
_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 0.85290320 0.04426420 0.54222593 1
C C1 1 0.58978008 0.45313896 0.73272919 1
C C2 1 0.95073964 0.65457723 0.66122195 1
C C3 1 0.47235192 0.24106634 0.19103481 1
C C4 1 0.39523354 0.85205186 0.27545454 1
C C5 1 0.01111985 0.02044239 -0.10524318 1
C C6 1 0.33599059 -0.12424176 -0.07288564 1
C C7 1 1.01268430 0.64844456 0.33680301 1
C C8 1 0.12105771 0.24856555 0.43254217 1
C C9 1 0.67369099 0.44436077 0.07205462 1
| -154.144374 |
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