Unnamed: 0 int64 2 10.1k | material_id stringlengths 12 16 | cif stringlengths 939 1.86k | energy_per_atom float64 -154.56 -154.07 |
|---|---|---|---|
9,251 | C-130499-1826-36 | # generated using pymatgen
data_C
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6,412 | C-13904-4247-31 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
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3,301 | C-92138-4782-35 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
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4,777 | C-192672-505-73 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
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3,764 | C-193956-5355-22 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
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9,492 | C-176661-8591-28 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
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1,138 | C-177252-751-44 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
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2,373 | C-170900-9651-22 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
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797 | C-130544-211-29 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
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4,936 | C-136247-3248-26 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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5,113 | C-76016-983-23 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
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8,674 | C-170888-2365-32 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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776 | C-141037-8469-46 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
... | -154.309183 |
9,407 | C-157689-1881-41 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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8,451 | C-72730-1850-7 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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156 | C-41262-9862-31 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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774 | C-76050-9799-65 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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8,328 | C-130538-6665-48 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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276 | C-47644-8979-61 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.074333 |
3,973 | C-41262-9862-12 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.198431 |
3,309 | C-130532-5775-40 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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7,596 | C-176689-6597-36 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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2,363 | C-113078-2193-52 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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1,908 | C-152605-7685-1 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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977 | C-142789-7601-3 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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5,535 | C-177264-2024-14 | # generated using pymatgen
data_C
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_cell_length_a 2.47126000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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3,463 | C-9592-5537-24 | # generated using pymatgen
data_C
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_cell_length_a 3.39360000
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_cell_angle_alpha 78.54631000
_cell_angle_beta 101.45376000
_cell_angle_gamma 86.12945000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.32579 |
1,024 | C-104334-7299-44 | # generated using pymatgen
data_C
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_cell_length_a 4.55084000
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_cell_angle_alpha 74.89331000
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_cell_angle_gamma 97.70929000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.226244 |
7,053 | C-92124-4005-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48102000
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_cell_angle_alpha 57.39669000
_cell_angle_beta 75.08440000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.311605 |
8,881 | C-176661-8591-46 | # generated using pymatgen
data_C
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_cell_length_a 2.48158000
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_cell_angle_beta 89.90189000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.309673 |
5,577 | C-72701-1899-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
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_cell_angle_beta 100.36573000
_cell_angle_gamma 88.36475000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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7,859 | C-176679-1286-38 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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2,612 | C-102915-7408-31 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.46037 |
8,770 | C-76008-2415-39 | # generated using pymatgen
data_C
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_cell_angle_beta 100.60575000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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9,096 | C-90796-891-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.200935 |
1,426 | C-96663-8819-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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1,464 | C-96672-9795-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48312000
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_cell_angle_alpha 119.73560000
_cell_angle_beta 90.00217000
_cell_angle_gamma 89.99920000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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2,694 | C-9620-6892-54 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.97913000
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_cell_angle_beta 82.11366000
_cell_angle_gamma 67.72619000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.427201 |
7,011 | C-176685-9184-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.64211000
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_cell_angle_alpha 122.66702000
_cell_angle_beta 67.64276000
_cell_angle_gamma 119.87714000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.120246 |
3,289 | C-73631-2702-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.08656000
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_cell_angle_alpha 82.23913000
_cell_angle_beta 119.85025000
_cell_angle_gamma 108.51357000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.436519 |
3,172 | C-96682-5217-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.66152000
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_cell_angle_alpha 119.97028000
_cell_angle_beta 128.05131000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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8,983 | C-53820-5674-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
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_cell_angle_alpha 90.00153000
_cell_angle_beta 113.90048000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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6,199 | C-157717-1262-39 | # generated using pymatgen
data_C
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_cell_angle_beta 90.02416000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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6,095 | C-176654-3153-49 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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444 | C-9646-232-63 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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1,738 | C-152587-3980-5 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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4,238 | C-177280-5724-23 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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2,200 | C-90811-1769-2 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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2,014 | C-13893-8599-30 | # generated using pymatgen
data_C
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_cell_angle_beta 112.08675000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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7,031 | C-150699-6622-10 | # generated using pymatgen
data_C
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_cell_angle_beta 99.27453000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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4,402 | C-34643-7107-42 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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6,351 | C-157691-3994-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45424000
_cell_length_b 4.47124000
_cell_length_c 7.05104000
_cell_angle_alpha 87.39195000
_cell_angle_beta 80.93604000
_cell_angle_gamma 75.78664000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.107372 |
3,171 | C-80191-3962-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.44032000
_cell_length_b 4.83720000
_cell_length_c 4.25193000
_cell_angle_alpha 90.05547000
_cell_angle_beta 90.06837000
_cell_angle_gamma 134.86614000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.12251 |
5,933 | C-189709-289-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44094000
_cell_length_b 2.54908000
_cell_length_c 7.71005000
_cell_angle_alpha 118.02238000
_cell_angle_beta 73.25978000
_cell_angle_gamma 87.14599000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.074973 |
1,489 | C-170898-6159-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09071000
_cell_length_b 4.85615000
_cell_length_c 4.74049000
_cell_angle_alpha 105.47607000
_cell_angle_beta 106.75225000
_cell_angle_gamma 112.10975000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
... | -154.446448 |
1,859 | C-57133-9728-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43888000
_cell_length_b 4.83125000
_cell_length_c 8.76224000
_cell_angle_alpha 85.06958000
_cell_angle_beta 82.04823000
_cell_angle_gamma 59.65622000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.251485 |
926 | C-73671-1897-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45636000
_cell_length_b 3.66196000
_cell_length_c 6.47468000
_cell_angle_alpha 73.11503000
_cell_angle_beta 79.03665000
_cell_angle_gamma 70.43840000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.286203 |
6,814 | C-172967-546-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47969000
_cell_length_b 3.68914000
_cell_length_c 4.89598000
_cell_angle_alpha 92.80397000
_cell_angle_beta 120.46398000
_cell_angle_gamma 109.61830000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.31644 |
4,548 | C-13919-5282-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49377000
_cell_length_b 5.58591000
_cell_length_c 5.58147000
_cell_angle_alpha 60.34651000
_cell_angle_beta 63.49445000
_cell_angle_gamma 63.50848000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.243904 |
4,385 | C-136210-9760-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07389000
_cell_length_b 2.43105000
_cell_length_c 6.40838000
_cell_angle_alpha 79.30188000
_cell_angle_beta 80.45686000
_cell_angle_gamma 108.55747000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.447861 |
805 | C-176683-1873-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48734000
_cell_length_b 3.51754000
_cell_length_c 4.30524000
_cell_angle_alpha 114.10426000
_cell_angle_beta 106.79830000
_cell_angle_gamma 89.98361000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.545668 |
1,982 | C-152601-7805-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45505000
_cell_length_b 2.53411000
_cell_length_c 6.38348000
_cell_angle_alpha 97.05970000
_cell_angle_beta 90.78107000
_cell_angle_gamma 88.28707000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.077789 |
369 | C-80195-4794-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47344000
_cell_length_b 4.11774000
_cell_length_c 4.28084000
_cell_angle_alpha 90.01627000
_cell_angle_beta 90.02133000
_cell_angle_gamma 90.05664000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.523001 |
3,191 | C-72716-3406-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48133000
_cell_length_b 3.68850000
_cell_length_c 4.21732000
_cell_angle_alpha 104.90405000
_cell_angle_beta 89.96525000
_cell_angle_gamma 109.64933000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.308572 |
4,539 | C-102875-8418-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43219000
_cell_length_b 4.22553000
_cell_length_c 4.81571000
_cell_angle_alpha 97.71599000
_cell_angle_beta 75.39092000
_cell_angle_gamma 106.68976000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.225675 |
4,767 | C-13911-8164-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48163000
_cell_length_b 3.68952000
_cell_length_c 4.84298000
_cell_angle_alpha 122.57435000
_cell_angle_beta 75.10760000
_cell_angle_gamma 109.67241000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.313613 |
5,618 | C-13691-2934-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52723000
_cell_length_b 4.29869000
_cell_length_c 5.39860000
_cell_angle_alpha 121.08768000
_cell_angle_beta 110.98258000
_cell_angle_gamma 84.94964000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.068159 |
7,885 | C-136247-3248-43 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47711000
_cell_length_b 2.47756000
_cell_length_c 6.77864000
_cell_angle_alpha 89.98554000
_cell_angle_beta 111.41276000
_cell_angle_gamma 120.04054000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.533124 |
4,859 | C-176685-9184-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.70520000
_cell_length_b 4.31972000
_cell_length_c 4.81317000
_cell_angle_alpha 109.30314000
_cell_angle_beta 88.80719000
_cell_angle_gamma 122.94162000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.109718 |
681 | C-28264-8801-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39822000
_cell_length_b 4.26598000
_cell_length_c 5.94355000
_cell_angle_alpha 108.59142000
_cell_angle_beta 112.23788000
_cell_angle_gamma 120.87945000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
... | -154.140354 |
9,792 | C-189748-4840-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.82869000
_cell_length_b 3.62617000
_cell_length_c 4.81526000
_cell_angle_alpha 67.88668000
_cell_angle_beta 87.91960000
_cell_angle_gamma 95.63861000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.144134 |
7,983 | C-172971-7940-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.99226000
_cell_length_b 4.21033000
_cell_length_c 4.20638000
_cell_angle_alpha 119.96836000
_cell_angle_beta 80.80990000
_cell_angle_gamma 113.55317000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.425517 |
3,008 | C-157715-9420-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45251000
_cell_length_b 5.76904000
_cell_length_c 4.11436000
_cell_angle_alpha 51.52309000
_cell_angle_beta 90.05447000
_cell_angle_gamma 101.93249000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.180409 |
8,988 | C-40100-7984-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47770000
_cell_length_b 2.47796000
_cell_length_c 6.31085000
_cell_angle_alpha 89.99148000
_cell_angle_beta 101.32183000
_cell_angle_gamma 120.02739000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.526989 |
3,208 | C-126136-4977-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48272000
_cell_length_b 3.78278000
_cell_length_c 7.99338000
_cell_angle_alpha 109.52079000
_cell_angle_beta 108.07398000
_cell_angle_gamma 89.93674000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.095733 |
6,656 | C-40134-7379-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48175000
_cell_length_b 4.84618000
_cell_length_c 3.69051000
_cell_angle_alpha 57.31910000
_cell_angle_beta 70.34600000
_cell_angle_gamma 75.21913000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.312367 |
8,914 | C-56495-4082-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50862000
_cell_length_b 4.28939000
_cell_length_c 5.06301000
_cell_angle_alpha 79.65819000
_cell_angle_beta 111.01867000
_cell_angle_gamma 115.18573000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.130061 |
257 | C-145340-6787-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47451000
_cell_length_b 4.28168000
_cell_length_c 4.80552000
_cell_angle_alpha 116.48150000
_cell_angle_beta 104.91835000
_cell_angle_gamma 90.01009000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.527371 |
5,778 | C-107717-3127-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42760000
_cell_length_b 4.79968000
_cell_length_c 6.38069000
_cell_angle_alpha 77.77364000
_cell_angle_beta 92.87337000
_cell_angle_gamma 55.08525000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.466786 |
9,514 | C-107717-3127-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83862000
_cell_length_b 4.75310000
_cell_length_c 4.91688000
_cell_angle_alpha 117.87696000
_cell_angle_beta 85.09085000
_cell_angle_gamma 118.38205000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.273483 |
5,486 | C-157691-3994-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46671000
_cell_length_b 3.38116000
_cell_length_c 5.24880000
_cell_angle_alpha 89.19435000
_cell_angle_beta 89.90303000
_cell_angle_gamma 111.23058000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.160771 |
8,409 | C-189700-5976-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48107000
_cell_length_b 3.68928000
_cell_length_c 4.21691000
_cell_angle_alpha 104.81997000
_cell_angle_beta 89.94189000
_cell_angle_gamma 109.64361000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.308633 |
8,571 | C-96684-2672-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43223000
_cell_length_b 3.00807000
_cell_length_c 6.40374000
_cell_angle_alpha 86.18147000
_cell_angle_beta 79.30034000
_cell_angle_gamma 108.91548000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.434993 |
7,124 | C-141043-2496-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79959000
_cell_length_b 2.46392000
_cell_length_c 8.64186000
_cell_angle_alpha 73.50988000
_cell_angle_beta 57.98700000
_cell_angle_gamma 71.09409000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.217487 |
7,637 | C-80155-5756-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45636000
_cell_length_b 3.66418000
_cell_length_c 6.97166000
_cell_angle_alpha 113.56481000
_cell_angle_beta 110.60801000
_cell_angle_gamma 70.43198000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.284243 |
664 | C-53818-5632-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42250000
_cell_length_b 4.17024000
_cell_length_c 4.82289000
_cell_angle_alpha 94.34985000
_cell_angle_beta 119.94846000
_cell_angle_gamma 89.67668000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.236034 |
4,623 | C-40091-1213-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48021000
_cell_length_b 3.68863000
_cell_length_c 4.21763000
_cell_angle_alpha 75.21604000
_cell_angle_beta 89.99223000
_cell_angle_gamma 70.33647000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.307399 |
9,524 | C-172941-6659-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42550000
_cell_length_b 4.85187000
_cell_length_c 6.35485000
_cell_angle_alpha 41.41342000
_cell_angle_beta 67.69740000
_cell_angle_gamma 60.08476000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.296563 |
8,337 | C-152591-5216-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45594000
_cell_length_b 4.49886000
_cell_length_c 7.10749000
_cell_angle_alpha 93.62258000
_cell_angle_beta 79.96008000
_cell_angle_gamma 105.97858000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.120229 |
6,414 | C-28230-7089-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35885000
_cell_length_b 3.38886000
_cell_length_c 4.83168000
_cell_angle_alpha 84.65687000
_cell_angle_beta 59.62380000
_cell_angle_gamma 65.49027000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.085958 |
7,646 | C-57111-4456-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.56905000
_cell_length_b 4.94550000
_cell_length_c 7.62331000
_cell_angle_alpha 89.98828000
_cell_angle_beta 89.35966000
_cell_angle_gamma 90.00717000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.223016 |
5,413 | C-34627-4459-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34027000
_cell_length_b 3.70003000
_cell_length_c 4.81909000
_cell_angle_alpha 102.38703000
_cell_angle_beta 89.21737000
_cell_angle_gamma 127.20494000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.084481 |
5,703 | C-40128-4097-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47853000
_cell_length_b 2.47814000
_cell_length_c 6.77783000
_cell_angle_alpha 68.56487000
_cell_angle_beta 68.54572000
_cell_angle_gamma 59.97219000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.527101 |
9,237 | C-107734-9364-54 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52326000
_cell_length_b 4.45463000
_cell_length_c 4.30678000
_cell_angle_alpha 76.91974000
_cell_angle_beta 85.32772000
_cell_angle_gamma 97.58778000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.094989 |
7,553 | C-47642-4937-56 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44720000
_cell_length_b 6.56128000
_cell_length_c 7.58442000
_cell_angle_alpha 76.82001000
_cell_angle_beta 107.58771000
_cell_angle_gamma 105.51520000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.068704 |
1,743 | C-92160-9421-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45461000
_cell_length_b 4.77572000
_cell_length_c 7.02800000
_cell_angle_alpha 82.20500000
_cell_angle_beta 81.87030000
_cell_angle_gamma 79.30428000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.194119 |
7,987 | C-172961-4783-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41493000
_cell_length_b 3.41632000
_cell_length_c 5.41215000
_cell_angle_alpha 98.86821000
_cell_angle_beta 98.83194000
_cell_angle_gamma 93.90800000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.092769 |
8,021 | C-28224-863-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46318000
_cell_length_b 3.79861000
_cell_length_c 7.36945000
_cell_angle_alpha 90.12669000
_cell_angle_beta 80.38326000
_cell_angle_gamma 108.93463000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.213322 |
2,506 | C-28232-5757-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43212000
_cell_length_b 4.25366000
_cell_length_c 4.30464000
_cell_angle_alpha 82.95722000
_cell_angle_beta 80.00516000
_cell_angle_gamma 83.81943000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.449133 |
7,632 | C-56475-1508-55 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48420000
_cell_length_b 3.82362000
_cell_length_c 5.98137000
_cell_angle_alpha 59.64675000
_cell_angle_beta 78.04467000
_cell_angle_gamma 71.03316000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.221988 |
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