Unnamed: 0 int64 2 10.1k | material_id stringlengths 12 16 | cif stringlengths 939 1.86k | energy_per_atom float64 -154.56 -154.07 |
|---|---|---|---|
1,214 | C-136210-9760-15 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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5,669 | C-141063-6212-2 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.246391 |
3,126 | C-193922-5339-23 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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3,810 | C-113056-5626-48 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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9,974 | C-170882-2973-34 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.166133 |
6,637 | C-53840-4050-28 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.255976 |
5,936 | C-101107-3285-59 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.198643 |
7,213 | C-90800-1393-35 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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3,983 | C-172914-2327-14 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
... | -154.139588 |
6,878 | C-170908-5383-27 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.358431 |
2,498 | C-56485-2380-44 | # generated using pymatgen
data_C
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_cell_length_a 2.52300000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.096704 |
5,219 | C-101121-514-62 | # generated using pymatgen
data_C
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_cell_length_a 2.50130000
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_cell_angle_beta 107.39054000
_cell_angle_gamma 99.85409000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.221589 |
5,777 | C-57120-3338-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46412000
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_cell_angle_alpha 91.87963000
_cell_angle_beta 82.66266000
_cell_angle_gamma 97.02290000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.077915 |
8,809 | C-40102-7970-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47543000
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_cell_angle_beta 89.98737000
_cell_angle_gamma 89.95450000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.286586 |
7,886 | C-137399-7235-5 | # generated using pymatgen
data_C
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_cell_length_a 2.47956000
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_cell_angle_beta 111.61293000
_cell_angle_gamma 90.03826000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.176183 |
8,538 | C-170908-5383-14 | # generated using pymatgen
data_C
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.234978 |
6,174 | C-34631-1494-53 | # generated using pymatgen
data_C
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_cell_length_a 2.50848000
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_cell_angle_alpha 97.96410000
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_cell_angle_gamma 111.56014000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.124619 |
9,947 | C-57137-3912-36 | # generated using pymatgen
data_C
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_cell_length_a 2.42896000
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_cell_angle_gamma 89.93005000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.24644 |
2,364 | C-130540-5836-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.79550000
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_cell_angle_beta 54.65257000
_cell_angle_gamma 56.40810000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.127122 |
8,061 | C-176635-5996-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46200000
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_cell_angle_alpha 115.23306000
_cell_angle_beta 79.28260000
_cell_angle_gamma 101.58422000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.208051 |
3,374 | C-40140-2962-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48065000
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_cell_angle_alpha 65.65293000
_cell_angle_beta 89.98686000
_cell_angle_gamma 89.99052000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.339666 |
2,260 | C-193930-7354-10 | # generated using pymatgen
data_C
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_cell_length_a 2.67864000
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_cell_angle_gamma 123.06429000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.081883 |
3,780 | C-107760-8155-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.53149000
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_cell_angle_alpha 89.98522000
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_cell_angle_gamma 74.02886000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.263 |
5,950 | C-170333-3244-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51487000
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_cell_angle_alpha 90.02993000
_cell_angle_beta 114.41280000
_cell_angle_gamma 90.00272000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.136592 |
4,709 | C-134173-4385-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48729000
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_cell_angle_gamma 59.97544000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.540623 |
1,288 | C-40126-7915-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46146000
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_cell_angle_alpha 109.99007000
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_cell_angle_gamma 111.30111000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
... | -154.162655 |
4,418 | C-130534-5496-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43944000
_cell_length_b 4.22629000
_cell_length_c 6.52853000
_cell_angle_alpha 90.01494000
_cell_angle_beta 79.24906000
_cell_angle_gamma 89.98962000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.255122 |
4,437 | C-142757-9743-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43115000
_cell_length_b 4.65586000
_cell_length_c 5.81552000
_cell_angle_alpha 114.04433000
_cell_angle_beta 90.19185000
_cell_angle_gamma 104.93033000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.454519 |
8,138 | C-126181-8319-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48185000
_cell_length_b 3.68980000
_cell_length_c 4.84124000
_cell_angle_alpha 57.44446000
_cell_angle_beta 75.06571000
_cell_angle_gamma 70.30740000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.313755 |
8,520 | C-53804-8031-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45040000
_cell_length_b 5.96605000
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_cell_angle_alpha 56.68404000
_cell_angle_beta 63.47186000
_cell_angle_gamma 65.90344000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.213998 |
4,122 | C-170920-9068-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42990000
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_cell_angle_alpha 106.38349000
_cell_angle_beta 90.05837000
_cell_angle_gamma 120.90488000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.440108 |
6,937 | C-76030-274-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47113000
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_cell_length_c 8.47187000
_cell_angle_alpha 73.28000000
_cell_angle_beta 73.04573000
_cell_angle_gamma 89.98193000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.255125 |
481 | C-152591-5216-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43008000
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_cell_angle_alpha 84.99956000
_cell_angle_beta 98.32270000
_cell_angle_gamma 120.02618000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.455358 |
6,266 | C-28256-8272-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46118000
_cell_length_b 4.22086000
_cell_length_c 5.56647000
_cell_angle_alpha 98.92299000
_cell_angle_beta 90.53700000
_cell_angle_gamma 90.68285000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.071221 |
5,115 | C-142755-3271-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48816000
_cell_length_b 4.30407000
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_cell_angle_alpha 99.59288000
_cell_angle_beta 73.20169000
_cell_angle_gamma 90.01925000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.542918 |
3,105 | C-176663-4376-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.41346000
_cell_length_b 3.57933000
_cell_length_c 8.92088000
_cell_angle_alpha 89.26546000
_cell_angle_beta 74.36503000
_cell_angle_gamma 70.16975000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.104826 |
4,911 | C-102875-8418-57 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44122000
_cell_length_b 7.97007000
_cell_length_c 5.72520000
_cell_angle_alpha 88.78524000
_cell_angle_beta 89.92421000
_cell_angle_gamma 98.82870000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.069986 |
3,645 | C-92154-4888-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47928000
_cell_length_b 3.87923000
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_cell_angle_alpha 107.58801000
_cell_angle_beta 101.16582000
_cell_angle_gamma 89.99590000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.296113 |
4,345 | C-177284-4704-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81522000
_cell_length_b 3.82041000
_cell_length_c 4.11676000
_cell_angle_alpha 111.45977000
_cell_angle_beta 99.19160000
_cell_angle_gamma 86.58679000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.142927 |
2,335 | C-28230-7089-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51370000
_cell_length_b 4.18689000
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_cell_angle_alpha 109.78722000
_cell_angle_beta 107.46476000
_cell_angle_gamma 107.43592000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
... | -154.232316 |
2,007 | C-176646-2657-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52015000
_cell_length_b 4.96507000
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_cell_angle_alpha 120.59370000
_cell_angle_beta 76.33342000
_cell_angle_gamma 108.01892000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.073579 |
7,533 | C-157687-9066-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96593000
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_cell_length_c 5.70375000
_cell_angle_alpha 93.58388000
_cell_angle_beta 74.06510000
_cell_angle_gamma 134.63040000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.24613 |
2,573 | C-126161-9940-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51703000
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_cell_angle_alpha 106.79196000
_cell_angle_beta 114.10827000
_cell_angle_gamma 90.01720000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.5481 |
8,889 | C-142740-3180-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45776000
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_cell_angle_alpha 107.20100000
_cell_angle_beta 74.55446000
_cell_angle_gamma 89.63047000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.067548 |
7,574 | C-126149-3704-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48105000
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_cell_angle_alpha 104.78392000
_cell_angle_beta 109.64222000
_cell_angle_gamma 89.97405000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.308954 |
3,047 | C-172953-2094-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.53643000
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_cell_angle_alpha 78.47618000
_cell_angle_beta 113.09630000
_cell_angle_gamma 90.03473000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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2,972 | C-28224-863-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
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_cell_angle_beta 78.09681000
_cell_angle_gamma 68.74596000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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8,960 | C-106065-6878-70 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33091000
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_cell_angle_alpha 89.25933000
_cell_angle_beta 94.36513000
_cell_angle_gamma 104.79262000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.084154 |
9,894 | C-72754-2980-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43021000
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_cell_angle_alpha 81.76295000
_cell_angle_beta 88.35013000
_cell_angle_gamma 59.97294000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.466722 |
5,175 | C-193920-1389-54 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69006000
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_cell_angle_alpha 75.22855000
_cell_angle_beta 57.33363000
_cell_angle_gamma 70.33994000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.31256 |
7,129 | C-176644-8612-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45866000
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_cell_angle_alpha 71.88326000
_cell_angle_beta 78.13412000
_cell_angle_gamma 111.24126000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
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6,623 | C-184046-597-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47234000
_cell_length_b 3.76589000
_cell_length_c 7.26635000
_cell_angle_alpha 84.45960000
_cell_angle_beta 99.80308000
_cell_angle_gamma 89.97689000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.070046 |
7,566 | C-113036-345-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44217000
_cell_length_b 4.19331000
_cell_length_c 6.54105000
_cell_angle_alpha 109.27958000
_cell_angle_beta 100.73405000
_cell_angle_gamma 90.03036000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.227544 |
6,846 | C-40095-5757-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46682000
_cell_length_b 3.37929000
_cell_length_c 5.79367000
_cell_angle_alpha 81.15173000
_cell_angle_beta 115.21132000
_cell_angle_gamma 111.36323000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.158787 |
3,858 | C-170376-6835-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68937000
_cell_length_b 2.47953000
_cell_length_c 4.89505000
_cell_angle_alpha 59.52664000
_cell_angle_beta 92.80300000
_cell_angle_gamma 70.37589000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.315582 |
6,186 | C-177264-2024-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48614000
_cell_length_b 4.14736000
_cell_length_c 6.67679000
_cell_angle_alpha 78.62131000
_cell_angle_beta 89.99278000
_cell_angle_gamma 90.00139000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.398288 |
2,835 | C-76026-3583-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48347000
_cell_length_b 4.72100000
_cell_length_c 6.27236000
_cell_angle_alpha 100.46576000
_cell_angle_beta 101.42754000
_cell_angle_gamma 105.24693000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
... | -154.419223 |
5,316 | C-170904-2880-62 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.56202000
_cell_length_b 4.16141000
_cell_length_c 5.99293000
_cell_angle_alpha 89.98500000
_cell_angle_beta 50.17606000
_cell_angle_gamma 89.97856000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.271039 |
1,087 | C-96665-6528-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51445000
_cell_length_b 4.18760000
_cell_length_c 4.18711000
_cell_angle_alpha 109.80096000
_cell_angle_beta 107.41989000
_cell_angle_gamma 107.43918000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
... | -154.234728 |
5,435 | C-184068-6075-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.96495000
_cell_length_b 3.61320000
_cell_length_c 4.84416000
_cell_angle_alpha 74.80636000
_cell_angle_beta 71.64561000
_cell_angle_gamma 100.09478000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.137624 |
3,927 | C-172949-8358-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26517000
_cell_length_b 3.28092000
_cell_length_c 3.63424000
_cell_angle_alpha 104.59729000
_cell_angle_beta 104.54293000
_cell_angle_gamma 80.79476000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.206429 |
14 | C-136235-2385-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.79923000
_cell_length_b 4.82358000
_cell_length_c 5.03031000
_cell_angle_alpha 126.83590000
_cell_angle_beta 110.67204000
_cell_angle_gamma 98.85442000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.135209 |
9,313 | C-176661-8591-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27037000
_cell_length_b 3.27391000
_cell_length_c 3.63431000
_cell_angle_alpha 75.41568000
_cell_angle_beta 75.43995000
_cell_angle_gamma 80.81259000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.202811 |
6,314 | C-130215-2506-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48750000
_cell_length_b 6.36557000
_cell_length_c 8.82704000
_cell_angle_alpha 70.04477000
_cell_angle_beta 73.76188000
_cell_angle_gamma 80.52952000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.144747 |
1,838 | C-90856-6520-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45644000
_cell_length_b 3.66482000
_cell_length_c 6.47116000
_cell_angle_alpha 73.56744000
_cell_angle_beta 79.06637000
_cell_angle_gamma 70.40821000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.2888 |
1,446 | C-96694-8817-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47870000
_cell_length_b 3.68916000
_cell_length_c 4.89450000
_cell_angle_alpha 92.88886000
_cell_angle_beta 120.43646000
_cell_angle_gamma 109.64421000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.31192 |
5,832 | C-113036-345-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42468000
_cell_length_b 3.55777000
_cell_length_c 7.92468000
_cell_angle_alpha 80.20941000
_cell_angle_beta 111.39203000
_cell_angle_gamma 74.01210000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.391249 |
741 | C-80195-4794-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43292000
_cell_length_b 6.41278000
_cell_length_c 5.74726000
_cell_angle_alpha 92.98528000
_cell_angle_beta 96.54717000
_cell_angle_gamma 101.02142000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.454383 |
6,346 | C-184082-7687-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32115000
_cell_length_b 3.35912000
_cell_length_c 8.69665000
_cell_angle_alpha 81.51142000
_cell_angle_beta 110.94574000
_cell_angle_gamma 83.01965000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.180489 |
332 | C-189713-5516-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41031000
_cell_length_b 3.81654000
_cell_length_c 4.04338000
_cell_angle_alpha 104.33446000
_cell_angle_beta 99.76917000
_cell_angle_gamma 60.05111000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.116229 |
1,849 | C-40112-2876-53 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43001000
_cell_length_b 2.43001000
_cell_length_c 8.48015000
_cell_angle_alpha 99.13821000
_cell_angle_beta 82.13329000
_cell_angle_gamma 120.01718000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.45524 |
2,279 | C-130507-2037-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48112000
_cell_length_b 3.68740000
_cell_length_c 4.22065000
_cell_angle_alpha 74.98803000
_cell_angle_beta 90.01506000
_cell_angle_gamma 109.65368000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.310501 |
1,572 | C-145343-7716-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05456000
_cell_length_b 4.84944000
_cell_length_c 4.64551000
_cell_angle_alpha 58.88267000
_cell_angle_beta 74.97776000
_cell_angle_gamma 90.52130000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.411061 |
1,268 | C-142771-2182-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47951000
_cell_length_b 2.47965000
_cell_length_c 8.30017000
_cell_angle_alpha 98.56240000
_cell_angle_beta 81.43147000
_cell_angle_gamma 120.02108000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.528533 |
6,450 | C-136239-2356-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42570000
_cell_length_b 4.21363000
_cell_length_c 4.21520000
_cell_angle_alpha 89.78669000
_cell_angle_beta 90.02733000
_cell_angle_gamma 89.98456000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.31059 |
4,510 | C-142785-5183-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.58466000
_cell_length_b 4.82485000
_cell_length_c 7.13160000
_cell_angle_alpha 67.31283000
_cell_angle_beta 71.69675000
_cell_angle_gamma 106.25090000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.089751 |
6,684 | C-141049-5998-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11432000
_cell_length_b 4.35939000
_cell_length_c 5.88610000
_cell_angle_alpha 93.38006000
_cell_angle_beta 99.80143000
_cell_angle_gamma 111.83463000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.128637 |
6,170 | C-41278-5784-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48125000
_cell_length_b 3.68929000
_cell_length_c 4.84195000
_cell_angle_alpha 111.54256000
_cell_angle_beta 104.80574000
_cell_angle_gamma 109.67007000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
... | -154.310554 |
415 | C-90839-8747-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43107000
_cell_length_b 2.60782000
_cell_length_c 9.07777000
_cell_angle_alpha 110.25683000
_cell_angle_beta 100.55692000
_cell_angle_gamma 84.59014000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.109354 |
9,138 | C-28242-4049-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46617000
_cell_length_b 3.38587000
_cell_length_c 5.25753000
_cell_angle_alpha 91.21669000
_cell_angle_beta 89.98944000
_cell_angle_gamma 68.68133000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.163474 |
6,727 | C-76036-7014-60 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43082000
_cell_length_b 3.15654000
_cell_length_c 8.87710000
_cell_angle_alpha 112.07397000
_cell_angle_beta 89.71632000
_cell_angle_gamma 113.05548000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.452441 |
8,295 | C-152565-20-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45432000
_cell_length_b 4.58833000
_cell_length_c 7.75518000
_cell_angle_alpha 70.81458000
_cell_angle_beta 87.78984000
_cell_angle_gamma 75.95805000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.093441 |
10,105 | C-134201-7830-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42899000
_cell_length_b 6.21631000
_cell_length_c 4.15404000
_cell_angle_alpha 72.47553000
_cell_angle_beta 89.91076000
_cell_angle_gamma 78.77849000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.246374 |
7,671 | C-92142-9665-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48761000
_cell_length_b 3.51554000
_cell_length_c 4.30430000
_cell_angle_alpha 65.90901000
_cell_angle_beta 73.20565000
_cell_angle_gamma 90.00141000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.545787 |
6,965 | C-145389-5770-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50631000
_cell_length_b 3.94702000
_cell_length_c 4.78083000
_cell_angle_alpha 86.84644000
_cell_angle_beta 81.67479000
_cell_angle_gamma 79.88224000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.13096 |
3,211 | C-136237-3205-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48155000
_cell_length_b 3.68799000
_cell_length_c 4.21888000
_cell_angle_alpha 75.05782000
_cell_angle_beta 90.08282000
_cell_angle_gamma 109.64227000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.310444 |
6,604 | C-152585-9341-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18545000
_cell_length_b 4.19399000
_cell_length_c 6.07806000
_cell_angle_alpha 111.67066000
_cell_angle_beta 107.02729000
_cell_angle_gamma 80.97261000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.247177 |
3,210 | C-41318-6901-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48119000
_cell_length_b 3.68751000
_cell_length_c 4.22211000
_cell_angle_alpha 74.96073000
_cell_angle_beta 89.95237000
_cell_angle_gamma 70.35677000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.311567 |
5,144 | C-170329-7952-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46522000
_cell_length_b 3.37356000
_cell_length_c 6.20582000
_cell_angle_alpha 122.46752000
_cell_angle_beta 78.86268000
_cell_angle_gamma 111.15471000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.154256 |
5,866 | C-102883-8617-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48100000
_cell_length_b 4.61561000
_cell_length_c 3.44666000
_cell_angle_alpha 90.08532000
_cell_angle_beta 94.76675000
_cell_angle_gamma 68.41298000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.121834 |
7,335 | C-170912-4239-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.53353000
_cell_length_b 5.05470000
_cell_length_c 3.76683000
_cell_angle_alpha 89.93104000
_cell_angle_beta 89.91889000
_cell_angle_gamma 90.12959000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.123446 |
1,756 | C-72718-9015-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45819000
_cell_length_b 4.58711000
_cell_length_c 7.65468000
_cell_angle_alpha 75.80016000
_cell_angle_beta 77.87227000
_cell_angle_gamma 76.76261000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.128241 |
1,907 | C-184076-5045-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48322000
_cell_length_b 3.74177000
_cell_length_c 3.84478000
_cell_angle_alpha 90.06198000
_cell_angle_beta 90.00392000
_cell_angle_gamma 90.02350000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.15912 |
5,021 | C-80155-5756-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48735000
_cell_length_b 4.05963000
_cell_length_c 4.69749000
_cell_angle_alpha 105.94197000
_cell_angle_beta 89.96890000
_cell_angle_gamma 90.00118000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.363509 |
9,852 | C-184066-1258-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42700000
_cell_length_b 4.23148000
_cell_length_c 6.27781000
_cell_angle_alpha 129.09414000
_cell_angle_beta 112.77140000
_cell_angle_gamma 89.99089000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | -154.305356 |
3,398 | C-80188-9960-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11194000
_cell_length_b 3.40078000
_cell_length_c 4.78702000
_cell_angle_alpha 77.36989000
_cell_angle_beta 44.08588000
_cell_angle_gamma 78.52768000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.326199 |
5,087 | C-13921-7340-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57470000
_cell_length_b 3.87883000
_cell_length_c 4.24665000
_cell_angle_alpha 87.23947000
_cell_angle_beta 87.67449000
_cell_angle_gamma 73.92604000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.192229 |
1,462 | C-172945-2721-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48130000
_cell_length_b 4.21689000
_cell_length_c 3.68918000
_cell_angle_alpha 75.21690000
_cell_angle_beta 109.64488000
_cell_angle_gamma 90.05741000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.310153 |
3,597 | C-47646-615-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.36454000
_cell_length_b 3.36457000
_cell_length_c 6.94127000
_cell_angle_alpha 99.57018000
_cell_angle_beta 112.04699000
_cell_angle_gamma 83.34803000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_c... | -154.198455 |
9,001 | C-150717-6846-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49235000
_cell_length_b 6.77607000
_cell_length_c 6.12635000
_cell_angle_alpha 88.04442000
_cell_angle_beta 81.52232000
_cell_angle_gamma 85.50854000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_ch... | -154.164103 |
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