positions listlengths 3 180 | cell listlengths 9 9 | atomic_numbers listlengths 1 60 | pbc listlengths 3 3 | material_id stringlengths 4 18 | reduced_formula stringlengths 1 18 | space_group stringclasses 174
values | chemical_system stringlengths 1 19 | num_sites int64 1 20 | cif stringlengths 689 3.84k | energy_above_hull float64 0 0.1 | dft_band_gap float64 0 9.72 ⌀ | dft_bulk_modulus float64 0.54 401 ⌀ | dft_mag_density float64 -0.18 0.23 ⌀ | hhi_score float64 0 9.1k | ml_bulk_modulus float64 1.13 399 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
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83,
83
] | [
1,
1,
1
] | alex<agm003401110> | Li2CaBi2 | C2/m | Bi-Ca-Li | 5 | # generated using pymatgen
data_Li2CaBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95823816
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3,
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83
] | [
1,
1,
1
] | alex<agm001142402> | LiCaBi2 | P4/mmm | Bi-Ca-Li | 4 | # generated using pymatgen
data_LiCaBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57091990
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3,
20,
83,
83
] | [
1,
1,
1
] | alex<agm001211457> | LiCaBi2 | P4/mmm | Bi-Ca-Li | 4 | # generated using pymatgen
data_LiCaBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50529979
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20,
20,
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83,
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83,
83,
83,
83
] | [
1,
1,
1
] | alex<agm003698171> | Li(Ca4Bi3)2 | R-3 | Bi-Ca-Li | 15 | # generated using pymatgen
data_Li(Ca4Bi3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.70182946
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20,
20,
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83,
83
] | [
1,
1,
1
] | alex<agm003328035> | Li2(CaBi)3 | I4/mmm | Bi-Ca-Li | 8 | # generated using pymatgen
data_Li2(CaBi)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57955012
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_symmetry_Int_Tables_number 1
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3,
3,
3,
20,
83,
83
] | [
1,
1,
1
] | alex<agm002156902> | Li3CaBi2 | P-3m1 | Bi-Ca-Li | 6 | # generated using pymatgen
data_Li3CaBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79373757
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_symmetry_Int_Tables_number 1
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52,
52,
52,
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52,
52,
52,
52
] | [
1,
1,
1
] | mp-616481 | NbFeTe2 | Pmna | Fe-Nb-Te | 16 | # generated using pymatgen
data_NbFeTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.33928226
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57,
12,
12,
30,
30,
30
] | [
1,
1,
1
] | alex<agm002286631> | LaMg2Zn3 | P6/mmm | La-Mg-Zn | 6 | # generated using pymatgen
data_LaMg2Zn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52646578
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_cell_angle_alpha 120.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.084757 | null | null | 0.00001 | 2,157.028012 | 57.867039 |
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0.088086795462770... | [
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26,
26,
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52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm002150430> | NbFeTe2 | P2_1/c | Fe-Nb-Te | 16 | # generated using pymatgen
data_NbFeTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.34640598
_cell_length_b 8.05131447
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_cell_angle_alpha 116.13985132
_cell_angle_beta 90.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.007136 | null | null | 0.018677 | 5,313.112543 | 32.839336 |
[
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] | [
38,
38,
3,
27,
7
] | [
1,
1,
1
] | alex<agm001615631> | Sr2LiCoN | P4/mmm | Co-Li-N-Sr | 5 | # generated using pymatgen
data_Sr2LiCoN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.62145897
_cell_length_b 5.50746907
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_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.08431 | null | null | 0.000016 | 2,826.09222 | 49.008682 |
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] | [
56,
3,
3,
12,
12,
14,
14
] | [
1,
1,
1
] | mp-570771 | BaLi2(MgSi)2 | R-3m | Ba-Li-Mg-Si | 7 | # generated using pymatgen
data_BaLi2(MgSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58070211
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_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 0 | 0 | null | -0 | 1,775.977577 | 39.335537 |
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46,
53,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm005100045> | CsPdICl6 | P1 | Cl-Cs-I-Pd | 9 | # generated using pymatgen
data_CsPdICl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.70944940
_cell_length_b 7.12866504
_cell_length_c 7.35023644
_cell_angle_alpha 109.40983274
_cell_angle_beta 105.03272411
_cell_angle_gamma 91.68679640
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.04095 | null | null | -0.000001 | 4,451.196852 | 6.233342 |
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55,
46,
53,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm004473630> | Cs2PdICl6 | I4/mmm | Cl-Cs-I-Pd | 10 | # generated using pymatgen
data_Cs2PdICl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.68977307
_cell_length_b 7.68977307
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_cell_angle_alpha 95.76765399
_cell_angle_beta 116.72781769
_cell_angle_gamma 116.72781769
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.069065 | null | null | 0.000002 | 4,740.36368 | 10.404603 |
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11,
77,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004625164> | Cs3Na2IrO6 | C2/m | Cs-Ir-Na-O | 12 | # generated using pymatgen
data_Cs3Na2IrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24855677
_cell_length_b 6.30599785
_cell_length_c 6.74112920
_cell_angle_alpha 81.65422562
_cell_angle_beta 72.96463108
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_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.042343 | null | null | 0.009044 | 5,747.588189 | 48.701645 |
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1.01474548... | [
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77,
8,
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8,
8,
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8
] | [
1,
1,
1
] | alex<agm004581832> | Cs2Na2IrO6 | C2/m | Cs-Ir-Na-O | 11 | # generated using pymatgen
data_Cs2Na2IrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89777907
_cell_length_b 5.89777907
_cell_length_c 6.99090154
_cell_angle_alpha 99.97589984
_cell_angle_beta 99.97589984
_cell_angle_gamma 116.45033052
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.011181 | null | null | 0.00486 | 5,691.677038 | 45.438957 |
[
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... | [
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55,
11,
11,
77,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004987173> | CsNa2IrO6 | R3 | Cs-Ir-Na-O | 10 | # generated using pymatgen
data_CsNa2IrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99248010
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_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.03187 | null | null | -0.000011 | 5,603.94862 | 49.984173 |
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1,
1
] | alex<agm004625163> | Cs2Na3IrO6 | C2/m | Cs-Ir-Na-O | 12 | # generated using pymatgen
data_Cs2Na3IrO6
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_cell_length_a 5.72726464
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27,
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27
] | [
1,
1,
1
] | mp-570872 | CeCo3 | R-3m | Ce-Co | 12 | # generated using pymatgen
data_CeCo3
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_cell_length_a 4.89405259
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 0 | 0 | null | -0.002938 | 2,876.849618 | 136.25589 |
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30,
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] | [
1,
1,
1
] | alex<agm002932053> | La(MgZn)2 | I4/mmm | La-Mg-Zn | 5 | # generated using pymatgen
data_La(MgZn)2
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_cell_length_a 4.36007331
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58,
27,
27,
27,
27,
27
] | [
1,
1,
1
] | mp-764 | CeCo5 | P6/mmm | Ce-Co | 6 | # generated using pymatgen
data_CeCo5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02459900
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_chemical_formula_structural ... | 0.016485 | 0 | null | 0.003545 | 2,828.906908 | 147.592667 |
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1,
1,
1
] | alex<agm003295367> | Ce2Co | Pnma | Ce-Co | 12 | # generated using pymatgen
data_Ce2Co
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_cell_length_a 4.53986903
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_chemical_formula_structural C... | 0.057368 | null | null | 0.00005 | 3,030.496176 | 84.067062 |
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27,
27
] | [
1,
1,
1
] | alex<agm002144257> | Ce2Co | C2/m | Ce-Co | 6 | # generated using pymatgen
data_Ce2Co
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_cell_length_a 4.78668210
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_chemical_formula_structural C... | 0.071778 | null | null | 0.003779 | 3,030.496176 | 86.541023 |
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27,
27,
27,
27
] | [
1,
1,
1
] | alex<agm003288701> | Ce5Co2 | C2/c | Ce-Co | 14 | # generated using pymatgen
data_Ce5Co2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11507751
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_chemical_formula_structural ... | 0.010259 | null | null | 0.005165 | 3,042.395059 | 81.031235 |
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58,
58,
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58,
27,
27,
27,
27
] | [
1,
1,
1
] | alex<agm002263666> | CeCo | Cmcm | Ce-Co | 8 | # generated using pymatgen
data_CeCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48378226
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_chemical_formula_structural C... | 0.043111 | null | null | 0.000358 | 2,981.570594 | 102.115822 |
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58,
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27,
27,
27,
27
] | [
1,
1,
1
] | alex<agm002263668> | CeCo | Pnma | Ce-Co | 8 | # generated using pymatgen
data_CeCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73009232
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_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce... | 0.025427 | null | null | -0.000394 | 2,981.570594 | 99.845909 |
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] | [
58,
58,
27,
27
] | [
1,
1,
1
] | alex<agm002263667> | CeCo | Pmma | Ce-Co | 4 | # generated using pymatgen
data_CeCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.44557326
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_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce... | 0.09841 | null | null | 0.003199 | 2,981.570594 | 97.062744 |
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] | [
58,
58,
27,
27
] | [
1,
1,
1
] | alex<agm002144256> | CeCo | Cmcm | Ce-Co | 4 | # generated using pymatgen
data_CeCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.67280367
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_cell_angle_alpha 90.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 0 | null | null | -0.000433 | 2,981.570594 | 104.833694 |
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27
] | [
1,
1,
1
] | alex<agm001283383> | Ce3Co | Imm2 | Ce-Co | 4 | # generated using pymatgen
data_Ce3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35908836
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_cell_angle_alpha 118.15444013
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.08537 | null | null | -0.000885 | 3,050.81535 | 80.417191 |
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58,
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27,
27
] | [
1,
1,
1
] | alex<agm002144261> | Ce3Co | Cmcm | Ce-Co | 8 | # generated using pymatgen
data_Ce3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47907917
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | -0.00001 | 3,050.81535 | 77.910431 |
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] | [
12,
12,
48,
48,
48,
48
] | [
1,
1,
1
] | mp-1094812 | MgCd2 | C2/m | Cd-Mg | 6 | # generated using pymatgen
data_MgCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18529200
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_cell_angle_alpha 105.87753744
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.05134 | 0 | null | 0.000015 | 1,221.951454 | 42.535648 |
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30,
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30,
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30,
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] | [
1,
1,
1
] | alex<agm003511019> | La2MgZn7 | P-4m2 | La-Mg-Zn | 10 | # generated using pymatgen
data_La2MgZn7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30668878
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_chemical_formula_structural... | 0.027528 | null | null | 0.000187 | 2,293.887399 | 54.203056 |
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... | [
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27,
27
] | [
1,
1,
1
] | alex<agm003296675> | Ce3Co | Fmm2 | Ce-Co | 16 | # generated using pymatgen
data_Ce3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55461105
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_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 0.063952 | null | null | 0.003354 | 3,050.81535 | 78.880096 |
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3.970562762360597,
0.7344918025797811,
0.8004411050413329,
2.507909452160025,
2.116477765833625,
5.0906326804972455,
7.... | [
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0,
9.471290148398769
] | [
37,
37,
22,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm001077153> | Rb2TiBr4 | I4/mmm | Br-Rb-Ti | 7 | # generated using pymatgen
data_Rb2TiBr4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32408180
_cell_length_b 5.32408180
_cell_length_c 9.47129015
_cell_angle_alpha 106.32373173
_cell_angle_beta 106.32373173
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.063903 | null | null | 0.008121 | 6,143.084953 | 16.175865 |
[
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0,
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0.5640423616729835,
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5.042177942400427,
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1.4848022788404824,
1.43... | [
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37,
37,
22,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003445986> | Rb2TiBr4 | C2/m | Br-Rb-Ti | 7 | # generated using pymatgen
data_Rb2TiBr4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29200918
_cell_length_b 7.15442585
_cell_length_c 8.81709792
_cell_angle_alpha 67.47208778
_cell_angle_beta 75.91321776
_cell_angle_gamma 72.54510984
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.087246 | null | null | 0.008474 | 6,143.084953 | 7.561577 |
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35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003570681> | Rb3TiBr6 | P2_1/c | Br-Rb-Ti | 20 | # generated using pymatgen
data_Rb3TiBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.97813627
_cell_length_b 8.36951485
_cell_length_c 11.51158459
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.76999044
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.009836 | null | null | 0.002599 | 6,281.827712 | 7.383521 |
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6.409854232814905,
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10.07073... | [
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22,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm004482071> | Rb3TiBr6 | Fm-3m | Br-Rb-Ti | 10 | # generated using pymatgen
data_Rb3TiBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.24029397
_cell_length_b 8.24029397
_cell_length_c 8.24029397
_cell_angle_alpha 60.00000000
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_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.051388 | null | null | 0.002527 | 6,281.827712 | 7.051481 |
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37,
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22,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm002190900> | Rb2TiBr6 | Fm-3m | Br-Rb-Ti | 9 | # generated using pymatgen
data_Rb2TiBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61783760
_cell_length_b 7.61783760
_cell_length_c 7.61783760
_cell_angle_alpha 60.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | -0 | 6,316.325388 | 10.680076 |
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37,
37,
22,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003468381> | Rb2TiBr5 | I4mm | Br-Rb-Ti | 8 | # generated using pymatgen
data_Rb2TiBr5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45357759
_cell_length_b 7.45357759
_cell_length_c 7.45357759
_cell_angle_alpha 100.99887221
_cell_angle_beta 113.86638701
_cell_angle_gamma 113.86638701
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.022214 | null | null | 0.003178 | 6,240.898845 | 10.694028 |
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37,
22,
22,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003740753> | RbTiBr4 | Cmcm | Br-Rb-Ti | 12 | # generated using pymatgen
data_RbTiBr4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27523942
_cell_length_b 7.56732826
_cell_length_c 10.83870591
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.08445721
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.074371 | null | null | 0.004752 | 6,170.083815 | 8.063558 |
[
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37,
26,
26,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | mp-568928 | Rb2FeI4 | P2_1 | Fe-I-Rb | 14 | # generated using pymatgen
data_Rb2FeI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.05157700
_cell_length_b 8.48705335
_cell_length_c 10.25174970
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.55401322
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.016467 | 0 | null | 0.012046 | 4,820.764912 | 6.378026 |
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3.4127897581585214,
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5.91112525... | [
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6.5190950184817655,
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] | [
37,
37,
26,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm002150524> | Rb2FeI6 | Fm-3m | Fe-I-Rb | 9 | # generated using pymatgen
data_Rb2FeI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.98422819
_cell_length_b 7.98422819
_cell_length_c 7.98422819
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.083136 | null | null | 0.009364 | 4,815.4317 | 10.194197 |
[
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12,
12,
12,
30,
30,
30,
30,
30,
30,
30,
30
] | [
1,
1,
1
] | alex<agm003376634> | La3Mg3Zn8 | Immm | La-Mg-Zn | 14 | # generated using pymatgen
data_La3Mg3Zn8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66109975
_cell_length_b 8.70211003
_cell_length_c 8.70211003
_cell_angle_alpha 63.35688820
_cell_angle_beta 74.46575123
_cell_angle_gamma 74.46575123
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.025966 | null | null | 0.000131 | 2,292.908828 | 48.563015 |
[
0,
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] | [
55,
27,
27,
34,
34
] | [
1,
1,
1
] | mp-571343 | Cs(CoSe)2 | I4/mmm | Co-Cs-Se | 5 | # generated using pymatgen
data_Cs(CoSe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93232400
_cell_length_b 3.93232400
_cell_length_c 7.81141652
_cell_angle_alpha 104.57834796
_cell_angle_beta 104.57834796
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.041173 | 0 | 41.409988 | 0.019637 | 3,464.027953 | 41.780579 |
[
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] | [
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10.0411632
] | [
71,
71,
6,
17,
17
] | [
1,
1,
1
] | mp-573376 | Lu2CCl2 | R-3m | C-Cl-Lu | 5 | # generated using pymatgen
data_Lu2CCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61242179
_cell_length_b 3.61242179
_cell_length_c 10.04116320
_cell_angle_alpha 79.63719231
_cell_angle_beta 79.63719231
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.000105 | 1.0344 | null | null | 2,765.756761 | 25.409349 |
[
1.8058836300000003,
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3.651990253093448,
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1.042627399905638,
7.968299011194642,
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] | [
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2.2115696071121033e-16,
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9.88898248
] | [
71,
71,
6,
17,
17
] | [
1,
1,
1
] | alex<agm002139894> | Lu2CCl2 | P-3m1 | C-Cl-Lu | 5 | # generated using pymatgen
data_Lu2CCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61176726
_cell_length_b 3.61176726
_cell_length_c 9.88898248
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | 0 | 2,765.756761 | 25.229721 |
[
1.151882407782408,
0.6969556942116092,
2.5953905406071933,
3.896092747782567,
2.3573621815887296,
6.1441170723424365,
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1.5271589379001695,
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0,
0
] | [
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0.9248530464748147,
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3.054317875800339,
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0,
0,
6.88980152
] | [
71,
71,
6,
17
] | [
1,
1,
1
] | alex<agm002139917> | Lu2CCl | R-3m | C-Cl-Lu | 4 | # generated using pymatgen
data_Lu2CCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56988905
_cell_length_b 3.56988905
_cell_length_c 6.88980152
_cell_angle_alpha 74.98508219
_cell_angle_beta 74.98508219
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.032888 | null | null | -0.000029 | 2,878.678588 | 99.836891 |
[
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0.553547... | [
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] | [
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57,
57,
15,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | alex<agm003657704> | La4PI5 | C2/m | I-La-P | 10 | # generated using pymatgen
data_La4PI5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33417020
_cell_length_b 9.17221076
_cell_length_c 10.14416664
_cell_angle_alpha 102.59557748
_cell_angle_beta 102.33508841
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0 | null | null | 0 | 4,034.091158 | 10.446521 |
[
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4.391441285592444,
0.502786030891029,
3.0590226565776875,
1.492776378... | [
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11.991751419100563
] | [
57,
57,
15,
15,
53,
53
] | [
1,
1,
1
] | alex<agm003603150> | LaPI | C2/m | I-La-P | 6 | # generated using pymatgen
data_LaPI
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66046022
_cell_length_b 4.66046022
_cell_length_c 11.99175142
_cell_angle_alpha 95.85559411
_cell_angle_beta 96.92461743
_cell_angle_gamma 115.29445836
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.036875 | null | null | -0.000024 | 4,035.648154 | 22.049479 |
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0,
0,
5.595606381150412
] | [
39,
15,
15,
44,
44
] | [
1,
1,
1
] | mp-568832 | Y(PRu)2 | I4/mmm | P-Ru-Y | 5 | # generated using pymatgen
data_Y(PRu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05918600
_cell_length_b 4.05918600
_cell_length_c 5.59560638
_cell_angle_alpha 111.26683653
_cell_angle_beta 111.26683653
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0 | 0 | null | -0.000001 | 6,131.014749 | 151.376678 |
[
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4.176445696556621... | [
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15,
15,
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15,
44,
44,
44,
44
] | [
1,
1,
1
] | alex<agm002350623> | YPRu | P2_13 | P-Ru-Y | 12 | # generated using pymatgen
data_YPRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.13986399
_cell_length_b 6.13986399
_cell_length_c 6.13986399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YP... | 0.083911 | null | null | -0.000122 | 5,420.608732 | 108.601654 |
[
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44,
44,
44
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1,
1,
1
] | alex<agm002179192> | YPRu | Pnma | P-Ru-Y | 12 | # generated using pymatgen
data_YPRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08561064
_cell_length_b 6.69539179
_cell_length_c 7.57028718
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YP... | 0.044961 | null | null | -0.000093 | 5,420.608732 | 137.057053 |
[
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39,
39,
15,
44
] | [
1,
1,
1
] | alex<agm003183896> | Y2PRu | Amm2 | P-Ru-Y | 4 | # generated using pymatgen
data_Y2PRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98232558
_cell_length_b 4.03704574
_cell_length_c 5.63138235
_cell_angle_alpha 111.00453292
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.070599 | null | null | 0.000023 | 4,611.300369 | 103.864319 |
[
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3.9469183421917574... | [
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12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
13
] | [
1,
1,
1
] | mp-1028211 | CaMg14Al | Amm2 | Al-Ca-Mg | 16 | # generated using pymatgen
data_CaMg14Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37488705
_cell_length_b 6.43599181
_cell_length_c 10.46052128
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.68642737
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.061349 | 0 | null | -0 | 631.512115 | 37.479385 |
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39,
14,
14,
14,
14,
79,
79
] | [
1,
1,
1
] | alex<agm003019132> | Y2Si2Au | P4/mbm | Au-Si-Y | 10 | # generated using pymatgen
data_Y2Si2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33832502
_cell_length_b 6.87250029
_cell_length_c 6.87250029
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.014606 | null | null | -0.000071 | 1,660.167543 | 98.093414 |
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14,
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14,
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79,
79
] | [
1,
1,
1
] | alex<agm003395693> | Y2Si2Au | C2/m | Au-Si-Y | 10 | # generated using pymatgen
data_Y2Si2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30847340
_cell_length_b 5.72899520
_cell_length_c 9.30495579
_cell_angle_alpha 82.05571122
_cell_angle_beta 76.61371834
_cell_angle_gamma 67.91241585
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.010718 | null | null | 0.000002 | 1,660.167543 | 91.973511 |
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39,
39,
14,
79
] | [
1,
1,
1
] | alex<agm003171558> | Y2SiAu | Amm2 | Au-Si-Y | 4 | # generated using pymatgen
data_Y2SiAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10144680
_cell_length_b 4.23835549
_cell_length_c 5.79731563
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.71604055
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.02444 | null | null | -0 | 1,706.190881 | 85.740273 |
[
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3.20127648,
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1.06709215999... | [
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8.07945682
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39,
39,
39,
39,
14,
14,
79,
79
] | [
1,
1,
1
] | alex<agm003628934> | Y2SiAu | P2_1/m | Au-Si-Y | 8 | # generated using pymatgen
data_Y2SiAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26836864
_cell_length_b 5.85369601
_cell_length_c 8.07945682
_cell_angle_alpha 110.58116176
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.044699 | null | null | 0.000001 | 1,706.190881 | 84.961861 |
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39,
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14,
14,
14,
14,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002188511> | YSiAu | Pnma | Au-Si-Y | 12 | # generated using pymatgen
data_YSiAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28022203
_cell_length_b 7.16675233
_cell_length_c 7.81661744
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | 0.017269 | null | null | -0 | 1,453.08416 | 100.546623 |
[
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3.295712285543456,
2.6008091974876706,
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5.073729047197758,... | [
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] | [
39,
39,
14,
14,
79,
79
] | [
1,
1,
1
] | alex<agm003146988> | YSiAu | Immm | Au-Si-Y | 6 | # generated using pymatgen
data_YSiAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28670895
_cell_length_b 5.81799417
_cell_length_c 5.81933841
_cell_angle_alpha 80.50577794
_cell_angle_beta 68.38821220
_cell_angle_gamma 68.38296761
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | 0.020094 | null | null | -0.000017 | 1,453.08416 | 96.131653 |
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2.1707599749999997,
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39,
39,
14,
14,
79,
79
] | [
1,
1,
1
] | alex<agm002188510> | YSiAu | P-6m2 | Au-Si-Y | 6 | # generated using pymatgen
data_YSiAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34151995
_cell_length_b 4.34151995
_cell_length_c 7.51731066
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.00909 | null | null | -0 | 1,453.08416 | 97.974686 |
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39,
39,
14,
14,
79,
79
] | [
1,
1,
1
] | alex<agm003146994> | YSiAu | Pmmm | Au-Si-Y | 6 | # generated using pymatgen
data_YSiAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89171383
_cell_length_b 4.28512802
_cell_length_c 7.50234469
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | 0.017012 | null | null | 0 | 1,453.08416 | 92.731842 |
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] | [
39,
39,
14,
14,
79,
79
] | [
1,
1,
1
] | alex<agm003146995> | YSiAu | I-4m2 | Au-Si-Y | 6 | # generated using pymatgen
data_YSiAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07831924
_cell_length_b 4.07831924
_cell_length_c 8.19271187
_cell_angle_alpha 104.41238345
_cell_angle_beta 104.41238345
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.056442 | null | null | 0.000098 | 1,453.08416 | 84.928276 |
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] | [
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39,
14,
14,
79,
79
] | [
1,
1,
1
] | alex<agm003146991> | YSiAu | C2/m | Au-Si-Y | 6 | # generated using pymatgen
data_YSiAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27772545
_cell_length_b 5.66857735
_cell_length_c 5.80171768
_cell_angle_alpha 76.65136822
_cell_angle_beta 68.36698452
_cell_angle_gamma 67.83227749
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | 0.028363 | null | null | -0.000047 | 1,453.08416 | 99.367256 |
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12,
12,
12,
12,
12,
12,
12,
12,
13
] | [
1,
1,
1
] | mp-1028190 | CaMg14Al | P-6m2 | Al-Ca-Mg | 16 | # generated using pymatgen
data_CaMg14Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.42709077
_cell_length_b 6.42709077
_cell_length_c 10.50976893
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.072909 | 0 | null | 0 | 631.512115 | 37.744236 |
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0.948660... | [
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] | [
39,
39,
14,
14,
79,
79
] | [
1,
1,
1
] | alex<agm003146990> | YSiAu | Cmcm | Au-Si-Y | 6 | # generated using pymatgen
data_YSiAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79464085
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.074079 | null | null | -0.000046 | 1,453.08416 | 93.909012 |
[
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] | [
39,
14,
79
] | [
1,
1,
1
] | alex<agm003160726> | YSiAu | P-6m2 | Au-Si-Y | 3 | # generated using pymatgen
data_YSiAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79671000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.010946 | null | null | -0.000004 | 1,453.08416 | 99.503723 |
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39,
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14,
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79,
79
] | [
1,
1,
1
] | alex<agm002319203> | YSiAu | P6_3/mmc | Au-Si-Y | 6 | # generated using pymatgen
data_YSiAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29916155
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_chemical_formula_structural ... | 0.00253 | null | null | -0.000072 | 1,453.08416 | 96.765038 |
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14,
14,
14,
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79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002241307> | Y3(SiAu)4 | Immm | Au-Si-Y | 11 | # generated using pymatgen
data_Y3(SiAu)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13032502
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_chemical_formula_structura... | 0 | null | null | -0 | 1,365.702833 | 97.975739 |
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39,
39,
14,
14,
14,
14,
79,
79
] | [
1,
1,
1
] | alex<agm003338067> | Y3(Si2Au)2 | C2/m | Au-Si-Y | 9 | # generated using pymatgen
data_Y3(Si2Au)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19644942
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14,
14,
14,
14,
14,
14,
79,
79
] | [
1,
1,
1
] | alex<agm002241072> | YSi3Au | P2/m | Au-Si-Y | 10 | # generated using pymatgen
data_YSi3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95636291
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_chemical_formula_structural ... | 0.07405 | null | null | 0.00029 | 1,384.32382 | 99.141312 |
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39,
39,
14,
14,
14,
14,
79,
79
] | [
1,
1,
1
] | alex<agm002240734> | YSi2Au | Cmcm | Au-Si-Y | 8 | # generated using pymatgen
data_YSi2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18470427
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_chemical_formula_structural ... | 0.081004 | null | null | -0 | 1,415.881003 | 99.127274 |
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39,
39,
14,
14,
14,
14,
79,
79
] | [
1,
1,
1
] | alex<agm002240733> | YSi2Au | P2_1/m | Au-Si-Y | 8 | # generated using pymatgen
data_YSi2Au
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_cell_length_a 4.11016942
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39,
39,
14,
14,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002242727> | YSiAu2 | Cmcm | Au-Si-Y | 8 | # generated using pymatgen
data_YSiAu2
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_cell_length_a 4.17683045
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13,
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13,
13,
13,
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26,
26,
26,
26
] | [
1,
1,
1
] | mp-569200 | Eu(Al2Fe)4 | I4/mmm | Al-Eu-Fe | 13 | # generated using pymatgen
data_Eu(Al2Fe)4
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_cell_length_a 5.02797000
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... | [
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20,
20,
20,
20,
12,
12,
12,
12,
13
] | [
1,
1,
1
] | alex<agm003649232> | Ca5Mg4Al | P4/mmm | Al-Ca-Mg | 10 | # generated using pymatgen
data_Ca5Mg4Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93456156
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[
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] | [
55,
33,
33,
44,
44
] | [
1,
1,
1
] | mp-570837 | Cs(AsRu)2 | I4/mmm | As-Cs-Ru | 5 | # generated using pymatgen
data_Cs(AsRu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11724200
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_symmetry_Int_Tables_number 1
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] | [
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55,
33,
33,
44,
44
] | [
1,
1,
1
] | alex<agm003270254> | CsAsRu | P2_1/m | As-Cs-Ru | 6 | # generated using pymatgen
data_CsAsRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20732370
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | 0.000206 | 6,169.301713 | 44.476185 |
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55,
33,
33,
44,
44
] | [
1,
1,
1
] | alex<agm003270255> | CsAsRu | C2/m | As-Cs-Ru | 6 | # generated using pymatgen
data_CsAsRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18015005
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_chemical_formula_structural ... | 0.002537 | null | null | 0.000013 | 6,169.301713 | 44.026066 |
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55,
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33,
33,
44,
44
] | [
1,
1,
1
] | alex<agm002329875> | CsAsRu | P4/nmm | As-Cs-Ru | 6 | # generated using pymatgen
data_CsAsRu
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_cell_length_a 4.20057855
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.000258 | null | null | -0.000001 | 6,169.301713 | 44.393238 |
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55,
33,
33,
44,
44
] | [
1,
1,
1
] | alex<agm003270253> | CsAsRu | P-1 | As-Cs-Ru | 6 | # generated using pymatgen
data_CsAsRu
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_cell_length_a 4.17645906
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.000012 | null | null | 0 | 6,169.301713 | 44.231197 |
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13,
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31
] | [
1,
1,
1
] | alex<agm003531057> | La8Al2Ga | C2/m | Al-Ga-La | 11 | # generated using pymatgen
data_La8Al2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22317914
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2.32004417,
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2.32004417,
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2.32004417,
0,
2.097877409140079
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0,
6.98900666
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57,
13,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm002367731> | LaAlGa5 | P4/mmm | Al-Ga-La | 7 | # generated using pymatgen
data_LaAlGa5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64008834
_cell_length_b 4.64008834
_cell_length_c 6.98900666
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.070025 | null | null | -0.000227 | 2,176.778665 | 61.070965 |
[
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0,
2.785531902692269,
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13,
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13,
31,
31,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003335445> | La2Al3Ga4 | Cmce | Al-Ga-La | 18 | # generated using pymatgen
data_La2Al3Ga4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95635929
_cell_length_b 8.10135988
_cell_length_c 8.41722044
_cell_angle_alpha 90.00000000
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_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.055027 | null | null | 0.000106 | 2,308.568921 | 61.78614 |
[
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0,
5.37634377
] | [
57,
57,
13,
31
] | [
1,
1,
1
] | alex<agm001197031> | La2AlGa | P4/mmm | Al-Ga-La | 4 | # generated using pymatgen
data_La2AlGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77186729
_cell_length_b 5.37634377
_cell_length_c 5.37634377
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.047068 | null | null | -0.000122 | 2,725.305657 | 60.817078 |
[
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5.35599088
] | [
57,
57,
13,
31
] | [
1,
1,
1
] | alex<agm002327681> | La2AlGa | Fm-3m | Al-Ga-La | 4 | # generated using pymatgen
data_La2AlGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35599088
_cell_length_b 5.35599088
_cell_length_c 5.35599088
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.054417 | null | null | -0.000069 | 2,725.305657 | 58.792431 |
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0,
8.05837489
] | [
20,
20,
12,
12,
13,
13
] | [
1,
1,
1
] | alex<agm003605467> | CaMgAl | Pmmn | Al-Ca-Mg | 6 | # generated using pymatgen
data_CaMgAl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27891930
_cell_length_b 4.59362364
_cell_length_c 8.05837489
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.095412 | null | null | 0.000023 | 1,086.319048 | 38.843727 |
[
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0,
7.60082601
] | [
57,
57,
13,
31
] | [
1,
1,
1
] | alex<agm001137556> | La2AlGa | P4/mmm | Al-Ga-La | 4 | # generated using pymatgen
data_La2AlGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79264666
_cell_length_b 3.79264666
_cell_length_c 7.60082601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.044153 | null | null | 0.000006 | 2,725.305657 | 51.041752 |
[
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3.2011319174999997,
3.8695439581822018,
1.2224270304432556,
1... | [
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0,
8.99907961
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57,
57,
57,
57,
13,
13,
31,
31
] | [
1,
1,
1
] | alex<agm003629513> | La2AlGa | P2_1/m | Al-Ga-La | 8 | # generated using pymatgen
data_La2AlGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26817589
_cell_length_b 6.26475530
_cell_length_c 8.99907961
_cell_angle_alpha 108.66522975
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.027035 | null | null | 0.001253 | 2,725.305657 | 53.194962 |
[
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0.5521686003161916,
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0.3365866513... | [
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13,
13,
13,
31,
31,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003376560> | La3Al3Ga8 | Immm | Al-Ga-La | 14 | # generated using pymatgen
data_La3Al3Ga8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36475026
_cell_length_b 8.62555605
_cell_length_c 8.62555605
_cell_angle_alpha 71.63298751
_cell_angle_beta 75.34414050
_cell_angle_gamma 75.34414050
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.018788 | null | null | -0.000054 | 2,304.767209 | 61.642944 |
[
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1.6343529768371765,
2.242939428348749,
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5.506032182692925,
1.6893263... | [
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57,
57,
57,
57,
57,
57,
57,
57,
13,
31,
31
] | [
1,
1,
1
] | alex<agm003531058> | La8AlGa2 | C2/m | Al-Ga-La | 11 | # generated using pymatgen
data_La8AlGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87060271
_cell_length_b 8.46691341
_cell_length_c 8.59614721
_cell_angle_alpha 113.78339302
_cell_angle_beta 102.28728549
_cell_angle_gamma 105.14332107
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.07963 | null | null | 0.00002 | 2,924.683836 | 40.208282 |
[
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4.916384707499921,
1.2707846524999213,
2.3769014999999993,
3.645600055,
3.64... | [
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7.29120011,
4.464572438327165e-16,
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0,
7.29120011
] | [
57,
57,
57,
57,
13,
13,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003391845> | La2AlGa2 | P4/mbm | Al-Ga-La | 10 | # generated using pymatgen
data_La2AlGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75380300
_cell_length_b 7.29120011
_cell_length_c 7.29120011
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.052211 | null | null | 0.000397 | 2,595.77436 | 55.281216 |
[
2.876588405304413,
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10.520248708686891,
5.550630490978011,
3.8391550953187012,
5.64577308890273... | [
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] | [
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57,
57,
57,
13,
13,
13,
13,
31,
31
] | [
1,
1,
1
] | alex<agm003403369> | La2Al2Ga | C2/m | Al-Ga-La | 10 | # generated using pymatgen
data_La2Al2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41391379
_cell_length_b 6.24070325
_cell_length_c 10.41566019
_cell_angle_alpha 83.45239927
_cell_angle_beta 77.76696351
_cell_angle_gamma 69.28993691
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.051168 | null | null | 0.000352 | 2,609.361082 | 62.36002 |
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1.8907143649999998,
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0,
0,
11.37489881
] | [
57,
57,
57,
13,
31,
31
] | [
1,
1,
1
] | alex<agm003438026> | La3AlGa2 | P4/mmm | Al-Ga-La | 6 | # generated using pymatgen
data_La3AlGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78142873
_cell_length_b 3.78142873
_cell_length_c 11.37489881
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.038829 | null | null | 0.00018 | 2,715.88141 | 51.43232 |
[
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0.8252032307594477,
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2.238784810931866,
1.6267019329175352,
3.77612... | [
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3.8179051847525813e-16,
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15.10449033
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57,
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57,
57,
13,
13,
13,
13,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003331268> | La3Al2Ga3 | Cmcm | Al-Ga-La | 16 | # generated using pymatgen
data_La3Al2Ga3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47756962
_cell_length_b 6.23511234
_cell_length_c 15.10449033
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 111.04253150
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.029336 | null | null | 0.003728 | 2,564.108152 | 60.91906 |
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4.420533472819446,
7.772660848134494,
9.27835551911855,
1.4973137246645374,
0.2700402023581411,
3.0... | [
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8.042701050492635,
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57,
13,
13,
13,
13,
13,
13,
13,
13,
13,
31,
31
] | [
1,
1,
1
] | alex<agm003359373> | La3Al9Ga2 | Immm | Al-Ga-La | 14 | # generated using pymatgen
data_La3Al9Ga2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44823864
_cell_length_b 8.58909177
_cell_length_c 8.58909177
_cell_angle_alpha 72.78923142
_cell_angle_beta 74.99241153
_cell_angle_gamma 74.99241153
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.034244 | null | null | 0.000013 | 2,252.328596 | 64.214348 |
[
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0.7109114495657175,
6.3672959085936975,
3.02611516809999,
7.353536959279436,
5.871760737608479,... | [
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13,
13,
13,
13,
13,
13,
13,
13,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003376561> | La3Al8Ga3 | Immm | Al-Ga-La | 14 | # generated using pymatgen
data_La3Al8Ga3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43948019
_cell_length_b 8.59771956
_cell_length_c 8.59771956
_cell_angle_alpha 73.12934735
_cell_angle_beta 75.03803488
_cell_angle_gamma 75.03803488
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.040589 | null | null | 0.000034 | 2,263.287289 | 62.560223 |
[
4.22765999,
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2.113829995,
1.7174166677570126,
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2.1138... | [
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] | [
20,
20,
20,
12,
12,
12,
13,
13,
13
] | [
1,
1,
1
] | alex<agm002160157> | CaMgAl | P-62m | Al-Ca-Mg | 9 | # generated using pymatgen
data_CaMgAl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22765999
_cell_length_b 7.94538325
_cell_length_c 7.94538325
_cell_angle_alpha 120.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.085102 | null | null | 0.00005 | 1,086.319048 | 38.065662 |
[
2.155089273003463,
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4.070371931114792,
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1.7124067030829606,
0.8753744397558544,
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0.16027063080483486,
5.64972718469275,
1.1660106846487202,
0.695680607628426,
1.6398880283778363
] | [
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2.5694364881764984,
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0,
6.85003988
] | [
30,
5,
45,
45
] | [
1,
1,
1
] | alex<agm005110790> | ZnBRh2 | R3m | B-Rh-Zn | 4 | # generated using pymatgen
data_ZnBRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.99201043
_cell_length_b 2.99201043
_cell_length_c 6.85003988
_cell_angle_alpha 77.38529815
_cell_angle_beta 77.38529815
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.076507 | null | null | -0 | 6,355.283994 | 193.473434 |
[
0.005079165961970471,
1.4296743475,
0.02040252126415759,
2.8304952504840233,
4.2890230425,
5.321757134962125,
2.2298566752334152,
1.4296743475,
2.9090497951771686,
0.6057177412125787,
4.2890230425,
2.433109861049114,
1.8333800817932906,
0.0024077431621117003,
1.3164413834496507,
1.0021... | [
2.8355744164459944,
0,
-0.7059104537737181,
-3.5016922269779116e-16,
5.71869739,
3.5016922269779116e-16,
0,
0,
6.04807011
] | [
30,
30,
5,
5,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm003626368> | ZnBRh2 | Cmcm | B-Rh-Zn | 8 | # generated using pymatgen
data_ZnBRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.92212112
_cell_length_b 5.71869739
_cell_length_c 6.04807011
_cell_angle_alpha 90.00000000
_cell_angle_beta 103.97949748
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | -0.000046 | 6,355.283994 | 189.663864 |
[
4.844133109915338,
3.4253193709914163,
8.390284665000001,
1.6147110366384467,
1.1417731236638076,
2.796761555000002,
3.2294220732768926,
2.2835462473276125,
5.593523110000001,
2.393025718609961,
3.4663893156170027,
7.042204091548524,
4.0658184279438245,
1.1007031790382193,
7.042204091548... | [
4.844133109915338,
0,
2.7967615550000002,
1.6147110366384452,
4.5670924946552205,
2.7967615550000002,
0,
0,
5.59352311
] | [
30,
30,
5,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm002257265> | Zn2BRh6 | Fm-3m | B-Rh-Zn | 9 | # generated using pymatgen
data_Zn2BRh6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59352311
_cell_length_b 5.59352311
_cell_length_c 5.59352311
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.0631 | null | null | 0.000001 | 6,863.260445 | 180.206009 |
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