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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1.200329208925014... | [
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8,
8,
8
] | [
1,
1,
1
] | alex<agm003670656> | Tb(RhO2)4 | R-3m | O-Rh-Tb | 13 | # generated using pymatgen
data_Tb(RhO2)4
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_cell_length_a 6.23129415
_cell_length_b 6.23129415
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[
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45,
45,
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8
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1,
1,
1
] | alex<agm002231518> | Tb3RhO | Cmcm | O-Rh-Tb | 10 | # generated using pymatgen
data_Tb3RhO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71088696
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.080744 | null | null | 0.000001 | 3,876.654869 | 94.812561 |
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28,
28,
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82,
82,
82
] | [
1,
1,
1
] | alex<agm002295538> | ErNiPb | P-62m | Er-Ni-Pb | 9 | # generated using pymatgen
data_ErNiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79405450
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_chemical_formula_structural ... | 0.011471 | null | null | -0.000032 | 2,261.335733 | 81.190201 |
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28,
28,
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28,
82,
82,
82,
82
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1,
1,
1
] | alex<agm002295540> | ErNiPb | P6_3/mmc | Er-Ni-Pb | 12 | # generated using pymatgen
data_ErNiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.55496298
_cell_length_b 4.55496298
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_chemical_formula_structural ... | 0.081766 | null | null | 0.000046 | 2,261.335733 | 74.151047 |
[
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0,
4.58119793
] | [
68,
28,
82
] | [
1,
1,
1
] | alex<agm002295539> | ErNiPb | F-43m | Er-Ni-Pb | 3 | # generated using pymatgen
data_ErNiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58119793
_cell_length_b 4.58119793
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_symmetry_Int_Tables_number 1
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] | [
68,
28,
82
] | [
1,
1,
1
] | alex<agm001267283> | ErNiPb | P-6m2 | Er-Ni-Pb | 3 | # generated using pymatgen
data_ErNiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57144157
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.099228 | null | null | -0.000012 | 2,261.335733 | 73.110229 |
[
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68,
68,
68,
28,
28,
28,
28,
82,
82
] | [
1,
1,
1
] | alex<agm002225974> | Er2Ni2Pb | P4/mbm | Er-Ni-Pb | 10 | # generated using pymatgen
data_Er2Ni2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58929312
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_cell_angle_alpha 90.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.035525 | null | null | 0 | 2,406.363904 | 87.013123 |
[
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15.959181,
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0,
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] | [
12,
12,
48,
48,
48,
48
] | [
1,
1,
1
] | mp-1039175 | MgCd2 | P-6m2 | Cd-Mg | 6 | # generated using pymatgen
data_MgCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12077215
_cell_length_b 3.12077215
_cell_length_c 15.95918100
_cell_angle_alpha 90.00000000
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_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.083966 | 0 | null | 0.000099 | 1,221.951454 | 41.663044 |
[
2.7070596918546226,
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1.121919253413019,
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0,
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1.2096956018972496,
2.081307706285511,
3.20... | [
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0,
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] | [
81,
81,
29,
29,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003307843> | Tl2Cu2Se3 | C2/m | Cu-Se-Tl | 7 | # generated using pymatgen
data_Tl2Cu2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97734772
_cell_length_b 6.63499443
_cell_length_c 7.77964276
_cell_angle_alpha 64.78405151
_cell_angle_beta 75.18935712
_cell_angle_gamma 72.55891187
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.048052 | null | null | -0.000061 | 4,267.540019 | 26.257723 |
[
1.7846084349999998,
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1.784608435,
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4.868816608136869,
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0.7904859335481517,
2.7377047226008075,
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3.1402587981937695,
3.5015237758620623,
0,
0,
0
] | [
3.56921687,
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3.9307447317419215,
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0,
0,
7.37419327
] | [
68,
68,
28,
28,
82
] | [
1,
1,
1
] | alex<agm002294795> | Er2Ni2Pb | Cmmm | Er-Ni-Pb | 5 | # generated using pymatgen
data_Er2Ni2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56921687
_cell_length_b 4.09131998
_cell_length_c 7.37419327
_cell_angle_alpha 106.10556501
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0 | null | null | 0 | 2,406.363904 | 82.601509 |
[
2.6760891250250736,
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3.4226301997055577,
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68,
68,
68,
68,
68,
28,
28,
28,
28,
28,
28,
82
] | [
1,
1,
1
] | alex<agm003694275> | Er12Ni6Pb | Im-3 | Er-Ni-Pb | 19 | # generated using pymatgen
data_Er12Ni6Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.34011450
_cell_length_b 8.34011450
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_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 0 | null | null | 0.000832 | 2,775.500918 | 68.56044 |
[
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1.8814486406362945,
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68,
68,
68,
68,
68,
28,
28,
82,
82
] | [
1,
1,
1
] | alex<agm003751533> | Er4NiPb | C2/c | Er-Ni-Pb | 12 | # generated using pymatgen
data_Er4NiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06352935
_cell_length_b 7.73275735
_cell_length_c 7.73275735
_cell_angle_alpha 111.85646930
_cell_angle_beta 100.14236945
_cell_angle_gamma 100.14236945
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.086605 | null | null | 0.000583 | 2,711.447196 | 66.973259 |
[
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... | [
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] | [
68,
68,
28,
28,
28,
28,
82,
82
] | [
1,
1,
1
] | alex<agm002377871> | ErNi2Pb | P6_3/mmc | Er-Ni-Pb | 8 | # generated using pymatgen
data_ErNi2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43940651
_cell_length_b 4.43940651
_cell_length_c 8.45232375
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.071308 | null | null | -0.000042 | 2,170.48331 | 92.328972 |
[
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4.322966253242... | [
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31,
31,
31,
31,
31,
78,
78,
78,
78,
78,
78
] | [
1,
1,
1
] | mp-571609 | HfGaPt | P-62c | Ga-Hf-Pt | 18 | # generated using pymatgen
data_HfGaPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.06671700
_cell_length_b 7.17824070
_cell_length_c 7.17824070
_cell_angle_alpha 120.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | 0 | null | -0.000001 | 5,350.390596 | 157.157394 |
[
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1.7760279649999995,
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72,
72,
72,
31,
31,
31,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002213512> | HfGaPt | P-62m | Ga-Hf-Pt | 9 | # generated using pymatgen
data_HfGaPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55205593
_cell_length_b 7.17065781
_cell_length_c 7.17065781
_cell_angle_alpha 120.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.011963 | null | null | 0 | 5,350.390596 | 155.79808 |
[
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1.4475032824608183,
1.0513911999999996,
5.5754020182162325,
6.975886971398492,
1.05139119... | [
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4.0771315428043165e-16,
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72,
72,
72,
72,
31,
31,
31,
31,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm003600419> | HfGaPt | Pnma | Ga-Hf-Pt | 12 | # generated using pymatgen
data_HfGaPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20556480
_cell_length_b 6.65846111
_cell_length_c 7.58055947
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.069763 | null | null | -0.000126 | 5,350.390596 | 154.971497 |
[
0,
0,
0,
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72,
31,
31,
31,
31,
31,
78
] | [
1,
1,
1
] | alex<agm002151270> | HfGa5Pt | P4/mmm | Ga-Hf-Pt | 7 | # generated using pymatgen
data_HfGa5Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31825336
_cell_length_b 4.31825336
_cell_length_c 6.65418013
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.067208 | null | null | 0.000041 | 4,017.93284 | 98.472313 |
[
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72,
72,
72,
72,
31,
31,
31,
78
] | [
1,
1,
1
] | alex<agm003553119> | Hf4Ga3Pt | Pmm2 | Ga-Hf-Pt | 8 | # generated using pymatgen
data_Hf4Ga3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83048560
_cell_length_b 3.87947572
_cell_length_c 10.24778853
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.041788 | null | null | 0.000294 | 3,603.053712 | 138.080521 |
[
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3.542554463287123,
2.1266522992611208,
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6.15603878171... | [
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72,
72,
31,
31,
31,
31,
78,
78
] | [
1,
1,
1
] | alex<agm002213001> | HfGa2Pt | Cmcm | Ga-Hf-Pt | 8 | # generated using pymatgen
data_HfGa2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25330460
_cell_length_b 5.38190223
_cell_length_c 6.46572883
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 113.27525576
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.051436 | null | null | -0.000074 | 4,881.458423 | 141.480789 |
[
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3.6312... | [
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81,
29,
29,
29,
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34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003330769> | Tl3Cu2Se3 | Cmcm | Cu-Se-Tl | 16 | # generated using pymatgen
data_Tl3Cu2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14802682
_cell_length_b 7.06802224
_cell_length_c 14.52515954
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 107.06378724
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.059554 | null | null | 0.000148 | 4,734.500731 | 23.907703 |
[
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72,
72,
31,
31,
78,
78,
78,
78
] | [
1,
1,
1
] | alex<agm002275509> | HfGaPt2 | P6_3/mmc | Ga-Hf-Pt | 8 | # generated using pymatgen
data_HfGaPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30907801
_cell_length_b 4.30907801
_cell_length_c 8.64792226
_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 | -0.000074 | 6,496.24049 | 159.016861 |
[
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1.682190329... | [
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72,
72,
72,
72,
72,
72,
31,
31,
78
] | [
1,
1,
1
] | alex<agm002274829> | Hf6Ga2Pt | P-62m | Ga-Hf-Pt | 9 | # generated using pymatgen
data_Hf6Ga2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.36438066
_cell_length_b 7.88737627
_cell_length_c 7.88737627
_cell_angle_alpha 120.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.009041 | null | null | 0.000025 | 3,432.77039 | 131.834473 |
[
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] | [
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0,
4.610965329999999
] | [
39,
28,
82
] | [
1,
1,
1
] | alex<agm002227560> | YNiPb | F-43m | Ni-Pb-Y | 3 | # generated using pymatgen
data_YNiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61096533
_cell_length_b 4.61096533
_cell_length_c 4.61096533
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | 0.030772 | null | null | 0.000002 | 1,950.836452 | 75.968697 |
[
1.8013545149999999,
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0,
0
] | [
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0,
4.59041983
] | [
39,
28,
82
] | [
1,
1,
1
] | alex<agm003160290> | YNiPb | P-6m2 | Ni-Pb-Y | 3 | # generated using pymatgen
data_YNiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.60270903
_cell_length_b 4.59041983
_cell_length_c 4.59041983
_cell_angle_alpha 120.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.069185 | null | null | -0.000054 | 1,950.836452 | 75.390953 |
[
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1.9109608000000002,
2.19121102765288,
3.795288829999999,
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0,
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] | [
39,
39,
39,
28,
28,
28,
82,
82,
82
] | [
1,
1,
1
] | alex<agm002296009> | YNiPb | P-62m | Ni-Pb-Y | 9 | # generated using pymatgen
data_YNiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82192160
_cell_length_b 7.59057766
_cell_length_c 7.59057766
_cell_angle_alpha 120.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | -0 | 1,950.836452 | 76.718536 |
[
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5.515015734693646,
2.2837693900000002,
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1.908895... | [
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] | [
39,
39,
28,
28,
82,
82
] | [
1,
1,
1
] | alex<agm002168804> | YNiPb | P6_3mc | Ni-Pb-Y | 6 | # generated using pymatgen
data_YNiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56753878
_cell_length_b 4.56753878
_cell_length_c 7.21224133
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.040642 | null | null | 0.001421 | 1,950.836452 | 73.053963 |
[
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5.059687507919304,
3.2101229152504778,
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5.2925975562949... | [
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0,
0,
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] | [
39,
39,
28,
28,
82,
82
] | [
1,
1,
1
] | alex<agm003599445> | YNiPb | R-3m | Ni-Pb-Y | 6 | # generated using pymatgen
data_YNiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62331890
_cell_length_b 4.62331890
_cell_length_c 7.86874026
_cell_angle_alpha 72.91574996
_cell_angle_beta 72.91574996
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | 0.092735 | null | null | 0.000074 | 1,950.836452 | 74.857285 |
[
3.427144755,
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1.14238... | [
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4.418038609291629e-16,
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39,
39,
39,
28,
28,
28,
28,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm002168805> | YNiPb | Pnma | Ni-Pb-Y | 12 | # generated using pymatgen
data_YNiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56952634
_cell_length_b 7.21520460
_cell_length_c 7.81923102
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | 0.002062 | null | null | 0.000112 | 1,950.836452 | 82.955406 |
[
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39,
39,
39,
28,
28,
28,
28,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm002227559> | YNiPb | P6_3/mmc | Ni-Pb-Y | 12 | # generated using pymatgen
data_YNiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57830238
_cell_length_b 4.57830238
_cell_length_c 14.50065596
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.053721 | null | null | 0.000156 | 1,950.836452 | 72.6483 |
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... | [
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] | [
39,
28,
28,
28,
28,
82
] | [
1,
1,
1
] | alex<agm003199948> | YNi4Pb | F-43m | Ni-Pb-Y | 6 | # generated using pymatgen
data_YNi4Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03075030
_cell_length_b 5.03075030
_cell_length_c 5.03075030
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.051002 | null | null | -0.000261 | 1,801.304628 | 126.4739 |
[
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3.39... | [
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29,
29,
29,
29,
29,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm005403924> | Tl(CuSe)3 | Pm-3n | Cu-Se-Tl | 14 | # generated using pymatgen
data_Tl(CuSe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.79500395
_cell_length_b 6.79500395
_cell_length_c 6.79500395
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.029519 | null | null | -0.000196 | 3,267.156516 | 46.628262 |
[
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3.7229955,
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] | [
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65,
65,
65,
49,
49,
32,
32,
32,
32
] | [
1,
1,
1
] | mp-569996 | Tb2InGe2 | P4/mbm | Ge-In-Tb | 10 | # generated using pymatgen
data_Tb2InGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21616700
_cell_length_b 7.44599100
_cell_length_c 7.44599100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | 0 | null | -0 | 2,579.82269 | 67.767845 |
[
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4.5200278675971175,
3.534130... | [
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65,
65,
65,
65,
65,
65,
49,
49,
32
] | [
1,
1,
1
] | alex<agm003526243> | Tb8In2Ge | C2/m | Ge-In-Tb | 11 | # generated using pymatgen
data_Tb8In2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12560803
_cell_length_b 6.73882137
_cell_length_c 9.89928571
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_cell_angle_beta 105.00407667
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_chemical_formula_structura... | 0.097915 | null | null | 0.000002 | 2,884.093425 | 56.642227 |
[
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14.872521988... | [
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38,
49,
49,
49,
49,
49,
49,
49,
49,
82,
82
] | [
1,
1,
1
] | mp-605735 | Sr3In4Pb | Cmcm | In-Pb-Sr | 16 | # generated using pymatgen
data_Sr3In4Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15319662
_cell_length_b 6.57292695
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_chemical_formula_structura... | 0.007211 | 0 | null | null | 2,238.257157 | 31.739006 |
[
0,
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2.44961964,
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0,
5.01553035
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38,
49,
49,
82
] | [
1,
1,
1
] | alex<agm003180333> | SrIn2Pb | P4/mmm | In-Pb-Sr | 4 | # generated using pymatgen
data_SrIn2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89923928
_cell_length_b 4.89923928
_cell_length_c 5.01553035
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_chemical_formula_structural ... | 0.014499 | null | null | 0.000001 | 2,088.053145 | 36.670757 |
[
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0,
6.187801041401082
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38,
49,
49,
82
] | [
1,
1,
1
] | alex<agm003180337> | SrIn2Pb | I-4m2 | In-Pb-Sr | 4 | # generated using pymatgen
data_SrIn2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89487654
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_cell_length_c 6.18780104
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_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.071382 | null | null | 0 | 2,088.053145 | 34.642071 |
[
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0
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0,
6.172961110792936
] | [
38,
49,
49,
82
] | [
1,
1,
1
] | alex<agm003180335> | SrIn2Pb | I4/mmm | In-Pb-Sr | 4 | # generated using pymatgen
data_SrIn2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88310110
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_cell_angle_alpha 113.29862100
_cell_angle_beta 113.29862100
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_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.05697 | null | null | -0 | 2,088.053145 | 34.593418 |
[
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3.4753180498608907,
1.5815356943824985,
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6.300866187955624
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38,
49,
49,
82
] | [
1,
1,
1
] | alex<agm003180334> | SrIn2Pb | Imm2 | In-Pb-Sr | 4 | # generated using pymatgen
data_SrIn2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80698095
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_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.071349 | null | null | -0.000006 | 2,088.053145 | 33.904129 |
[
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2.5094858947114304e-16,
0,
0,
7.41295269
] | [
38,
49,
49,
82
] | [
1,
1,
1
] | alex<agm004080537> | SrIn2Pb | P4mm | In-Pb-Sr | 4 | # generated using pymatgen
data_SrIn2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09830148
_cell_length_b 4.09830148
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_cell_angle_alpha 90.00000000
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_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.086134 | null | null | -0.000005 | 2,088.053145 | 30.94149 |
[
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2.3608858563132618,
3.6591891452221232,
2.380943580031602,
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3.202244769631428
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0,
5.87188212
] | [
38,
49,
49,
82
] | [
1,
1,
1
] | alex<agm004316166> | SrIn2Pb | Cm | In-Pb-Sr | 4 | # generated using pymatgen
data_SrIn2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76188716
_cell_length_b 5.46486147
_cell_length_c 5.87188212
_cell_angle_alpha 108.69892377
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_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.085411 | null | null | 0.000027 | 2,088.053145 | 31.22403 |
[
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3.0962450950000013,
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38,
38,
38,
38,
38,
49,
49,
49,
49,
49,
82
] | [
1,
1,
1
] | alex<agm002243751> | Sr5In5Pb | P-6m2 | In-Pb-Sr | 11 | # generated using pymatgen
data_Sr5In5Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.19249019
_cell_length_b 6.19249019
_cell_length_c 11.28982143
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.052454 | null | null | 0 | 2,325.293794 | 29.759296 |
[
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4.854944725665215,
2.8030036064131005,
5.150939955000002,
3.277946181430139e-8,
5.660760387925... | [
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12,
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12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
30
] | [
1,
1,
1
] | mp-1027958 | LaMg14Zn | P-6m2 | La-Mg-Zn | 16 | # generated using pymatgen
data_LaMg14Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55589264
_cell_length_b 6.55589264
_cell_length_c 10.30187991
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.092095 | 0 | null | -0 | 1,331.325252 | 36.025169 |
[
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0,
0,
4.560394563082079,
3.2246858817192057,
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3.2246858817192057,
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3.6507825206980558,
0.6519145080444518,
6.323340750000001,
1.8253912420951157,
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... | [
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3.1616703750000013,
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0,
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] | [
38,
49,
49,
49,
49,
82
] | [
1,
1,
1
] | alex<agm003199820> | SrIn4Pb | F-43m | In-Pb-Sr | 6 | # generated using pymatgen
data_SrIn4Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.32334075
_cell_length_b 6.32334075
_cell_length_c 6.32334075
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.064803 | null | null | 0.000024 | 2,061.239212 | 44.637897 |
[
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10.92929633342822,
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2.4149228401043485,
3.5873764438149047,
4.423301947971183,
7.325688415855578... | [
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1.2093854196140452,
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6.101232030899814,
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0,
11.15514298
] | [
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38,
38,
38,
49,
49,
49,
49,
82,
82
] | [
1,
1,
1
] | alex<agm003392517> | Sr2In2Pb | C2/m | In-Pb-Sr | 10 | # generated using pymatgen
data_Sr2In2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19439453
_cell_length_b 6.64222472
_cell_length_c 11.15514298
_cell_angle_alpha 81.51825036
_cell_angle_beta 76.53654561
_cell_angle_gamma 66.98244424
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.084293 | null | null | 0.000191 | 2,218.600305 | 28.33556 |
[
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3.7254410719423157,
5.0784215048248225,
2.474362605534544,
2.37855182449287... | [
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6.140462700936351,
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0,
10.13845932
] | [
38,
38,
38,
49,
49,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm003340282> | Sr3(InPb2)2 | C2/m | In-Pb-Sr | 9 | # generated using pymatgen
data_Sr3(InPb2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94872521
_cell_length_b 7.05457810
_cell_length_c 10.13845932
_cell_angle_alpha 110.20985590
_cell_angle_beta 90.00000000
_cell_angle_gamma 110.53292937
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 0.043148 | null | null | -0.00006 | 2,073.488454 | 33.072979 |
[
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1.3623469706827804,
1.6455423872940904,
2.751302914484308,
3.8387888334588802,
6.842613684414922,... | [
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6.042066512785985,
2.1114952515965135,
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0,
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] | [
38,
38,
49,
49,
82,
82
] | [
1,
1,
1
] | alex<agm003598867> | SrInPb | C2/m | In-Pb-Sr | 6 | # generated using pymatgen
data_SrInPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04867407
_cell_length_b 6.67254895
_cell_length_c 6.95021074
_cell_angle_alpha 71.55192630
_cell_angle_beta 68.70296913
_cell_angle_gamma 67.77054280
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.025965 | null | null | 0 | 2,112.733682 | 35.274147 |
[
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2.5188446649999996,
1.4542556453846025,
6.202758585525698,
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38,
38,
38,
49,
49,
49,
49,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm002243886> | SrInPb | P6_3/mmc | In-Pb-Sr | 12 | # generated using pymatgen
data_SrInPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03768933
_cell_length_b 5.03768933
_cell_length_c 18.24085013
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.015393 | null | null | 0.000059 | 2,112.733682 | 36.012131 |
[
1.5372055665072366,
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2.5182969399999986,
3.4436535162324238,
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2.518296939999999
] | [
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0,
0,
5.03659388
] | [
38,
49,
82
] | [
1,
1,
1
] | alex<agm004066996> | SrInPb | P3m1 | In-Pb-Sr | 3 | # generated using pymatgen
data_SrInPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66822235
_cell_length_b 5.03659388
_cell_length_c 5.03659388
_cell_angle_alpha 120.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.066441 | null | null | 0.000035 | 2,112.733682 | 34.583324 |
[
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2.6062536581202473,
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3.966736633880292,
1.651181679730575,
3.063209176524741,
1.1056136787142499,
0.05468175299... | [
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7.121559764060349,
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] | [
38,
38,
38,
38,
49,
49,
49,
49,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm001062150> | SrInPb | P1 | In-Pb-Sr | 12 | # generated using pymatgen
data_SrInPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53924089
_cell_length_b 8.04593201
_cell_length_c 9.04492766
_cell_angle_alpha 105.42009538
_cell_angle_beta 108.76121615
_cell_angle_gamma 106.02903381
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.08427 | null | null | -0.000194 | 2,112.733682 | 30.492571 |
[
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1.6437501553125382,
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0.9267277044667492,
2.2916576714504546,
3.26701774143506... | [
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0,
10.729467129202945
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38,
38,
38,
38,
38,
38,
38,
38,
49,
82,
82
] | [
1,
1,
1
] | alex<agm003533546> | Sr8InPb2 | C2/m | In-Pb-Sr | 11 | # generated using pymatgen
data_Sr8InPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85603500
_cell_length_b 8.11649074
_cell_length_c 10.72946713
_cell_angle_alpha 107.35883983
_cell_angle_beta 105.83660671
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.053303 | null | null | 0.001805 | 2,502.431355 | 20.3689 |
[
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0,
0,
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4.08464966,
4.08464966,
... | [
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8.16929932,
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0,
8.16929932
] | [
38,
38,
38,
38,
49,
49,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm003020788> | Sr2InPb2 | P4/mbm | In-Pb-Sr | 10 | # generated using pymatgen
data_Sr2InPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19301665
_cell_length_b 8.16929932
_cell_length_c 8.16929932
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.039452 | null | null | 0.000165 | 2,131.107887 | 25.638149 |
[
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2.401... | [
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6.42312831
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3,
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31,
31,
31,
31,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-5854 | LiGaO2 | Pna2_1 | Ga-Li-O | 16 | # generated using pymatgen
data_LiGaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06886779
_cell_length_b 5.43948767
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_cell_angle_alpha 90.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | 3.1981 | null | null | 1,634.646816 | 90.239868 |
[
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4.02549697853682... | [
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12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
30
] | [
1,
1,
1
] | mp-1027977 | LaMg14Zn | Amm2 | La-Mg-Zn | 16 | # generated using pymatgen
data_LaMg14Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46358663
_cell_length_b 6.56554238
_cell_length_c 10.28623288
_cell_angle_alpha 90.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.08132 | 0 | null | -0 | 1,331.325252 | 36.409637 |
[
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0,
0,
5.16544511
] | [
3,
31,
8,
8
] | [
1,
1,
1
] | mp-8002 | LiGaO2 | R-3m | Ga-Li-O | 4 | # generated using pymatgen
data_LiGaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.94748856
_cell_length_b 2.94748856
_cell_length_c 5.16544511
_cell_angle_alpha 73.42272291
_cell_angle_beta 73.42272291
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.069972 | 3.7448 | null | null | 1,634.646816 | 106.837326 |
[
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3.6226246735132994,... | [
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0,
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31,
31,
31,
31,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002158342> | LiGaO2 | P4_12_12 | Ga-Li-O | 16 | # generated using pymatgen
data_LiGaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35619500
_cell_length_b 5.35619500
_cell_length_c 6.43734662
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.012288 | null | null | -0 | 1,634.646816 | 102.0354 |
[
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0,
5.205246221435027
] | [
3,
3,
31,
31,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002158341> | LiGaO2 | I4_1/amd | Ga-Li-O | 8 | # generated using pymatgen
data_LiGaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09843194
_cell_length_b 4.09843194
_cell_length_c 5.20524622
_cell_angle_alpha 113.18384970
_cell_angle_beta 113.18384970
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.094646 | null | null | 0 | 1,634.646816 | 111.52784 |
[
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2.1170299967461905,
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0.5014052196304... | [
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0,
5.412331820705698
] | [
3,
3,
31,
31,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002845089> | LiGaO2 | I-42d | Ga-Li-O | 8 | # generated using pymatgen
data_LiGaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51464997
_cell_length_b 4.51464997
_cell_length_c 5.41233182
_cell_angle_alpha 114.64978575
_cell_angle_beta 114.64978575
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.014155 | null | null | -0.000031 | 1,634.646816 | 90.890549 |
[
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3.0004069539389473,
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3.0004069539389473,
4... | [
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5.92380156
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31,
31,
31,
31,
31,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm003680477> | LiGa5O8 | F-43m | Ga-Li-O | 14 | # generated using pymatgen
data_LiGa5O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92380156
_cell_length_b 5.92380156
_cell_length_c 5.92380156
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.032106 | null | null | -0.000001 | 1,562.437028 | 140.264984 |
[
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0,
0,
6.239143459432398
] | [
62,
13,
13,
30,
30
] | [
1,
1,
1
] | mp-569657 | Sm(AlZn)2 | I4/mmm | Al-Sm-Zn | 5 | # generated using pymatgen
data_Sm(AlZn)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16703800
_cell_length_b 4.16703800
_cell_length_c 6.23914346
_cell_angle_alpha 109.50828212
_cell_angle_beta 109.50828212
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0 | 0 | null | -0 | 2,293.461857 | 67.148102 |
[
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2.599263714999999,
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3.1834349043405004,
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0,
0
] | [
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2.5992637149999998,
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2.5992637149999998,
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0,
5.19852743
] | [
62,
62,
13,
30
] | [
1,
1,
1
] | mp-972504 | Sm2AlZn | Fm-3m | Al-Sm-Zn | 4 | # generated using pymatgen
data_Sm2AlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19852743
_cell_length_b 5.19852743
_cell_length_c 5.19852743
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.014666 | 0 | null | 0.000005 | 2,756.198403 | 51.019016 |
[
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3.81320434,
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] | [
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0,
0,
7.62640868
] | [
62,
62,
13,
30
] | [
1,
1,
1
] | alex<agm001139631> | Sm2AlZn | P4/mmm | Al-Sm-Zn | 4 | # generated using pymatgen
data_Sm2AlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58639361
_cell_length_b 3.58639361
_cell_length_c 7.62640868
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.049284 | null | null | 0.00053 | 2,756.198403 | 58.140076 |
[
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] | [
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0,
0,
5.17850635
] | [
62,
62,
13,
30
] | [
1,
1,
1
] | alex<agm001198014> | Sm2AlZn | P4/mmm | Al-Sm-Zn | 4 | # generated using pymatgen
data_Sm2AlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65326068
_cell_length_b 5.17850635
_cell_length_c 5.17850635
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.052502 | null | null | 0.000169 | 2,756.198403 | 45.040546 |
[
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1.35... | [
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6.10591123
] | [
62,
62,
13,
13,
13,
13,
13,
30
] | [
1,
1,
1
] | alex<agm003479092> | Sm2Al5Zn | I4/mmm | Al-Sm-Zn | 8 | # generated using pymatgen
data_Sm2Al5Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10591123
_cell_length_b 6.10591123
_cell_length_c 6.10591123
_cell_angle_alpha 90.01854379
_cell_angle_beta 119.98929432
_cell_angle_gamma 119.98929432
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.09381 | null | null | 0.000029 | 2,377.903275 | 69.796219 |
[
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] | [
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0,
0,
5.000447019999999
] | [
57,
12,
30,
30
] | [
1,
1,
1
] | mp-862662 | LaMgZn2 | Fm-3m | La-Mg-Zn | 4 | # generated using pymatgen
data_LaMgZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00044702
_cell_length_b 5.00044702
_cell_length_c 5.00044702
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | 0 | null | -0.000124 | 2,351.179316 | 50.962986 |
[
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1.5025738120110095,
7.640753851188986,
0.8993990731881576,
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3.256758391128226... | [
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] | [
62,
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62,
62,
62,
62,
62,
62,
13,
13,
30
] | [
1,
1,
1
] | alex<agm003531509> | Sm8Al2Zn | C2/m | Al-Sm-Zn | 11 | # generated using pymatgen
data_Sm8Al2Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17908903
_cell_length_b 6.80612443
_cell_length_c 9.72783923
_cell_angle_alpha 103.30530900
_cell_angle_beta 105.43823077
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.097018 | null | null | -0.000002 | 2,954.934422 | 41.926331 |
[
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4.077457587180943,
5.248054310647246,
3.3675979418916473,
4.077457587180943,
5.... | [
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] | [
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13,
13,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30
] | [
1,
1,
1
] | alex<agm003386337> | Sm(AlZn5)2 | Fmmm | Al-Sm-Zn | 13 | # generated using pymatgen
data_Sm(AlZn5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39641801
_cell_length_b 6.86400060
_cell_length_c 6.89406633
_cell_angle_alpha 81.14987533
_cell_angle_beta 66.95952150
_cell_angle_gamma 66.85274051
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.022963 | null | null | -0.000125 | 2,053.615123 | 66.781769 |
[
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62,
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62,
13,
13,
30,
30,
30,
30,
30,
30
] | [
1,
1,
1
] | alex<agm003413302> | Sm2AlZn3 | Fmmm | Al-Sm-Zn | 12 | # generated using pymatgen
data_Sm2AlZn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83857441
_cell_length_b 5.83857441
_cell_length_c 8.59715210
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_cell_angle_beta 105.75362575
_cell_angle_gamma 101.56282716
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_chemical_formula_structur... | 0.034397 | null | null | 0.000941 | 2,542.417029 | 66.937454 |
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13,
13,
13,
30,
30,
30,
30,
30,
30,
30,
30
] | [
1,
1,
1
] | alex<agm003376667> | Sm3Al3Zn8 | Immm | Al-Sm-Zn | 14 | # generated using pymatgen
data_Sm3Al3Zn8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34909542
_cell_length_b 8.32606556
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_cell_angle_alpha 70.84790922
_cell_angle_beta 74.86029495
_cell_angle_gamma 74.86029495
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.031105 | null | null | 0.000135 | 2,343.899695 | 61.246311 |
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13,
13,
13,
13,
13,
13,
13,
13,
30,
30,
30
] | [
1,
1,
1
] | alex<agm003376668> | Sm3Al8Zn3 | Immm | Al-Sm-Zn | 14 | # generated using pymatgen
data_Sm3Al8Zn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32102843
_cell_length_b 8.34362650
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_cell_angle_alpha 74.65494900
_cell_angle_beta 74.99271453
_cell_angle_gamma 74.99271453
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_chemical_formula_structural... | 0.055873 | null | null | -0 | 2,302.045044 | 69.296013 |
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2.8... | [
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13,
13,
13,
13,
13,
13,
13,
13,
13,
30,
30
] | [
1,
1,
1
] | alex<agm003359403> | Sm3Al9Zn2 | Immm | Al-Sm-Zn | 14 | # generated using pymatgen
data_Sm3Al9Zn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32638795
_cell_length_b 8.35507218
_cell_length_c 8.35507218
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_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.037357 | null | null | 0 | 2,291.333909 | 64.182526 |
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62,
62,
62,
13,
13,
30,
30,
30,
30
] | [
1,
1,
1
] | alex<agm003339757> | Sm3(AlZn2)2 | C2/m | Al-Sm-Zn | 9 | # generated using pymatgen
data_Sm3(AlZn2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54653363
_cell_length_b 5.83655182
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_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.029013 | null | null | 0 | 2,542.679897 | 64.026871 |
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62,
62,
62,
62,
13,
30,
30,
30
] | [
1,
1,
1
] | alex<agm003554527> | Sm4AlZn3 | Pmm2 | Al-Sm-Zn | 8 | # generated using pymatgen
data_Sm4AlZn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.62520755
_cell_length_b 4.56150801
_cell_length_c 11.99848995
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.083644 | null | null | 0 | 2,745.747713 | 59.235096 |
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0,
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] | [
62,
62,
13,
13,
13,
30
] | [
1,
1,
1
] | alex<agm003413301> | Sm2Al3Zn | Pmm2 | Al-Sm-Zn | 6 | # generated using pymatgen
data_Sm2Al3Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69790059
_cell_length_b 4.54609747
_cell_length_c 7.86766190
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.032984 | null | null | 0.000013 | 2,544.220181 | 66.895393 |
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62,
62,
13,
30,
30
] | [
1,
1,
1
] | alex<agm002197906> | Sm2AlZn2 | Immm | Al-Sm-Zn | 5 | # generated using pymatgen
data_Sm2AlZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23899633
_cell_length_b 5.79585516
_cell_length_c 5.79652176
_cell_angle_alpha 119.99619590
_cell_angle_beta 111.44759010
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.074621 | null | null | 0.000634 | 2,634.059483 | 71.488701 |
[
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3.94225975... | [
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] | [
57,
57,
57,
57,
57,
12,
30,
30,
30,
30
] | [
1,
1,
1
] | alex<agm003645269> | La5MgZn4 | P4/mmm | La-Mg-Zn | 10 | # generated using pymatgen
data_La5MgZn4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79623752
_cell_length_b 3.79623752
_cell_length_c 19.09202045
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.008883 | null | null | 0.000943 | 2,715.330571 | 41.770435 |
[
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2.121932535,... | [
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62,
62,
13,
13,
13,
30,
30,
30,
30,
30
] | [
1,
1,
1
] | alex<agm003343526> | Sm2Al3Zn5 | P-4m2 | Al-Sm-Zn | 10 | # generated using pymatgen
data_Sm2Al3Zn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24386507
_cell_length_b 4.24386507
_cell_length_c 10.64618523
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.063962 | null | null | 0.00027 | 2,306.391898 | 70.117416 |
[
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7.486996511536081... | [
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62,
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62,
62,
62,
13,
30,
30,
30,
30
] | [
1,
1,
1
] | alex<agm003645528> | Sm5AlZn4 | P4/mmm | Al-Sm-Zn | 10 | # generated using pymatgen
data_Sm5AlZn4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59937016
_cell_length_b 3.59937016
_cell_length_c 18.69079055
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.041399 | null | null | 0.002114 | 2,743.773372 | 62.479256 |
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62,
62,
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13,
13,
13,
13,
30,
30
] | [
1,
1,
1
] | alex<agm003339758> | Sm3(Al2Zn)2 | C2/m | Al-Sm-Zn | 9 | # generated using pymatgen
data_Sm3(Al2Zn)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54330521
_cell_length_b 5.87309933
_cell_length_c 8.68388861
_cell_angle_alpha 70.33145799
_cell_angle_beta 74.83533826
_cell_angle_gamma 67.24512615
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.032405 | null | null | 0.000336 | 2,543.877803 | 67.825989 |
[
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0... | [
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62,
62,
62,
62,
13,
13,
13,
13,
30
] | [
1,
1,
1
] | alex<agm003645529> | Sm5Al4Zn | P4/mmm | Al-Sm-Zn | 10 | # generated using pymatgen
data_Sm5Al4Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.64269107
_cell_length_b 3.64269107
_cell_length_c 18.56989164
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.063507 | null | null | 0.000116 | 2,770.171734 | 50.257439 |
[
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3.892473400... | [
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] | [
64,
64,
64,
64,
48,
48,
46,
46,
46,
46
] | [
1,
1,
1
] | mp-603326 | Gd2CdPd2 | P4/mbm | Cd-Gd-Pd | 10 | # generated using pymatgen
data_Gd2CdPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78942629
_cell_length_b 7.78494680
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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 | 0 | null | 0.124687 | 4,413.911506 | 92.789772 |
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48,
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34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | mp-574426 | CsCeCdSe3 | Cmcm | Cd-Ce-Cs-Se | 12 | # generated using pymatgen
data_CsCeCdSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44670600
_cell_length_b 8.39333794
_cell_length_c 11.56323600
_cell_angle_alpha 90.00000000
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_cell_angle_gamma 105.36071198
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0 | 0.0184 | null | 0.004806 | 2,937.428949 | 23.453035 |
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1,
1
] | alex<agm005024783> | CsCeCdSe3 | P2_1/m | Cd-Ce-Cs-Se | 12 | # generated using pymatgen
data_CsCeCdSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45783457
_cell_length_b 9.69559277
_cell_length_c 10.65384931
_cell_angle_alpha 108.97842397
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.033555 | null | null | 0.004564 | 2,937.428949 | 24.169054 |
[
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1.44081799249... | [
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58,
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48,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm005052294> | CsCeCdSe4 | P2_1/m | Cd-Ce-Cs-Se | 14 | # generated using pymatgen
data_CsCeCdSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76327197
_cell_length_b 7.71503026
_cell_length_c 10.54997641
_cell_angle_alpha 107.41208422
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.065115 | null | null | 0.000823 | 2,820.619299 | 19.398685 |
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0,
4.461153555,
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4.24677... | [
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55,
55,
58,
58,
48,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm004583637> | Cs2Ce2CdSe6 | C2/m | Cd-Ce-Cs-Se | 11 | # generated using pymatgen
data_Cs2Ce2CdSe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.28550823
_cell_length_b 7.36943369
_cell_length_c 8.92230711
_cell_angle_alpha 82.54424577
_cell_angle_beta 74.78091510
_cell_angle_gamma 60.37601290
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.017151 | null | null | 0.000171 | 3,099.999842 | 25.310328 |
[
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] | [
56,
3,
3,
12,
12,
32,
32
] | [
1,
1,
1
] | mp-569396 | BaLi2(MgGe)2 | R-3m | Ba-Ge-Li-Mg | 7 | # generated using pymatgen
data_BaLi2(MgGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62126333
_cell_length_b 4.62126333
_cell_length_c 9.16271716
_cell_angle_alpha 75.39359348
_cell_angle_beta 75.39359348
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 0 | 0 | null | -0 | 1,954.492769 | 37.070152 |
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1.19056106701392e-16
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0,
5.43949289
] | [
57,
57,
12,
30
] | [
1,
1,
1
] | alex<agm001215006> | La2MgZn | P4/mmm | La-Mg-Zn | 4 | # generated using pymatgen
data_La2MgZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88866755
_cell_length_b 5.43949289
_cell_length_c 5.43949289
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.048334 | null | null | -0.000002 | 2,714.492012 | 38.679302 |
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] | [
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3,
12,
32,
32
] | [
1,
1,
1
] | alex<agm005016696> | BaLiMgGe2 | I-4m2 | Ba-Ge-Li-Mg | 5 | # generated using pymatgen
data_BaLiMgGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65563463
_cell_length_b 4.65563463
_cell_length_c 6.51800144
_cell_angle_alpha 110.92445277
_cell_angle_beta 110.92445277
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.074132 | null | null | 0.000028 | 2,017.469325 | 39.13184 |
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2.16622... | [
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55,
55,
19,
65,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | mp-580631 | Cs2KTbCl6 | Fm-3m | Cl-Cs-K-Tb | 10 | # generated using pymatgen
data_Cs2KTbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04335802
_cell_length_b 8.04335802
_cell_length_c 8.04335802
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.011977 | 5.0878 | null | -0.000001 | 3,973.259361 | 8.930367 |
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3.96... | [
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17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm004933525> | Cs2KTbCl6 | P2_1/c | Cl-Cs-K-Tb | 20 | # generated using pymatgen
data_Cs2KTbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.93585707
_cell_length_b 8.10399076
_cell_length_c 11.31676618
_cell_angle_alpha 90.00000000
_cell_angle_beta 89.95358568
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0 | null | null | -0 | 3,973.259361 | 10.549074 |
[
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8.144603129873182,
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7.62170324158... | [
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] | [
55,
19,
19,
65,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm004963667> | CsK2TbCl6 | R3 | Cl-Cs-K-Tb | 10 | # generated using pymatgen
data_CsK2TbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.86891074
_cell_length_b 7.86891074
_cell_length_c 8.30153845
_cell_angle_alpha 61.70945410
_cell_angle_beta 61.70945410
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.021821 | null | null | 0.000008 | 3,727.517728 | 12.085507 |
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... | [
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26,
26,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm004677046> | KRb3Fe2F9 | P-3m1 | F-Fe-K-Rb | 15 | # generated using pymatgen
data_KRb3Fe2F9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.18078770
_cell_length_b 6.18078770
_cell_length_c 7.74036303
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.055979 | null | null | 0.035155 | 3,861.743607 | 31.887293 |
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1.060475086102765,
3.68175850562322,
3.651866... | [
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19,
37,
37,
26,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm005178151> | KRb2FeF5 | Immm | F-Fe-K-Rb | 9 | # generated using pymatgen
data_KRb2FeF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20675204
_cell_length_b 6.32554076
_cell_length_c 7.54243636
_cell_angle_alpha 114.79229934
_cell_angle_beta 106.19290719
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.044221 | null | null | 0.023078 | 4,233.625699 | 35.742916 |
[
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... | [
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-6068 | Sr2TbRuO6 | P2_1/c | O-Ru-Sr-Tb | 20 | # generated using pymatgen
data_Sr2TbRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82291100
_cell_length_b 5.89708100
_cell_length_c 8.26700473
_cell_angle_alpha 90.00000000
_cell_angle_beta 89.57658841
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0 | 0.1879 | null | 0.021135 | 3,529.432842 | 118.509743 |
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2.502815012596868,
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4.335002763763... | [
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] | [
38,
38,
65,
44,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002299737> | Sr2TbRuO6 | Fm-3m | O-Ru-Sr-Tb | 10 | # generated using pymatgen
data_Sr2TbRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89652732
_cell_length_b 5.89652732
_cell_length_c 5.89652732
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.049155 | null | null | 0.020631 | 3,529.432842 | 118.610634 |
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... | [
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8,
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8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm005076451> | SrTbRuO6 | P-31c | O-Ru-Sr-Tb | 18 | # generated using pymatgen
data_SrTbRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58813218
_cell_length_b 5.58813218
_cell_length_c 10.35330451
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.054157 | null | null | 0.007123 | 3,634.003799 | 94.862961 |
[
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4.995467293638278,
1.267610104875082,
8.652403160130... | [
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] | [
55,
55,
19,
39,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-6059 | Cs2KYF6 | Fm-3m | Cs-F-K-Y | 10 | # generated using pymatgen
data_Cs2KYF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80326809
_cell_length_b 6.80326809
_cell_length_c 6.80326809
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.003246 | 6.464 | null | -0.000001 | 4,486.982009 | 32.173374 |
[
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3.1885652078837365,
2.222183110477056,
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0,
6.423691803170806
] | [
57,
57,
12,
30
] | [
1,
1,
1
] | alex<agm003165333> | La2MgZn | Imm2 | La-Mg-Zn | 4 | # generated using pymatgen
data_La2MgZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74208544
_cell_length_b 5.43924223
_cell_length_c 6.42369180
_cell_angle_alpha 115.04775689
_cell_angle_beta 106.93413498
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.061699 | null | null | -0.000002 | 2,714.492012 | 38.43399 |
[
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0.011379... | [
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4.1438527803316326e-16,
-4.172820438852556e-16,
6.8147329364806835,
0.0227589348137472,
0,
0,
9.57561404
] | [
55,
55,
55,
55,
19,
19,
39,
39,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm004927184> | Cs2KYF6 | P2_1/c | Cs-F-K-Y | 20 | # generated using pymatgen
data_Cs2KYF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.76742516
_cell_length_b 6.81477094
_cell_length_c 9.57561404
_cell_angle_alpha 89.80865192
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | 0.000033 | 4,486.982009 | 24.934526 |
[
3.4425227800000004,
1.9875414537244185,
5.997002697010328,
0,
0,
0,
-2.5479787021017365e-16,
3.9750829074488374,
2.5751899729896746,
3.4425227800000004,
1.9875414537244185,
1.679503762880391,
-2.5479787021017365e-16,
3.9750829074488374,
6.892688907119612,
0,
0,
4.286096335,
-8.15... | [
6.885045560000001,
0,
1.950374671612926e-15,
-3.4425227800000022,
5.962624361173256,
4.215874503518848e-16,
0,
0,
8.57219267
] | [
55,
55,
55,
19,
19,
39,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm004676329> | Cs3K2YF9 | P-3m1 | Cs-F-K-Y | 15 | # generated using pymatgen
data_Cs3K2YF9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.88504556
_cell_length_b 6.88504556
_cell_length_c 8.57219267
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.045397 | null | null | 0.002672 | 4,672.810241 | 29.064426 |
[
0,
0,
11.0532825,
0,
0,
3.6844275,
3.306170249999999,
1.908818283824232,
11.053282500000002,
-1.2809139119755268e-15,
3.8176365676484645,
3.684427500000001,
-1.2809139119755268e-15,
3.8176365676484645,
12.19452654927,
-1.2809139119755268e-15,
3.8176365676484645,
9.912038450730002,
... | [
6.612340500000001,
0,
1.8731236153621547e-15,
-3.3061702500000023,
5.726454851472696,
4.048890814098705e-16,
0,
0,
14.73771
] | [
29,
29,
83,
83,
15,
15,
15,
15,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | mp-569715 | CuBi(PSe3)2 | P-31c | Bi-Cu-P-Se | 20 | # generated using pymatgen
data_CuBi(PSe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61234050
_cell_length_b 6.61234050
_cell_length_c 14.73771000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 0.012577 | 0.4199 | null | -0 | 3,173.929844 | 9.968668 |
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