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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80,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002307122> | SmHgPd4 | F-43m | Hg-Pd-Sm | 6 | # generated using pymatgen
data_SmHgPd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41192173
_cell_length_b 5.41192173
_cell_length_c 5.41192173
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | 0.000015 | 5,785.747396 | 117.124344 |
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46,
46
] | [
1,
1,
1
] | alex<agm002234619> | SmHg2Pd | Cmcm | Hg-Pd-Sm | 8 | # generated using pymatgen
data_SmHg2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20001515
_cell_length_b 5.53315841
_cell_length_c 8.53025917
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.02248 | null | null | -0.000058 | 3,892.53754 | 61.726013 |
[
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80,
46
] | [
1,
1,
1
] | alex<agm001095891> | SmHg2Pd | Fm-3m | Hg-Pd-Sm | 4 | # generated using pymatgen
data_SmHg2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01280710
_cell_length_b 5.01280710
_cell_length_c 5.01280710
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.092828 | null | null | -0.000049 | 3,892.53754 | 58.936638 |
[
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3.5579259... | [
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62,
80,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003471747> | Sm2HgPd5 | I4/mmm | Hg-Pd-Sm | 8 | # generated using pymatgen
data_Sm2HgPd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95750578
_cell_length_b 5.95750578
_cell_length_c 5.95750578
_cell_angle_alpha 92.95784636
_cell_angle_beta 118.30723484
_cell_angle_gamma 118.30723484
_symmetry_Int_Tables_number 1
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[
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62,
62,
62,
62,
80,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003554871> | Sm4HgPd3 | Pmm2 | Hg-Pd-Sm | 8 | # generated using pymatgen
data_Sm4HgPd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83774201
_cell_length_b 4.69771925
_cell_length_c 11.03220137
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.043131 | null | null | 0.000001 | 4,495.15558 | 67.271309 |
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62,
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62,
62,
62,
62,
80,
46,
46
] | [
1,
1,
1
] | alex<agm003533020> | Sm8HgPd2 | C2/m | Hg-Pd-Sm | 11 | # generated using pymatgen
data_Sm8HgPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24553917
_cell_length_b 6.99210151
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_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.075185 | null | null | 0.000289 | 3,745.245033 | 50.334766 |
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4.87038273
] | [
62,
80,
46,
46
] | [
1,
1,
1
] | alex<agm002179463> | SmHgPd2 | Fm-3m | Hg-Pd-Sm | 4 | # generated using pymatgen
data_SmHgPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87038273
_cell_length_b 4.87038273
_cell_length_c 4.87038273
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.056598 | null | null | 0 | 4,949.830611 | 82.515678 |
[
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0.5752782... | [
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32,
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32,
32,
32,
32,
32,
46,
46,
46,
46
] | [
1,
1,
1
] | mp-1189703 | YbGe2Pd | Immm | Ge-Pd-Yb | 16 | # generated using pymatgen
data_YbGe2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42558200
_cell_length_b 9.01677800
_cell_length_c 9.49064408
_cell_angle_alpha 118.36163499
_cell_angle_beta 103.48289051
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0 | 0 | null | 0.000002 | 3,917.257616 | 69.591774 |
[
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... | [
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46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003303003> | Sm2Hg2Pd15 | R-3m | Hg-Pd-Sm | 19 | # generated using pymatgen
data_Sm2Hg2Pd15
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.04447954
_cell_length_b 7.04447954
_cell_length_c 7.04447954
_cell_angle_alpha 82.23179818
_cell_angle_beta 82.23179818
_cell_angle_gamma 82.23179818
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.072525 | null | null | 0.001453 | 6,503.476634 | 110.483162 |
[
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0,
11.31860704
] | [
62,
62,
62,
80,
46,
46
] | [
1,
1,
1
] | alex<agm002350817> | Sm3HgPd2 | P4/mmm | Hg-Pd-Sm | 6 | # generated using pymatgen
data_Sm3HgPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59681914
_cell_length_b 3.59681914
_cell_length_c 11.31860704
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.071869 | null | null | 0 | 4,306.366612 | 54.371655 |
[
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4.4179328... | [
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80,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003567935> | Sm3HgPd5 | P6_3/mcm | Hg-Pd-Sm | 18 | # generated using pymatgen
data_Sm3HgPd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89057708
_cell_length_b 8.63478280
_cell_length_c 8.63478280
_cell_angle_alpha 120.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.088251 | null | null | -0.000207 | 5,302.530897 | 81.836273 |
[
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2.1767124065671175,
3.16393686212... | [
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62,
62,
62,
62,
62,
62,
62,
62,
80,
80,
46
] | [
1,
1,
1
] | alex<agm003533019> | Sm8Hg2Pd | C2/m | Hg-Pd-Sm | 11 | # generated using pymatgen
data_Sm8Hg2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21740173
_cell_length_b 6.97794129
_cell_length_c 9.52638970
_cell_angle_alpha 100.43109526
_cell_angle_beta 105.89286207
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.078216 | null | null | 0.000254 | 3,404.860624 | 29.006044 |
[
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2.7818037852245707,
3.723556465,
-0.92... | [
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] | [
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80,
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80,
80,
80,
80,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003336222> | Sm2Hg3Pd4 | Cmce | Hg-Pd-Sm | 18 | # generated using pymatgen
data_Sm2Hg3Pd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.86338314
_cell_length_b 7.44711293
_cell_length_c 9.28757848
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.40049650
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.08586 | null | null | 0.000032 | 4,670.455589 | 82.436462 |
[
1.2976218374999997,
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3.269765226577613e-8,
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... | [
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] | [
55,
55,
77,
77,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm003718735> | CsIrO3 | P6_3/mmc | Cs-Ir-O | 10 | # generated using pymatgen
data_CsIrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19048735
_cell_length_b 6.53953055
_cell_length_c 6.53953055
_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 | 6,889.47797 | 51.952744 |
[
4.598057416716776,
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8.454918071241746,
6.209218632603915,
3.8787510809324246,
7.170197999248279,
1.2407875838395155,
0.7750904689930015,
4.756007453898021,
5.270629431903798,
0.6482604421548559,
4.94969749993205... | [
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1.8144110015731496,
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4.653841549925426,
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] | [
55,
55,
77,
77,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002302756> | CsIrO3 | R-3 | Cs-Ir-O | 10 | # generated using pymatgen
data_CsIrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48723315
_cell_length_b 5.48723315
_cell_length_c 8.29738345
_cell_angle_alpha 70.69113278
_cell_angle_beta 70.69113278
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.047803 | null | null | 0 | 6,889.47797 | 74.803085 |
[
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2.739114054554736,
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1.545481996094693... | [
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5.478228109109472,
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] | [
55,
55,
55,
77,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm003579387> | Cs3IrO6 | Fmmm | Cs-Ir-O | 10 | # generated using pymatgen
data_Cs3IrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.47624904
_cell_length_b 6.47624904
_cell_length_c 6.78290887
_cell_angle_alpha 113.01288563
_cell_angle_beta 113.01288563
_cell_angle_gamma 100.43388163
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0 | null | null | 0 | 6,098.834705 | 24.595291 |
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8,
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8
] | [
1,
1,
1
] | alex<agm003542659> | Cs3IrO3 | P6_3/mmc | Cs-Ir-O | 14 | # generated using pymatgen
data_Cs3IrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.12244435
_cell_length_b 8.76029290
_cell_length_c 8.76029290
_cell_angle_alpha 119.87911700
_cell_angle_beta 90.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.051494 | null | null | 0 | 6,519.433728 | 20.205025 |
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8,
8,
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] | [
1,
1,
1
] | alex<agm003440320> | Cs2IrO4 | I4/mmm | Cs-Ir-O | 7 | # generated using pymatgen
data_Cs2IrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.28992591
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_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.00674 | null | null | 0.005261 | 6,467.191542 | 21.689428 |
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32,
32,
32,
32,
46,
46
] | [
1,
1,
1
] | alex<agm002214169> | YbGe2Pd | P2_1/m | Ge-Pd-Yb | 8 | # generated using pymatgen
data_YbGe2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02533767
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_cell_length_c 9.66388456
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.075443 | null | null | -0.000016 | 3,917.257616 | 72.002266 |
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] | [
1,
1,
1
] | alex<agm003675359> | Cs5IrO6 | C2/m | Cs-Ir-O | 12 | # generated using pymatgen
data_Cs5IrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80167708
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | 0.007254 | 6,071.260211 | 28.180584 |
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14,
14,
14,
14,
46,
46,
46,
46
] | [
1,
1,
1
] | mp-568625 | La3(SiPd)4 | Immm | La-Pd-Si | 11 | # generated using pymatgen
data_La3(SiPd)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25709905
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_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0 | 0 | null | null | 5,037.613257 | 99.904053 |
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3.917176687822... | [
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46,
46,
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46,
46,
46,
46,
46
] | [
1,
1,
1
] | mp-571217 | La3SiPd5 | Imma | La-Pd-Si | 18 | # generated using pymatgen
data_La3SiPd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.53277094
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_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0 | 0 | null | null | 5,708.563279 | 95.824333 |
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57,
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14,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003553302> | La4SiPd3 | Pmm2 | La-Pd-Si | 8 | # generated using pymatgen
data_La4SiPd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17633533
_cell_length_b 4.43651192
_cell_length_c 11.25331069
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.014486 | null | null | 0.000184 | 4,767.163713 | 69.184807 |
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0.426467232119834... | [
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14,
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46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003427877> | La2SiPd3 | Fmmm | La-Pd-Si | 12 | # generated using pymatgen
data_La2SiPd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.96892897
_cell_length_b 5.96892897
_cell_length_c 8.70192287
_cell_angle_alpha 108.10388928
_cell_angle_beta 108.10388928
_cell_angle_gamma 95.39147254
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.06554 | null | null | 0.000054 | 5,508.028381 | 89.065483 |
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] | [
57,
57,
14,
14,
46,
46
] | [
1,
1,
1
] | alex<agm002187967> | LaSiPd | I4_1md | La-Pd-Si | 6 | # generated using pymatgen
data_LaSiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28208101
_cell_length_b 4.28208101
_cell_length_c 7.99184619
_cell_angle_alpha 105.53952812
_cell_angle_beta 105.53952812
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.007918 | null | null | 0.000001 | 4,791.513877 | 87.530426 |
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4.30225383
] | [
57,
14,
46
] | [
1,
1,
1
] | alex<agm001261351> | LaSiPd | P-6m2 | La-Pd-Si | 3 | # generated using pymatgen
data_LaSiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26880952
_cell_length_b 4.26880952
_cell_length_c 4.30225383
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.029643 | null | null | -0.000059 | 4,791.513877 | 90.708656 |
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14,
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14,
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46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002242224> | LaSiPd | P2_1/c | La-Pd-Si | 12 | # generated using pymatgen
data_LaSiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87732294
_cell_length_b 5.90175259
_cell_length_c 7.76621729
_cell_angle_alpha 107.83315272
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.07209 | null | null | 0.000414 | 4,791.513877 | 82.111938 |
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14,
46,
46
] | [
1,
1,
1
] | alex<agm002242225> | LaSiPd | P6_3/mmc | La-Pd-Si | 6 | # generated using pymatgen
data_LaSiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26782567
_cell_length_b 4.26782567
_cell_length_c 8.62910090
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.026125 | null | null | -0.000006 | 4,791.513877 | 90.470566 |
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14,
14,
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46,
46,
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46
] | [
1,
1,
1
] | alex<agm002242227> | LaSiPd | Pnma | La-Pd-Si | 12 | # generated using pymatgen
data_LaSiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50448553
_cell_length_b 7.51622777
_cell_length_c 7.52654255
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.068038 | null | null | -0.000002 | 4,791.513877 | 92.386696 |
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70,
70,
32,
32,
46,
46
] | [
1,
1,
1
] | mp-1215631 | YbGePd | C2/m | Ge-Pd-Yb | 6 | # generated using pymatgen
data_YbGePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50746400
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_cell_angle_alpha 78.61849568
_cell_angle_beta 66.71528986
_cell_angle_gamma 66.17190560
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.055731 | 0 | null | -0 | 4,333.428003 | 68.856964 |
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1.15881571057886... | [
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46,
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] | [
1,
1,
1
] | alex<agm002187970> | LaSiPd | P2_13 | La-Pd-Si | 12 | # generated using pymatgen
data_LaSiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.49468744
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.032289 | null | null | -0.000045 | 4,791.513877 | 71.593788 |
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1,
1
] | alex<agm003683751> | La(SiPd2)6 | R-3m | La-Pd-Si | 19 | # generated using pymatgen
data_La(SiPd2)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.08639124
_cell_length_b 7.08639124
_cell_length_c 7.08639124
_cell_angle_alpha 105.14302151
_cell_angle_beta 105.14302151
_cell_angle_gamma 105.14302151
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 0.062938 | null | null | 0.000008 | 6,825.953575 | 148.908752 |
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14,
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46,
46,
46
] | [
1,
1,
1
] | alex<agm003338203> | La3(SiPd2)2 | C2/m | La-Pd-Si | 9 | # generated using pymatgen
data_La3(SiPd2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41020744
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14,
46
] | [
1,
1,
1
] | alex<agm001990356> | LaSi2Pd | R-3m | La-Pd-Si | 4 | # generated using pymatgen
data_LaSi2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15128108
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_cell_length_c 5.86949248
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.054393 | null | null | -0 | 4,438.320479 | 91.824509 |
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46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003634130> | LaSi2Pd | Immm | La-Pd-Si | 16 | # generated using pymatgen
data_LaSi2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43232845
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_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.065883 | null | null | -0.000042 | 4,438.320479 | 102.333389 |
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14,
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46,
46
] | [
1,
1,
1
] | alex<agm002186383> | LaSi2Pd | Cmcm | La-Pd-Si | 8 | # generated using pymatgen
data_LaSi2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23346159
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_cell_length_c 8.84961742
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_chemical_formula_structural ... | 0.001383 | null | null | -0.000005 | 4,438.320479 | 97.580963 |
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14,
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46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002242182> | LaSiPd2 | Cmcm | La-Pd-Si | 8 | # generated using pymatgen
data_LaSiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13857146
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_cell_angle_alpha 90.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.052411 | null | null | -0.000001 | 5,690.458724 | 108.850143 |
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14,
46,
46
] | [
1,
1,
1
] | alex<agm001990357> | LaSiPd2 | R-3m | La-Pd-Si | 4 | # generated using pymatgen
data_LaSiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26303958
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_chemical_formula_structural ... | 0.08833 | null | null | 0 | 5,690.458724 | 105.385918 |
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46,
46,
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46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002187933> | LaSiPd2 | Pnma | La-Pd-Si | 16 | # generated using pymatgen
data_LaSiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80776787
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_cell_angle_alpha 90.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | -0.000073 | 5,690.458724 | 106.984932 |
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57,
14,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003506236> | La2SiPd6 | P-3m1 | La-Pd-Si | 9 | # generated using pymatgen
data_La2SiPd6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81328605
_cell_length_b 5.81328605
_cell_length_c 5.88165536
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.000864 | null | null | 0.000005 | 6,350.439446 | 106.249672 |
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32,
32,
32,
32,
32,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | mp-568724 | YbGePd | Imm2 | Ge-Pd-Yb | 18 | # generated using pymatgen
data_YbGePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44504600
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_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0 | 0 | null | 0.000005 | 4,333.428003 | 73.614388 |
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46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003595388> | La(SiPd)4 | P4_2/nmc | La-Pd-Si | 18 | # generated using pymatgen
data_La(SiPd)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07343525
_cell_length_b 6.07343525
_cell_length_c 8.36118848
_cell_angle_alpha 90.00000000
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_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.06733 | null | null | -0.00001 | 5,832.809469 | 111.251312 |
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46,
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46,
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] | [
1,
1,
1
] | alex<agm003475362> | LaSi2Pd5 | Immm | La-Pd-Si | 8 | # generated using pymatgen
data_LaSi2Pd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98376569
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_cell_angle_alpha 67.46722463
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_cell_angle_gamma 71.80748695
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.029955 | null | null | 0.000068 | 6,523.283072 | 129.760117 |
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46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002188656> | La(SiPd)2 | P4/nmm | La-Pd-Si | 10 | # generated using pymatgen
data_La(SiPd)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32612508
_cell_length_b 4.32612508
_cell_length_c 9.93580125
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.028071 | null | null | 0.000348 | 5,367.515455 | 109.496704 |
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0.41595231030173... | [
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46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003662758> | La(Si2Pd3)2 | P-6m2 | La-Pd-Si | 11 | # generated using pymatgen
data_La(Si2Pd3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96712740
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_cell_angle_alpha 120.00000000
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_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 0.011434 | null | null | 0.000008 | 6,351.220007 | 137.882278 |
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] | [
55,
68,
16,
16
] | [
1,
1,
1
] | mp-561751 | CsErS2 | R-3m | Cs-Er-S | 4 | # generated using pymatgen
data_CsErS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07166692
_cell_length_b 4.07166692
_cell_length_c 8.39026440
_cell_angle_alpha 75.95745344
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_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.001589 | 2.1441 | null | null | 3,788.324539 | 32.977829 |
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] | [
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68,
68,
16,
16,
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16
] | [
1,
1,
1
] | alex<agm002236597> | CsErS2 | P6_3/mmc | Cs-Er-S | 8 | # generated using pymatgen
data_CsErS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07090256
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_cell_length_c 16.08434380
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_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | 0.000084 | 3,788.324539 | 34.289055 |
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] | [
55,
68,
16,
16
] | [
1,
1,
1
] | alex<agm005114255> | CsErS2 | R3m | Cs-Er-S | 4 | # generated using pymatgen
data_CsErS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06030415
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_cell_length_c 8.45481163
_cell_angle_alpha 76.10649776
_cell_angle_beta 76.10649776
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.016572 | null | null | 0 | 3,788.324539 | 32.094273 |
[
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0,
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60,
81,
34,
34
] | [
1,
1,
1
] | mp-568588 | NdTlSe2 | R-3m | Nd-Se-Tl | 4 | # generated using pymatgen
data_NdTlSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33130603
_cell_length_b 4.33130603
_cell_length_c 8.16913519
_cell_angle_alpha 74.62699397
_cell_angle_beta 74.62699397
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | 1.2255 | null | 0 | 4,097.737458 | 36.858437 |
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60,
81,
34,
34
] | [
1,
1,
1
] | alex<agm005111371> | NdTlSe2 | R3m | Nd-Se-Tl | 4 | # generated using pymatgen
data_NdTlSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31690853
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.023776 | null | null | -0 | 4,097.737458 | 33.14579 |
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60,
60,
81,
81,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002315306> | NdTlSe2 | P6_3/mmc | Nd-Se-Tl | 8 | # generated using pymatgen
data_NdTlSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32059345
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_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.006329 | null | null | 0.00006 | 4,097.737458 | 37.817524 |
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6.60306773
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12,
12,
50,
50,
50,
50,
50,
50
] | [
1,
1,
1
] | mp-978257 | MgSn3 | P6_3/mmc | Mg-Sn | 8 | # generated using pymatgen
data_MgSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55411800
_cell_length_b 6.60306773
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.055132 | 0 | null | -0.000164 | 1,529.723869 | 45.31179 |
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1.9220714543062343,
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0,
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12,
12,
12,
12,
48,
48
] | [
1,
1,
1
] | mp-1094985 | Mg2Cd | C2/c | Cd-Mg | 6 | # generated using pymatgen
data_Mg2Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29874200
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_cell_angle_alpha 65.19549881
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_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | 0.026702 | 0 | null | -0.000037 | 1,058.491128 | 38.988789 |
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70,
70,
32,
32,
46,
46
] | [
1,
1,
1
] | alex<agm002215092> | YbGePd | P6_3/mmc | Ge-Pd-Yb | 6 | # generated using pymatgen
data_YbGePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43216452
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_cell_angle_alpha 90.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.092546 | null | null | -0.000001 | 4,333.428003 | 75.755272 |
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2.969180591439189... | [
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60,
81,
81,
81,
81,
81,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003673269> | Nd(TlSe)5 | C2/m | Nd-Se-Tl | 11 | # generated using pymatgen
data_Nd(TlSe)5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93836124
_cell_length_b 7.82860178
_cell_length_c 9.20448206
_cell_angle_alpha 107.00920359
_cell_angle_beta 90.00000000
_cell_angle_gamma 112.28868426
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.077635 | null | null | 0.000034 | 5,022.380448 | 31.240524 |
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... | [
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5.54645329
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28,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-560023 | NiSnF6 | R-3 | F-Ni-Sn | 8 | # generated using pymatgen
data_NiSnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21380992
_cell_length_b 5.21380992
_cell_length_c 5.54645329
_cell_angle_alpha 61.96486187
_cell_angle_beta 61.96486187
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | 0 | 30.977333 | 0.018236 | 1,540.738682 | 21.540327 |
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5.35947886
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28,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002270899> | NiSnF6 | C2/m | F-Ni-Sn | 8 | # generated using pymatgen
data_NiSnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24562618
_cell_length_b 5.35947886
_cell_length_c 5.35947886
_cell_angle_alpha 64.39308482
_cell_angle_beta 62.31778493
_cell_angle_gamma 62.31778493
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.009115 | null | null | 0.017615 | 1,540.738682 | 25.134607 |
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... | [
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] | [
28,
50,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002389761> | NiSnF6 | Fm-3m | F-Ni-Sn | 8 | # generated using pymatgen
data_NiSnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66268402
_cell_length_b 5.66268402
_cell_length_c 5.66268402
_cell_angle_alpha 60.00000000
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_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.01322 | null | null | 0.015579 | 1,540.738682 | 64.747894 |
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] | [
56,
56,
27,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-555162 | Ba2CoF6 | I4/mmm | Ba-Co-F | 9 | # generated using pymatgen
data_Ba2CoF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11532400
_cell_length_b 4.11532400
_cell_length_c 8.99130766
_cell_angle_alpha 103.22938403
_cell_angle_beta 103.22938403
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.055861 | 2.448 | 58.174611 | 0.020822 | 2,148.922164 | 59.168755 |
[
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3... | [
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56,
56,
27,
27,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-556101 | BaCoF4 | Cmc2_1 | Ba-Co-F | 12 | # generated using pymatgen
data_BaCoF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22761400
_cell_length_b 6.00806800
_cell_length_c 7.72645598
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.87743377
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.001312 | 0 | 56.292712 | 0.031787 | 2,163.28341 | 59.02779 |
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... | [
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5.68564905
] | [
56,
27,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002269558> | BaCoF6 | R-3m | Ba-Co-F | 8 | # generated using pymatgen
data_BaCoF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26741683
_cell_length_b 5.27568528
_cell_length_c 5.68564905
_cell_angle_alpha 62.58280333
_cell_angle_beta 62.44720712
_cell_angle_gamma 60.06670903
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.031513 | null | null | 0.008627 | 2,082.050206 | 38.175751 |
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2.8868358015984423,
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... | [
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56,
27,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002269557> | BaCoF6 | R-3m | Ba-Co-F | 8 | # generated using pymatgen
data_BaCoF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87345432
_cell_length_b 4.93765045
_cell_length_c 4.93765045
_cell_angle_alpha 98.80415173
_cell_angle_beta 98.65483250
_cell_angle_gamma 98.65483250
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | 0.008758 | 2,082.050206 | 39.972095 |
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... | [
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56,
5,
5,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-558430 | BaB2F8 | C2/m | B-Ba-F | 11 | # generated using pymatgen
data_BaB2F8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85647057
_cell_length_b 5.11025600
_cell_length_c 6.87391743
_cell_angle_alpha 111.82133297
_cell_angle_beta 110.37221084
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | 8.0511 | null | 0.000017 | 1,888.094375 | 22.525774 |
[
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0.17455682035014655,
2.621980525297401,
2.949215160860... | [
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] | [
56,
5,
5,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003523358> | BaB2F8 | C2/m | B-Ba-F | 11 | # generated using pymatgen
data_BaB2F8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24396100
_cell_length_b 5.42123302
_cell_length_c 6.66293559
_cell_angle_alpha 112.40181099
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.92407579
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.013593 | null | null | 0.000069 | 1,888.094375 | 26.861385 |
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32,
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] | [
1,
1,
1
] | alex<agm002215091> | YbGePd | P2_1/c | Ge-Pd-Yb | 12 | # generated using pymatgen
data_YbGePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71640416
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.048876 | null | null | -0 | 4,333.428003 | 68.622238 |
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8,
8,
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8,
8,
8,
8
] | [
1,
1,
1
] | mp-559437 | Zn(CO2)2 | P2_1/c | C-O-Zn | 14 | # generated using pymatgen
data_Zn(CO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31173100
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_chemical_formula_structural... | 0.059414 | 3.2028 | null | -0.000005 | 1,096.844122 | 96.521706 |
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55,
27,
27,
16,
16
] | [
1,
1,
1
] | mp-557018 | Cs(CoS)2 | I4/mmm | Co-Cs-S | 5 | # generated using pymatgen
data_Cs(CoS)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79319547
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_chemical_formula_structura... | 0.019294 | 0 | 47.557959 | null | 3,746.570542 | 50.971272 |
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16,
16,
16
] | [
1,
1,
1
] | alex<agm002312179> | Cs2Co3S4 | R-3m | Co-Cs-S | 9 | # generated using pymatgen
data_Cs2Co3S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78723797
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_chemical_formula_structural ... | 0 | null | null | 0.012914 | 3,854.612115 | 23.351372 |
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16,
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] | [
1,
1,
1
] | alex<agm002183625> | Cs2Co3S4 | Fmmm | Co-Cs-S | 9 | # generated using pymatgen
data_Cs2Co3S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75701573
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_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.003429 | null | null | 0.012992 | 3,854.612115 | 24.391655 |
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21,
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9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-559598 | LiScF4 | I4_1/a | F-Li-Sc | 12 | # generated using pymatgen
data_LiScF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03975598
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_chemical_formula_structural ... | 0.031699 | 6.1137 | 85.637348 | null | 2,701.093171 | 86.968872 |
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] | [
1,
1,
1
] | alex<agm003485521> | LiSc2F6 | P4_2/mnm | F-Li-Sc | 18 | # generated using pymatgen
data_LiSc2F6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92978442
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_chemical_formula_structural ... | 0.073735 | null | null | 0.008778 | 2,868.202118 | 75.165199 |
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21,
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9,
9
] | [
1,
1,
1
] | alex<agm002156261> | Li2ScF6 | P-31m | F-Li-Sc | 9 | # generated using pymatgen
data_Li2ScF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54111878
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_chemical_formula_structural ... | 0.072372 | null | null | 0.009818 | 2,497.227334 | 54.624462 |
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] | [
1,
1,
1
] | alex<agm003503666> | Li2ScF6 | P4_2/mnm | F-Li-Sc | 18 | # generated using pymatgen
data_Li2ScF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78606036
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.08282 | null | null | 0.009281 | 2,497.227334 | 55.936459 |
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70,
15,
15,
44,
44
] | [
1,
1,
1
] | mp-568095 | Yb(PRu)2 | I4/mmm | P-Ru-Yb | 5 | # generated using pymatgen
data_Yb(PRu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06844000
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_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0 | 0 | null | 0.000114 | 5,649.327111 | 133.124451 |
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70,
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15,
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15,
44,
44,
44
] | [
1,
1,
1
] | alex<agm002178873> | YbPRu | P-62m | P-Ru-Yb | 9 | # generated using pymatgen
data_YbPRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58458512
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.09986 | null | null | 0.000006 | 4,926.352607 | 128.980042 |
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32,
32,
32,
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46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002215094> | YbGePd | Pnma | Ge-Pd-Yb | 12 | # generated using pymatgen
data_YbGePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45840494
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_cell_angle_alpha 90.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.042465 | null | null | 0 | 4,333.428003 | 75.744881 |
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15,
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44,
44,
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] | [
1,
1,
1
] | alex<agm002233531> | YbPRu | Pmc2_1 | P-Ru-Yb | 12 | # generated using pymatgen
data_YbPRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48848178
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_cell_angle_alpha 90.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | 0.016995 | null | null | -0 | 4,926.352607 | 81.699875 |
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15,
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44
] | [
1,
1,
1
] | alex<agm002233530> | YbPRu | I4_1md | P-Ru-Yb | 6 | # generated using pymatgen
data_YbPRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16931687
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.085193 | null | null | -0.000039 | 4,926.352607 | 96.079285 |
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20,
14,
14,
46,
46
] | [
1,
1,
1
] | mp-567769 | Ca(SiPd)2 | I4/mmm | Ca-Pd-Si | 5 | # generated using pymatgen
data_Ca(SiPd)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22929353
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_cell_angle_alpha 111.42288014
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_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0 | 0 | 108.111916 | null | 5,885.062231 | 108.144257 |
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] | [
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46,
46,
46
] | [
1,
1,
1
] | alex<agm002239985> | CaSi2Pd3 | P6/mmm | Ca-Pd-Si | 6 | # generated using pymatgen
data_CaSi2Pd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79071913
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_cell_angle_alpha 120.00000000
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_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.040305 | null | null | 0.000001 | 6,426.739252 | 104.857002 |
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1,
1,
1
] | alex<agm003425221> | CaSi2Pd3 | C2/m | Ca-Pd-Si | 12 | # generated using pymatgen
data_CaSi2Pd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14947078
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1,
1,
1
] | alex<agm003711607> | CaSiPd3 | Imma | Ca-Pd-Si | 10 | # generated using pymatgen
data_CaSiPd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66594775
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1,
1,
1
] | alex<agm003591814> | Ca(SiPd)4 | P4_2/nmc | Ca-Pd-Si | 18 | # generated using pymatgen
data_Ca(SiPd)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03514329
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_symmetry_Int_Tables_number 1
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1,
1,
1
] | alex<agm002315767> | Ca2Si2Pd | C2/m | Ca-Pd-Si | 10 | # generated using pymatgen
data_Ca2Si2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37822494
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1,
1,
1
] | alex<agm003390647> | Ca2Si2Pd | C2/c | Ca-Pd-Si | 10 | # generated using pymatgen
data_Ca2Si2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54630945
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1,
1,
1
] | alex<agm003017212> | Ca2Si2Pd | P4/mbm | Ca-Pd-Si | 10 | # generated using pymatgen
data_Ca2Si2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65639923
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_chemical_formula_structural ... | 0.061797 | null | null | 0.000064 | 4,233.893725 | 68.685143 |
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70,
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] | [
1,
1,
1
] | mp-1215854 | Yb2Ge3Pd | Pmm2 | Ge-Pd-Yb | 6 | # generated using pymatgen
data_Yb2Ge3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04202100
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1,
1,
1
] | alex<agm003475360> | CaSi2Pd5 | Immm | Ca-Pd-Si | 8 | # generated using pymatgen
data_CaSi2Pd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87908816
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | 0 | 6,959.648221 | 124.351418 |
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] | [
1,
1,
1
] | alex<agm002239983> | CaSi2Pd | Cmcm | Ca-Pd-Si | 8 | # generated using pymatgen
data_CaSi2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97264177
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.033898 | null | null | 0 | 4,774.523978 | 73.231079 |
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] | [
1,
1,
1
] | alex<agm003746652> | CaSiPd4 | Pmma | Ca-Pd-Si | 12 | # generated using pymatgen
data_CaSiPd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.81661750
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_chemical_formula_structural ... | 0.044965 | null | null | 0 | 7,074.391989 | 108.81591 |
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] | [
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1,
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] | alex<agm002316930> | Ca2SiPd3 | R-3m | Ca-Pd-Si | 6 | # generated using pymatgen
data_Ca2SiPd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20528359
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | 0.000018 | 6,321.380159 | 88.613342 |
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] | [
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1,
1
] | alex<agm002187113> | Ca2SiPd2 | C2/c | Ca-Pd-Si | 10 | # generated using pymatgen
data_Ca2SiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68330127
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_chemical_formula_structural ... | 0.005219 | null | null | 0.000152 | 5,765.01449 | 59.943535 |
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46,
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46
] | [
1,
1,
1
] | alex<agm003345835> | Ca2Si5Pd3 | Ibam | Ca-Pd-Si | 20 | # generated using pymatgen
data_Ca2Si5Pd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84577153
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_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0 | null | null | 0 | 5,213.995352 | 89.752357 |
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] | [
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1,
1
] | alex<agm002186950> | Ca3(SiPd)4 | I-43m | Ca-Pd-Si | 11 | # generated using pymatgen
data_Ca3(SiPd)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57236303
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_symmetry_Int_Tables_number 1
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] | [
1,
1,
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] | alex<agm002186951> | Ca3(SiPd)4 | Immm | Ca-Pd-Si | 11 | # generated using pymatgen
data_Ca3(SiPd)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23751726
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1,
1
] | alex<agm003338200> | Ca3(Si2Pd)2 | C2/m | Ca-Pd-Si | 9 | # generated using pymatgen
data_Ca3(Si2Pd)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23782992
_cell_length_b 5.68037646
_cell_length_c 8.35176610
_cell_angle_alpha 103.65894016
_cell_angle_beta 90.00000000
_cell_angle_gamma 111.90221708
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 0.068568 | null | null | 0.000163 | 4,479.886219 | 62.198711 |
[
3.92872462073948,
1.3700826311638985,
2.04875391140539,
3.905246728389596,
1.389682704465498,
6.164443126666487,
0.6464254140027559,
4.110247893491696,
2.04875391140539,
0.6699033063526393,
4.090647820190096,
6.164443126666487,
3.8203848341722884,
4.57623716460815,
-2.08892934007084,
3... | [
5.569874224107842,
0,
-2.0669353038557077,
-0.9947241893656058,
5.480330524655595,
-2.0669353038557077,
0,
0,
8.231378430522195
] | [
20,
20,
20,
20,
14,
14,
14,
14,
14,
14,
46,
46
] | [
1,
1,
1
] | alex<agm002240818> | Ca2Si3Pd | Fmmm | Ca-Pd-Si | 12 | # generated using pymatgen
data_Ca2Si3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94102015
_cell_length_b 5.94102015
_cell_length_c 8.23137843
_cell_angle_alpha 110.35948294
_cell_angle_beta 110.35948294
_cell_angle_gamma 92.05922973
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0 | null | null | -0.00004 | 3,898.536919 | 54.488667 |
[
0.6629330319764792,
4.110625247540325,
2.2497889085987373,
3.4077342949419,
4.064898323436666,
5.520066163455869,
3.9318251522345395,
1.3702084158467758,
2.2497889085987364,
1.1870238892691183,
1.4159353399504337,
7.429218211608153,
1.0413091130996381,
4.565986226720328,
-0.9031235162166... | [
5.566271212363569,
0,
-1.975064370334538,
-0.9715130281525503,
5.4808336633870995,
-1.9750643703345367,
0,
0,
8.449706557866548
] | [
70,
70,
70,
70,
32,
32,
32,
32,
32,
32,
46,
46
] | [
1,
1,
1
] | alex<agm002339475> | Yb2Ge3Pd | Fmmm | Ge-Pd-Yb | 12 | # generated using pymatgen
data_Yb2Ge3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90628940
_cell_length_b 5.90628940
_cell_length_c 8.44970656
_cell_angle_alpha 109.53606871
_cell_angle_beta 109.53606871
_cell_angle_gamma 92.47566205
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.012642 | null | null | -0.000095 | 3,487.747979 | 59.245934 |
[
-3.1887959370681267e-17,
0.5207698969675649,
2.41952942,
-5.247124341090368e-16,
8.569204353032434,
7.258588260000001,
1.9623531399999996,
6.465550426544982,
2.4195294200000004,
1.9623531399999998,
5.242679644882697,
8.584686170480666,
-3.535659339137643e-16,
5.774169893881742,
0.7832740... | [
3.92470628,
0,
2.403189491697758e-16,
-5.566003934797181e-16,
9.08997425,
5.566003934797181e-16,
0,
0,
9.67811768
] | [
55,
55,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | mp-561033 | CsCu5S3 | Pmma | Cs-Cu-S | 18 | # generated using pymatgen
data_CsCu5S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92470628
_cell_length_b 9.08997425
_cell_length_c 9.67811768
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.033427 | 0.3266 | 45.639008 | null | 2,505.754218 | 46.456417 |
[
0,
0,
4.8446935,
1.984691,
0,
1.446654547261,
1.984691,
0,
8.242732452739,
-1.2152727402232797e-16,
1.984691,
8.242732452739,
-1.2152727402232797e-16,
1.984691,
1.446654547261,
1.9846909999999998,
1.984691,
7.063107721811,
1.9846909999999998,
1.984691,
2.626279278189,
0,
... | [
3.969382,
0,
2.4305454804465594e-16,
-2.4305454804465594e-16,
3.969382,
2.4305454804465594e-16,
0,
0,
9.689387
] | [
55,
29,
29,
29,
29,
16,
16,
16
] | [
1,
1,
1
] | mp-7785 | CsCu4S3 | P4/mmm | Cs-Cu-S | 8 | # generated using pymatgen
data_CsCu4S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96938200
_cell_length_b 3.96938200
_cell_length_c 9.68938700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.053656 | 0 | null | -0.000002 | 2,637.998608 | 49.634605 |
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