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,
1,
1
] | alex<agm003343578> | Ba2Bi5Pd3 | Ibam | Ba-Bi-Pd | 20 | # generated using pymatgen
data_Ba2Bi5Pd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.26928544
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_chemical_formula_structural... | 0.042691 | null | null | 0 | 5,769.528855 | 44.094082 |
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1,
1,
1
] | alex<agm003381098> | Ba3(BiPd)4 | Immm | Ba-Bi-Pd | 11 | # generated using pymatgen
data_Ba3(BiPd)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85066189
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_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 0.017799 | null | null | 0.000184 | 5,597.886773 | 48.989319 |
[
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1,
1,
1
] | alex<agm003712948> | BaBi3Pd | Pmn2_1 | Ba-Bi-Pd | 10 | # generated using pymatgen
data_BaBi3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.58170450
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.057512 | null | null | -0.000004 | 5,660.877568 | 40.753227 |
[
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8.04414106670753... | [
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] | [
1,
1,
1
] | alex<agm003400795> | Ba2BiPd2 | C2/c | Ba-Bi-Pd | 10 | # generated using pymatgen
data_Ba2BiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24397610
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.042596 | null | null | -0.000002 | 5,152.101211 | 46.053761 |
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83,
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1,
1,
1
] | alex<agm003008496> | Ba2BiPd2 | P4/mbm | Ba-Bi-Pd | 10 | # generated using pymatgen
data_Ba2BiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66150842
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_chemical_formula_structural ... | 0.09902 | null | null | -0.000003 | 5,152.101211 | 50.012619 |
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5.356292698010240... | [
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] | [
1,
1,
1
] | alex<agm003507063> | Ba2Bi6Pd | P-3m1 | Ba-Bi-Pd | 9 | # generated using pymatgen
data_Ba2Bi6Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.48396546
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_chemical_formula_structural ... | 0.052646 | null | null | 0.000037 | 5,508.623105 | 39.563446 |
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] | [
1,
1,
1
] | alex<agm003367940> | Ba4Bi5Pd2 | P2/m | Ba-Bi-Pd | 11 | # generated using pymatgen
data_Ba4Bi5Pd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08312637
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_chemical_formula_structural... | 0.061072 | null | null | 0.000068 | 5,110.838328 | 33.017521 |
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0.2391999015501688,... | [
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69,
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14,
14,
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14,
76,
76
] | [
1,
1,
1
] | alex<agm002240716> | TmSi2Os | P2_1/m | Os-Si-Tm | 8 | # generated using pymatgen
data_TmSi2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04248957
_cell_length_b 4.41618092
_cell_length_c 8.10766161
_cell_angle_alpha 101.61582823
_cell_angle_beta 90.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | 0 | 5,564.084131 | 133.692184 |
[
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9.34274336037133... | [
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79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003296599> | Tb3Au | P1 | Au-Tb | 16 | # generated using pymatgen
data_Tb3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.22098898
_cell_length_b 8.99365124
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_cell_angle_alpha 74.41179796
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_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | 0.074358 | null | null | 0.000014 | 2,486.071501 | 64.562759 |
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] | [
1,
1,
1
] | alex<agm003619928> | TmSi2Os | Pnma | Os-Si-Tm | 16 | # generated using pymatgen
data_TmSi2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16309139
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.083076 | null | null | 0.000151 | 5,564.084131 | 142.241425 |
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69,
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76,
76
] | [
1,
1,
1
] | alex<agm002242684> | TmSiOs | P4/nmm | Os-Si-Tm | 6 | # generated using pymatgen
data_TmSiOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19200545
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_cell_length_c 6.45637877
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.0538 | null | null | 0.000001 | 5,895.096864 | 159.725113 |
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4.077071353300... | [
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14,
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] | [
1,
1,
1
] | alex<agm002242685> | TmSiOs | P-62m | Os-Si-Tm | 9 | # generated using pymatgen
data_TmSiOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55779517
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_cell_length_c 7.06169473
_cell_angle_alpha 120.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.030745 | null | null | 0.00012 | 5,895.096864 | 141.710251 |
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76,
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] | [
1,
1,
1
] | alex<agm002242686> | TmSiOs | Pnma | Os-Si-Tm | 12 | # generated using pymatgen
data_TmSiOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23470029
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.000393 | null | null | 0.000316 | 5,895.096864 | 150.933304 |
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] | [
1,
1,
1
] | alex<agm003385859> | Tm4Si6Os7 | Im-3m | Os-Si-Tm | 17 | # generated using pymatgen
data_Tm4Si6Os7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.10503219
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_cell_angle_alpha 109.47122063
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_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 0.094717 | null | null | 0.000072 | 6,609.317356 | 186.279465 |
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3.3... | [
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] | [
1,
1,
1
] | alex<agm003330408> | Tm3Si3Os2 | Cmcm | Os-Si-Tm | 16 | # generated using pymatgen
data_Tm3Si3Os2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15904446
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_cell_angle_alpha 90.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0 | null | null | -0.000003 | 5,267.555208 | 120.402313 |
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3.6543621678068092,
6.19514727235725,
1.087452352000942,
1.579397524010592,
3.252925918638935,
3.2931727082455478,
0.6299919457870078,
... | [
4.0257103975371615,
0,
1.4835420389672398,
1.6373568243791692,
5.233759691817401,
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0,
0,
6.20381516
] | [
69,
69,
14,
14,
14,
76,
76
] | [
1,
1,
1
] | alex<agm003307720> | Tm2Si3Os2 | C2/m | Os-Si-Tm | 7 | # generated using pymatgen
data_Tm2Si3Os2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29036609
_cell_length_b 5.75962661
_cell_length_c 6.20381516
_cell_angle_alpha 72.19973693
_cell_angle_beta 69.77030886
_cell_angle_gamma 68.13309691
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.093973 | null | null | 0.000034 | 5,723.7988 | 126.945602 |
[
3.5545162194520508,
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3.39961176780432,
1.899621075293134,
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3.39961176780432,
5.627103385293134,
1.9655986443809172,
1.3763902395317542,
4.492003947158804,
0.5147248166940411,
0,
1.863741155,
5.00538999330595... | [
5.52011481,
0,
3.3800954664962e-16,
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4.776002007336074,
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0,
0,
7.45496462
] | [
69,
69,
69,
69,
14,
14,
76,
76,
76,
76
] | [
1,
1,
1
] | alex<agm003400445> | Tm2SiOs2 | C2/c | Os-Si-Tm | 10 | # generated using pymatgen
data_Tm2SiOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52011481
_cell_length_b 5.61772224
_cell_length_c 7.45496462
_cell_angle_alpha 100.91094676
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.42688787
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.0497 | null | null | 0.000017 | 6,079.285877 | 143.473343 |
[
1.9759478249999998,
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2.2982737982460515,
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2.56375205030733... | [
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4.177014544009662e-16,
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0,
6.82158243
] | [
72,
72,
72,
72,
29,
29,
29,
29,
82,
82
] | [
1,
1,
1
] | alex<agm002335245> | Hf2Cu2Pb | P4/mbm | Cu-Hf-Pb | 10 | # generated using pymatgen
data_Hf2Cu2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95189565
_cell_length_b 6.82158243
_cell_length_c 6.82158243
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.042979 | null | null | 0 | 2,157.972549 | 116.971344 |
[
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6.366262357943412,
1.1969837371769578,
5.124775421224306,
4.355503666279282,
4.3544748001... | [
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7.555602878192704,
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38,
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38,
38,
38,
38,
53,
53,
53,
53,
53,
53,
7,
7
] | [
1,
1,
1
] | alex<agm003543229> | Sr3I3N | C2/m | I-N-Sr | 14 | # generated using pymatgen
data_Sr3I3N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.26104660
_cell_length_b 8.43787778
_cell_length_c 8.43787778
_cell_angle_alpha 113.96045476
_cell_angle_beta 97.39086360
_cell_angle_gamma 97.39086360
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.098157 | null | null | 0 | 3,988.879344 | 12.009311 |
[
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0.8566259356162403,
1.4011816001828872,
2.84843698210376,
3.264864581082804,
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0,
0,
6.510217680046829
] | [
65,
65,
65,
79
] | [
1,
1,
1
] | alex<agm001282724> | Tb3Au | Immm | Au-Tb | 4 | # generated using pymatgen
data_Tb3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74980655
_cell_length_b 5.31363299
_cell_length_c 6.51021768
_cell_angle_alpha 114.08550333
_cell_angle_beta 106.73789450
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.078449 | null | null | 0 | 2,486.071501 | 54.684044 |
[
6.38379337505525,
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5.194288515236287,
3.367392411596944,
5.498578557401296,
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1.9726480880058561,
4.704440504177995,
3.590660358292578,
3.329311212535306,
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... | [
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8.47286432
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6,
6,
6,
6,
7,
7,
7,
7,
7,
7,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | mp-571324 | CNCl | C2/c | C-Cl-N | 18 | # generated using pymatgen
data_CNCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.62672149
_cell_length_b 7.62672149
_cell_length_c 8.47286432
_cell_angle_alpha 66.21358930
_cell_angle_beta 66.21358930
_cell_angle_gamma 60.31070658
_symmetry_Int_Tables_number 1
_chemical_formula_structural CN... | 0.093572 | 3.7938 | null | null | 1,076.749135 | 11.184668 |
[
2.8451582969246383,
3.2866297695042577,
8.305909669506798,
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1.6777210934488176e-16,
1.6417098723809562,
0.4344380204932045,
8.321763522183465e-16,
3.3507714199758443,
... | [
5.690316593849275,
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1.6119355001192414e-15,
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3.4845159984055763e-16,
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] | [
63,
63,
63,
63,
31,
31,
31,
31,
31,
31,
77,
77
] | [
1,
1,
1
] | mp-609413 | Eu2Ga3Ir | P6_3/mmc | Eu-Ga-Ir | 12 | # generated using pymatgen
data_Eu2Ga3Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69064648
_cell_length_b 5.69064648
_cell_length_c 8.74034769
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00383522
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0 | 0 | null | 0.001856 | 4,379.287239 | 78.173058 |
[
3.8707783285619946,
3.44426526675574,
7.292011129936776,
1.1179546137763412,
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0,
0,
2.2398216788975227,
1.32968604137596,
5.749826530821513,
2.7489112634408133,
3.568334427296842,
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] | [
3.874877268904635,
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1.4858536812174554,
1.1138556734337008,
4.898020468672802,
2.890704210029673,
0,
0,
5.79546804
] | [
63,
63,
31,
77,
77
] | [
1,
1,
1
] | alex<agm002337693> | Eu2GaIr2 | Immm | Eu-Ga-Ir | 5 | # generated using pymatgen
data_Eu2GaIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14999217
_cell_length_b 5.79546804
_cell_length_c 5.79546804
_cell_angle_alpha 60.08021798
_cell_angle_beta 69.02026629
_cell_angle_gamma 69.02026629
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | 0.124598 | 6,032.304953 | 94.737457 |
[
0,
0,
0,
2.169257145,
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5.512291435137348,
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2.169257145,
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2.731467694... | [
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4.33851429,
2.6565738191517756e-16,
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8.24375913
] | [
63,
31,
31,
31,
31,
31,
31,
77
] | [
1,
1,
1
] | alex<agm002276605> | EuGa6Ir | P4/mmm | Eu-Ga-Ir | 8 | # generated using pymatgen
data_EuGa6Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33851429
_cell_length_b 4.33851429
_cell_length_c 8.24375913
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.010879 | null | null | 0.043431 | 3,954.13793 | 71.429688 |
[
2.0897913929208687,
4.780981039532655,
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0.6732484327700395,
1.866415245,
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4.129681212238275,
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1.7197270066727215,
7.068810257761726,
0.004594809211162411,
3.734502465629973,
3.3359797677617267,
... | [
4.16410699,
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5.4542294723026945,
3.573741076091728e-16,
0,
0,
7.46566098
] | [
63,
63,
31,
31,
31,
31,
77,
77
] | [
1,
1,
1
] | alex<agm002213822> | EuGa2Ir | Cmcm | Eu-Ga-Ir | 8 | # generated using pymatgen
data_EuGa2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16410699
_cell_length_b 5.83636209
_cell_length_c 7.46566098
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 110.84837158
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.000792 | null | null | 0.080838 | 5,138.692629 | 82.115837 |
[
2.8797407257215224,
1.832642093516553,
4.564197777425322,
1.6734460179344048,
1.0649665736577205,
1.68497569498982,
4.08603543350864,
2.6003176133753856,
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0,
0
] | [
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1.5826741974253224,
1.7134631463094945,
3.665284187033106,
1.5826741974253224,
0,
0,
5.96304716
] | [
63,
31,
31,
77
] | [
1,
1,
1
] | alex<agm001952276> | EuGa2Ir | R-3m | Eu-Ga-Ir | 4 | # generated using pymatgen
data_EuGa2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34455081
_cell_length_b 4.34455081
_cell_length_c 5.96304716
_cell_angle_alpha 68.63613677
_cell_angle_beta 68.63613677
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.047049 | null | null | 0.08028 | 5,138.692629 | 78.735786 |
[
4.168323166076405,
2.6716549307663784,
7.611567156113173,
1.2970996190343869,
2.4434718856543314,
2.8482928538950345,
1.9690502884451684,
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0.5844510155415271,
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0.774119814110875,
5.088087570139309,
2.6906099011120435,
4.341007002309834,
5.371772439868898,
3.5110438... | [
3.9381005768903368,
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1.1689020310830542,
1.527322208220455,
5.11512681642071,
2.0726592389251532,
0,
0,
7.21829874
] | [
63,
63,
31,
31,
31,
77,
77
] | [
1,
1,
1
] | alex<agm002276269> | Eu2Ga3Ir2 | C2/m | Eu-Ga-Ir | 7 | # generated using pymatgen
data_Eu2Ga3Ir2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10791530
_cell_length_b 5.72653052
_cell_length_c 7.21829874
_cell_angle_alpha 68.78062711
_cell_angle_beta 73.46812483
_cell_angle_gamma 68.98121539
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0 | null | null | 0.094684 | 5,390.284347 | 86.74881 |
[
0,
0,
0,
2.099536745,
2.472333421910726,
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2.14110355
] | [
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2.571190954456503e-16,
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-2.141103550000001,
0,
0,
4.2822071
] | [
63,
31,
77
] | [
1,
1,
1
] | alex<agm001267584> | EuGaIr | P-6m2 | Eu-Ga-Ir | 3 | # generated using pymatgen
data_EuGaIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19907349
_cell_length_b 4.28220710
_cell_length_c 4.28220710
_cell_angle_alpha 120.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.044277 | null | null | 0.104144 | 5,684.257219 | 85.166374 |
[
1.875642835658069,
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0.8901093865725769,
1.9801747851064466,
0.8027545518167845,
3.143687515416996,
2.07615938646529,
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1.2637172968798334,
2.0761593853528897,
0.022376727963394134,
0.026014388694242947,
0.05787... | [
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3.759940437074324,
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0,
0,
5.652579461112401
] | [
63,
26,
14,
14,
14
] | [
1,
1,
1
] | alex<agm002242960> | EuFeSi3 | I4mm | Eu-Fe-Si | 5 | # generated using pymatgen
data_EuFeSi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07703149
_cell_length_b 4.07703149
_cell_length_c 5.65257946
_cell_angle_alpha 111.13917421
_cell_angle_beta 111.13917421
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.062441 | null | null | 0.082133 | 2,169.129527 | 97.792747 |
[
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1.7661113961741297,
1.2802631537463338e-15,
3.0589946700000006,
1.7661113961741297,
3.628... | [
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1.7330853290582848e-15,
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5.29833418852239,
3.746188031224314e-16,
0,
0,
11.223536
] | [
56,
56,
56,
56,
56,
13,
13,
13,
13,
13,
82
] | [
1,
1,
1
] | mp-568809 | Ba5Al5Pb | P-6m2 | Al-Ba-Pb | 11 | # generated using pymatgen
data_Ba5Al5Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11798934
_cell_length_b 6.11798934
_cell_length_c 11.22353600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0 | 0 | 28.638933 | 0.000013 | 2,028.814598 | 28.114264 |
[
2.223343283595955e-9,
5.528871867808658,
7.283582437500001,
1.8575609902959196,
0.7358732498584891,
2.4278608125,
-1.789974097431484e-8,
1.68070888989285,
9.182864252410674,
1.8575610104190035,
4.584036227774297,
0.528578997589328,
1.8575610104190035,
4.584036227774297,
4.327142627410673... | [
3.71512198,
0,
2.2748561206244886e-16,
-1.8575609874807377,
6.264745117667148,
4.001127641743547e-16,
0,
0,
9.71144325
] | [
65,
65,
65,
65,
65,
65,
79,
79
] | [
1,
1,
1
] | alex<agm002321452> | Tb3Au | Cmcm | Au-Tb | 8 | # generated using pymatgen
data_Tb3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71512198
_cell_length_b 6.53433732
_cell_length_c 9.71144325
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 106.51562873
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.041608 | null | null | 0.000081 | 2,486.071501 | 66.831284 |
[
-3.2786717859566225e-17,
0.5354477369702614,
1.3361619532369802,
2.385331835,
1.8865859574860413,
4.7078065069972626,
2.385331835,
3.3241720762597815,
1.265832271848712,
-2.426548756521989e-16,
3.9628548544959203,
2.859608110614967
] | [
4.77066367,
0,
2.9211889966370327e-16,
-2.972384774750298e-16,
4.854272720624082,
-1.945280166117207,
0,
0,
7.02934186
] | [
56,
56,
13,
82
] | [
1,
1,
1
] | alex<agm003168365> | Ba2AlPb | Amm2 | Al-Ba-Pb | 4 | # generated using pymatgen
data_Ba2AlPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77066367
_cell_length_b 5.22953904
_cell_length_c 7.02934186
_cell_angle_alpha 111.83773649
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.091142 | null | null | 0.000412 | 2,027.464004 | 32.617683 |
[
2.6618487192209276e-16,
2.775472543295375,
1.6917141826339726,
0,
0,
4.617941113200091,
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0,
0,
5.20001791
] | [
56,
13,
82
] | [
1,
1,
1
] | alex<agm003158708> | BaAlPb | P3m1 | Al-Ba-Pb | 3 | # generated using pymatgen
data_BaAlPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80725946
_cell_length_b 4.80725946
_cell_length_c 5.20001791
_cell_angle_alpha 90.00000000
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_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.095279 | null | null | 0 | 1,926.721903 | 33.512684 |
[
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2.016868201762292,
2.4364367696497795,
1.9735306855255073,
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56,
56,
13,
13,
82,
82
] | [
1,
1,
1
] | alex<agm002367701> | BaAlPb | C2/m | Al-Ba-Pb | 6 | # generated using pymatgen
data_BaAlPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48508040
_cell_length_b 6.60749932
_cell_length_c 7.52722848
_cell_angle_alpha 102.80201918
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_cell_angle_gamma 90.00000000
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_chemical_formula_structural ... | 0.096307 | null | null | -0 | 1,926.721903 | 20.0916 |
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2.825... | [
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13,
13,
13,
13,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm002329194> | BaAlPb | P6_3/mmc | Al-Ba-Pb | 12 | # generated using pymatgen
data_BaAlPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89364553
_cell_length_b 4.89364553
_cell_length_c 19.47433230
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.071247 | null | null | 0.000003 | 1,926.721903 | 35.164364 |
[
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0,
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56,
56,
13,
13,
82,
82
] | [
1,
1,
1
] | alex<agm002133276> | Ba3(AlPb)2 | Immm | Al-Ba-Pb | 7 | # generated using pymatgen
data_Ba3(AlPb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75601049
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_cell_length_c 11.03925578
_cell_angle_alpha 103.89711977
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_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 0.025592 | null | null | 0.000236 | 1,984.950456 | 26.869068 |
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62,
62,
62,
83,
83,
83,
83,
45,
45,
45,
45
] | [
1,
1,
1
] | mp-570890 | SmBiRh | Pnma | Bi-Rh-Sm | 12 | # generated using pymatgen
data_SmBiRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76679700
_cell_length_b 7.37672200
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | 0 | null | 0 | 5,501.925274 | 86.686516 |
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0,
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] | [
62,
83,
45
] | [
1,
1,
1
] | alex<agm002235765> | SmBiRh | F-43m | Bi-Rh-Sm | 3 | # generated using pymatgen
data_SmBiRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78272146
_cell_length_b 4.78272146
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_cell_angle_alpha 60.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.025891 | null | null | -0.000069 | 5,501.925274 | 72.624275 |
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62,
62,
83,
83,
45,
45
] | [
1,
1,
1
] | alex<agm002309010> | SmBiRh | P6_3mc | Bi-Rh-Sm | 6 | # generated using pymatgen
data_SmBiRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71213475
_cell_length_b 4.71213475
_cell_length_c 7.54166200
_cell_angle_alpha 90.00000000
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_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.055686 | null | null | 0.000028 | 5,501.925274 | 80.661964 |
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62,
62,
62,
62,
83,
83,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm003397963> | Sm2BiRh2 | C2/c | Bi-Rh-Sm | 10 | # generated using pymatgen
data_Sm2BiRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57324094
_cell_length_b 5.88982800
_cell_length_c 8.29422935
_cell_angle_alpha 103.45600080
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.23729038
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.092444 | null | null | -0.000071 | 5,356.451903 | 92.799164 |
[
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3.2398931... | [
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] | [
62,
62,
62,
62,
83,
83,
45,
45
] | [
1,
1,
1
] | alex<agm003625910> | Sm2BiRh | P2_1/m | Bi-Rh-Sm | 8 | # generated using pymatgen
data_Sm2BiRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31985747
_cell_length_b 6.37607299
_cell_length_c 8.50558203
_cell_angle_alpha 111.24840112
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.084633 | null | null | 0 | 4,912.388862 | 71.356606 |
[
0,
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] | [
65,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002244248> | TbAu4 | I4/m | Au-Tb | 5 | # generated using pymatgen
data_TbAu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28267849
_cell_length_b 5.26016541
_cell_length_c 5.26016541
_cell_angle_alpha 80.46099822
_cell_angle_beta 65.97809253
_cell_angle_gamma 65.97809253
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | 0 | null | null | 0 | 1,352.499141 | 104.717506 |
[
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62,
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62,
62,
83,
83,
83,
83,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm003303830> | Sm2Bi2Rh3 | I2_13 | Bi-Rh-Sm | 14 | # generated using pymatgen
data_Sm2Bi2Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.55367793
_cell_length_b 7.55367793
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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... | 0.039752 | null | null | -0.000111 | 5,752.13581 | 79.813789 |
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2... | [
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62,
62,
62,
62,
62,
83,
83,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm003478369> | Sm5BiRh2 | I4/mcm | Bi-Rh-Sm | 16 | # generated using pymatgen
data_Sm5BiRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.00378845
_cell_length_b 8.00378845
_cell_length_c 8.88677679
_cell_angle_alpha 116.76422318
_cell_angle_beta 116.76422318
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.058986 | null | null | 0.000158 | 4,483.961051 | 72.174301 |
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6.7... | [
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] | [
62,
83,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm001183744> | SmBiRh4 | F-43m | Bi-Rh-Sm | 6 | # generated using pymatgen
data_SmBiRh4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38503694
_cell_length_b 5.38503694
_cell_length_c 5.38503694
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.05437 | null | null | 0.000141 | 6,502.229421 | 161.387009 |
[
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2.827292... | [
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] | [
62,
62,
83,
83,
83,
83,
45,
45
] | [
1,
1,
1
] | alex<agm002352225> | SmBi2Rh | P4/nmm | Bi-Rh-Sm | 8 | # generated using pymatgen
data_SmBi2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61731919
_cell_length_b 4.61731919
_cell_length_c 9.68908062
_cell_angle_alpha 90.00000000
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_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.018779 | null | null | 0.000018 | 5,656.996456 | 70.431877 |
[
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] | [
20,
20,
20,
13,
7
] | [
1,
1,
1
] | alex<agm002539762> | Ca3AlN | Pm-3m | Al-Ca-N | 5 | # generated using pymatgen
data_Ca3AlN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91025516
_cell_length_b 4.91025516
_cell_length_c 4.91025516
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.073379 | null | null | -0.000012 | 1,329.443695 | 50.296925 |
[
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4.2164644320... | [
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15,
15,
15,
15,
44,
44,
44,
44
] | [
1,
1,
1
] | alex<agm002350549> | PrPRu | P2_13 | P-Pr-Ru | 12 | # generated using pymatgen
data_PrPRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27786313
_cell_length_b 6.27786313
_cell_length_c 6.27786313
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | 0.057492 | null | null | 0 | 5,141.354247 | 107.202522 |
[
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5.4914903838452,
1.9110817... | [
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0,
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0,
0,
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59,
15,
15,
15,
15,
44,
44,
44,
44,
44,
44,
44,
44
] | [
1,
1,
1
] | alex<agm003456367> | Pr(PRu2)2 | P4_2/mnm | P-Pr-Ru | 14 | # generated using pymatgen
data_Pr(PRu2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82216341
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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... | 0.066423 | null | null | 0.000737 | 6,566.883716 | 189.431091 |
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30,
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17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | mp-570262 | Cs3ZnCl5 | I4/mcm | Cl-Cs-Zn | 18 | # generated using pymatgen
data_Cs3ZnCl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.45845846
_cell_length_b 9.45845846
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_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0 | 4.2844 | null | null | 4,338.189231 | 9.545615 |
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55,
55,
30,
30,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm002143048> | CsZnCl3 | P6_3/mmc | Cl-Cs-Zn | 10 | # generated using pymatgen
data_CsZnCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16497929
_cell_length_b 7.41700018
_cell_length_c 7.41700018
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.046556 | null | null | -0.000017 | 3,548.876033 | 12.743014 |
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30,
30,
17,
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17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003716324> | CsZnCl3 | C2/m | Cl-Cs-Zn | 10 | # generated using pymatgen
data_CsZnCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54837246
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | null | null | -0 | 3,548.876033 | 9.655572 |
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20,
20,
20,
20,
83,
83,
8
] | [
1,
1,
1
] | mp-551873 | Ca4Bi2O | I4/mmm | Bi-Ca-O | 7 | # generated using pymatgen
data_Ca4Bi2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77089596
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_chemical_formula_structural... | 0 | 0.8131 | null | null | 4,637.996696 | 40.61454 |
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17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm003448478> | Cs2ZnCl4 | P2_1/m | Cl-Cs-Zn | 14 | # generated using pymatgen
data_Cs2ZnCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.42361233
_cell_length_b 7.45038814
_cell_length_c 10.09979637
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_chemical_formula_structura... | 0.003659 | null | null | -0 | 4,083.996253 | 9.271523 |
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] | [
55,
55,
30,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm001074758> | Cs2ZnCl4 | I4/mmm | Cl-Cs-Zn | 7 | # generated using pymatgen
data_Cs2ZnCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22626137
_cell_length_b 5.22626137
_cell_length_c 9.13289892
_cell_angle_alpha 106.62597590
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_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.089223 | null | null | 0 | 4,083.996253 | 13.493725 |
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0,
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] | [
11,
67,
16,
16
] | [
1,
1,
1
] | mp-5694 | NaHoS2 | R-3m | Ho-Na-S | 4 | # generated using pymatgen
data_NaHoS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96562545
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0 | 2.3055 | null | null | 2,328.540642 | 35.782375 |
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11,
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67,
67,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm002166202> | NaHoS2 | I4_1/amd | Ho-Na-S | 8 | # generated using pymatgen
data_NaHoS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53751663
_cell_length_b 5.53751663
_cell_length_c 7.00056924
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_cell_angle_beta 113.29745713
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.036586 | null | null | -0 | 2,328.540642 | 36.886696 |
[
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1.4441575563568614,
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0,
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] | [
11,
67,
16,
16
] | [
1,
1,
1
] | alex<agm005113901> | NaHoS2 | R3m | Ho-Na-S | 4 | # generated using pymatgen
data_NaHoS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93654801
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.039681 | null | null | 0.000006 | 2,328.540642 | 30.323769 |
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] | [
70,
80,
80,
82
] | [
1,
1,
1
] | alex<agm002245970> | YbHg2Pb | Fm-3m | Hg-Pb-Yb | 4 | # generated using pymatgen
data_YbHg2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29997288
_cell_length_b 5.29997288
_cell_length_c 5.29997288
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.014596 | null | null | 0.000052 | 2,755.294208 | 40.598324 |
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... | [
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55,
62,
62,
25,
25,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | mp-574651 | CsSmMnSe3 | Cmcm | Cs-Mn-Se-Sm | 12 | # generated using pymatgen
data_CsSmMnSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29016800
_cell_length_b 8.37315576
_cell_length_c 11.31891200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 104.84386351
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0 | 0.5312 | null | 0.025447 | 3,151.73223 | 19.631901 |
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1.... | [
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55,
62,
62,
25,
25,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm005025647> | CsSmMnSe3 | P2_1/m | Cs-Mn-Se-Sm | 12 | # generated using pymatgen
data_CsSmMnSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33057914
_cell_length_b 9.78609557
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_cell_angle_alpha 110.49552908
_cell_angle_beta 90.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.040852 | null | null | 0.024313 | 3,151.73223 | 19.207165 |
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5.021736065781146,
1.3743837585070149,
... | [
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62,
62,
25,
25,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm005053181> | CsSmMnSe4 | P2_1/m | Cs-Mn-Se-Sm | 14 | # generated using pymatgen
data_CsSmMnSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69183372
_cell_length_b 6.78072533
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_cell_angle_alpha 90.00000000
_cell_angle_beta 108.89445060
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.080612 | null | null | 0.0139 | 3,000.615711 | 15.847555 |
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0,
4.45534057,
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62,
62,
25,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm004585047> | Cs2Sm2MnSe6 | C2/m | Cs-Mn-Se-Sm | 11 | # generated using pymatgen
data_Cs2Sm2MnSe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.07740385
_cell_length_b 7.07740385
_cell_length_c 8.91068114
_cell_angle_alpha 98.43209887
_cell_angle_beta 98.43209887
_cell_angle_gamma 119.18262872
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 0.086748 | null | null | 0.008042 | 3,219.536799 | 13.661166 |
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4.7448231112... | [
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20,
20,
20,
20,
83,
83,
83,
83,
8,
8
] | [
1,
1,
1
] | alex<agm003446295> | Ca4Bi2O | P2_1/m | Bi-Ca-O | 14 | # generated using pymatgen
data_Ca4Bi2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66042386
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_cell_angle_beta 110.31209795
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.062626 | null | null | 0.000085 | 4,637.996696 | 36.404888 |
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2.966780... | [
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55,
62,
25,
25,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm004563592> | Cs2Sm(MnSe2)2 | C2/m | Cs-Mn-Se-Sm | 9 | # generated using pymatgen
data_Cs2Sm(MnSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30021025
_cell_length_b 8.19866856
_cell_length_c 8.51929073
_cell_angle_alpha 107.74475794
_cell_angle_beta 90.00000000
_cell_angle_gamma 105.20364228
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 0.067565 | null | null | 0.032746 | 3,395.769748 | 22.945021 |
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34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm004723615> | Cs4Sm3MnSe8 | R-3m | Cs-Mn-Se-Sm | 16 | # generated using pymatgen
data_Cs4Sm3MnSe8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.54292227
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_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.076959 | null | null | 0.00756 | 3,526.681431 | 18.571301 |
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7,
7,
7
] | [
1,
1,
1
] | mp-614311 | CsCSN | Pnma | C-Cs-N-S | 16 | # generated using pymatgen
data_CsCSN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53023586
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16,
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] | [
1,
1,
1
] | mp-6080 | BaNd2CoS5 | I4/mcm | Ba-Co-Nd-S | 18 | # generated using pymatgen
data_BaNd2CoS5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.87806174
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8,
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8
] | [
1,
1,
1
] | mp-573324 | CsK2Ho(PO4)2 | P-3m1 | Cs-Ho-K-O-P | 14 | # generated using pymatgen
data_CsK2Ho(PO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69448194
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_chemical_formula_struct... | 0 | 4.8718 | null | null | 3,978.376809 | 35.785423 |
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31,
31,
31,
31,
76,
76
] | [
1,
1,
1
] | mp-570875 | Ga2Os | Fddd | Ga-Os | 6 | # generated using pymatgen
data_Ga2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77099431
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_chemical_formula_structural G... | 0.07387 | 0.6655 | null | 0.000011 | 6,054.551742 | 162.443604 |
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31,
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76,
76
] | [
1,
1,
1
] | alex<agm003285873> | Ga13Os2 | P-1 | Ga-Os | 15 | # generated using pymatgen
data_Ga13Os2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14740531
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_chemical_formula_structural ... | 0.092259 | null | null | 0.000007 | 4,028.680765 | 82.812035 |
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17,
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17,
17,
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17,
17
] | [
1,
1,
1
] | alex<agm003288736> | Ce2Cl5 | C2/c | Ce-Cl | 14 | # generated using pymatgen
data_Ce2Cl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40813020
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_chemical_formula_structural ... | 0 | null | null | 0.015968 | 2,480.052765 | 28.14786 |
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58,
30,
30,
30,
30,
30,
30,
30,
30,
44,
44
] | [
1,
1,
1
] | mp-606377 | Ce2Zn4Ru | P4/nmm | Ce-Ru-Zn | 14 | # generated using pymatgen
data_Ce2Zn4Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19449100
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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 | 0 | null | 0.010252 | 3,381.955336 | 87.136787 |
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58,
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58,
30,
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44
] | [
1,
1,
1
] | alex<agm002384805> | Ce3Zn2Ru | P4/mmm | Ce-Ru-Zn | 6 | # generated using pymatgen
data_Ce3Zn2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.62765315
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_cell_angle_alpha 90.00000000
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_chemical_formula_structural... | 0.064461 | null | null | 0.004393 | 3,618.618108 | 76.388489 |
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] | [
12,
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48,
48,
48,
48
] | [
1,
1,
1
] | mp-1038797 | MgCd2 | Cm | Cd-Mg | 6 | # generated using pymatgen
data_MgCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.29927000
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_cell_angle_alpha 101.45547651
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.052896 | 0 | null | 0.000007 | 1,221.951454 | 42.201584 |
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8
] | [
1,
1,
1
] | alex<agm003571079> | Ca(BiO2)3 | R-3 | Bi-Ca-O | 20 | # generated using pymatgen
data_Ca(BiO2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92877961
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_cell_angle_alpha 91.28982327
_cell_angle_beta 91.28982327
_cell_angle_gamma 91.28982327
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.051222 | null | null | -0 | 5,071.668784 | 64.81398 |
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58,
30,
30,
44,
44,
44,
44
] | [
1,
1,
1
] | alex<agm003458158> | Ce4ZnRu2 | P1 | Ce-Ru-Zn | 14 | # generated using pymatgen
data_Ce4ZnRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.10180085
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_cell_length_c 7.74249907
_cell_angle_alpha 112.44825155
_cell_angle_beta 103.37590964
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_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.089652 | null | null | 0.00079 | 4,201.426185 | 89.307465 |
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58,
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30,
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44,
44
] | [
1,
1,
1
] | alex<agm003604682> | CeZnRu | I4/mmm | Ce-Ru-Zn | 6 | # generated using pymatgen
data_CeZnRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36435913
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_cell_length_c 7.23769702
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.046339 | null | null | -0.000013 | 4,459.292226 | 118.962509 |
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30,
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44
] | [
1,
1,
1
] | alex<agm002325023> | CeZnRu | P-62m | Ce-Ru-Zn | 9 | # generated using pymatgen
data_CeZnRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99294776
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_cell_angle_alpha 120.00000000
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.047625 | null | null | 0.001846 | 4,459.292226 | 111.974648 |
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] | [
58,
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44
] | [
1,
1,
1
] | alex<agm002193819> | Ce2ZnRu | Fm-3m | Ce-Ru-Zn | 4 | # generated using pymatgen
data_Ce2ZnRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98805264
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.097401 | null | null | 0.000137 | 4,032.934716 | 84.494026 |
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1,
1,
1
] | alex<agm003410646> | Ce3ZnRu2 | C2/m | Ce-Ru-Zn | 12 | # generated using pymatgen
data_Ce3ZnRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70750257
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1,
1,
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] | alex<agm002246796> | Ce3ZnRu2 | P4/mmm | Ce-Ru-Zn | 6 | # generated using pymatgen
data_Ce3ZnRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50819062
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1,
1,
1
] | alex<agm002325549> | CeZn3Ru2 | P6/mmm | Ce-Ru-Zn | 6 | # generated using pymatgen
data_CeZn3Ru2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40452368
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1,
1
] | alex<agm003331892> | Ce3Zn3Ru2 | C2/m | Ce-Ru-Zn | 8 | # generated using pymatgen
data_Ce3Zn3Ru2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63098328
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1,
1,
1
] | alex<agm003472991> | Ce5ZnRu2 | Cmcm | Ce-Ru-Zn | 16 | # generated using pymatgen
data_Ce5ZnRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59103370
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] | [
1,
1,
1
] | alex<agm001232976> | CeZnRu2 | P4/mmm | Ce-Ru-Zn | 4 | # generated using pymatgen
data_CeZnRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55308059
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1,
1,
1
] | alex<agm003571080> | Ca3BiO6 | R-3 | Bi-Ca-O | 20 | # generated using pymatgen
data_Ca3BiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80844240
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30,
30,
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44,
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44
] | [
1,
1,
1
] | alex<agm003341408> | Ce3(ZnRu2)2 | C2/m | Ce-Ru-Zn | 9 | # generated using pymatgen
data_Ce3(ZnRu2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53921280
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44,
44
] | [
1,
1,
1
] | alex<agm003301085> | Ce2Zn15Ru2 | R-3m | Ce-Ru-Zn | 19 | # generated using pymatgen
data_Ce2Zn15Ru2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80261324
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] | [
1,
1,
1
] | alex<agm002234164> | Sm2TlPd2 | P4/mbm | Pd-Sm-Tl | 10 | # generated using pymatgen
data_Sm2TlPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77326530
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_symmetry_Int_Tables_number 1
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] | [
1,
1,
1
] | alex<agm002307021> | Sm2TlPd2 | Cmmm | Pd-Sm-Tl | 5 | # generated using pymatgen
data_Sm2TlPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71525415
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] | [
1,
1,
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] | alex<agm003618683> | SmTlPd2 | Fm-3m | Pd-Sm-Tl | 4 | # generated using pymatgen
data_SmTlPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91359911
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] | [
1,
1,
1
] | alex<agm002234752> | SmTlPd2 | P6_3/mmc | Pd-Sm-Tl | 8 | # generated using pymatgen
data_SmTlPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71359972
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] | [
1,
1,
1
] | alex<agm002234621> | SmTl2Pd | Cmcm | Pd-Sm-Tl | 8 | # generated using pymatgen
data_SmTl2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63850541
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.095295 | null | null | -0.000036 | 5,971.721439 | 58.311356 |
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] | [
1,
1,
1
] | alex<agm003316319> | Sm5(TlPd)2 | Cmce | Pd-Sm-Tl | 18 | # generated using pymatgen
data_Sm5(TlPd)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40208432
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_symmetry_Int_Tables_number 1
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62,
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] | [
1,
1,
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] | alex<agm001146774> | Sm2TlPd | P4/mmm | Pd-Sm-Tl | 4 | # generated using pymatgen
data_Sm2TlPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63277316
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_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 0.066055 | null | null | -0 | 5,089.067661 | 45.346268 |
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-4.624039609034124,
7.121832477087083,
-2.238705284373811,
0,
0,
8.7814601
] | [
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
81,
81,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003502707> | Sm6TlPd2 | Immm | Pd-Sm-Tl | 18 | # generated using pymatgen
data_Sm6TlPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.78146010
_cell_length_b 8.78146010
_cell_length_c 8.78146010
_cell_angle_alpha 104.76975896
_cell_angle_beta 109.49909283
_cell_angle_gamma 114.28480505
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 0.053096 | null | null | 0.000001 | 4,417.145078 | 52.239613 |
[
-0.6248284910382845,
4.019013971350843,
0.45505197136682785,
-0.2748717992246311,
1.7680269342046506,
3.6808263332693647,
2.770738603546017,
4.292994362834463,
2.6951160156710845,
1.9152511515697244,
1.4940465427210305,
0.8347838817759978,
3.9522025841379627,
3.4307717378451654,
4.096693... | [
5.585690045378657,
0,
-0.6059784071891103,
-0.8997002902629156,
5.787040905555493,
-2.0786169753638077,
0,
0,
6.21449528
] | [
20,
20,
83,
83,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002175464> | Ca2Bi2O7 | C2/m | Bi-Ca-O | 11 | # generated using pymatgen
data_Ca2Bi2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61846448
_cell_length_b 6.21449528
_cell_length_c 6.21449528
_cell_angle_alpha 109.54084767
_cell_angle_beta 96.19166936
_cell_angle_gamma 96.19166936
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 0.061548 | null | null | -0 | 4,399.182544 | 71.296364 |
[
5.2621027499999995,
6.150406057708351,
3.5509385930434214,
5.2621027499999995,
2.2605436709823774,
8.407002683043421,
5.262102749999999,
8.410949728690726,
-2.24581309608684,
1.7540342499999995,
6.150406057708351,
6.161189586956581,
-1.7167404438383995e-16,
2.803649909563575,
4.85606409,... | [
7.016137,
0,
4.2961448597146566e-16,
-5.1502213315152e-16,
8.410949728690728,
-4.856064089999999,
0,
0,
9.71212818
] | [
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
50,
50,
50,
50,
50,
50,
35,
35
] | [
1,
1,
1
] | mp-569350 | La5Sn3Br | P6_3/mcm | Br-La-Sn | 18 | # generated using pymatgen
data_La5Sn3Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01613700
_cell_length_b 9.71212818
_cell_length_c 9.71212818
_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 | 0.005593 | 2,896.066087 | 40.623718 |
[
3.388381617164443,
7.739256134355943,
6.040367237554448,
2.489483126325217,
1.4269762306684008,
11.00865824243095,
4.16478452976661,
6.579015890574896,
14.133245264655724,
1.7130802137230494,
2.5872164744494484,
2.9157802153296744,
4.193115252618286,
1.1331117708111975,
1.592533667488733... | [
4.339205526196206,
0,
0.7850798785001912,
1.5386592172934535,
9.166232365024344,
3.879820401485207,
0,
0,
12.3841252
] | [
57,
57,
57,
57,
50,
50,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003425037> | La2SnBr3 | C2/m | Br-La-Sn | 12 | # generated using pymatgen
data_La2SnBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40965475
_cell_length_b 10.07175726
_cell_length_c 12.38412520
_cell_angle_alpha 67.34273638
_cell_angle_beta 79.74458265
_cell_angle_gamma 77.35486914
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 0.085666 | null | null | -0.000022 | 4,251.843223 | 13.679152 |
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