mp_id stringlengths 4 38 | elements listlengths 1 10 | atomic_numbers listlengths 1 200 | num_atoms int32 1 200 | num_elements int32 1 10 | fractional_coords listlengths 1 200 | lattice dict | spacegroup_number int32 0 230 | reduced_formula stringlengths 1 24 | tier stringclasses 3
values | is_li_containing bool 2
classes | num_li_atoms int32 0 104 ⌀ | band_gap float32 0 17.9 ⌀ | energy_above_hull float32 0 9.71 ⌀ | formation_energy_per_atom float32 -5.15 8.99 ⌀ | is_metal bool 2
classes | source_tags listlengths 1 5 ⌀ | source stringclasses 4
values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
tar:OQMD_498347 | [
"Ti",
"Ba",
"Pb"
] | [
56,
56,
56,
56,
22,
22,
22,
22,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.778828144073486,
"b": 7.778828144073486,
"c": 7.778828144073486,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaTiPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498363 | [
"Pb",
"U",
"Pu"
] | [
94,
94,
94,
94,
92,
92,
92,
92,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.605279922485352,
"b": 7.605279922485352,
"c": 7.605279922485352,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PuUPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498378 | [
"B",
"V",
"Pb"
] | [
23,
23,
23,
23,
5,
5,
5,
5,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
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0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.953971862792969,
"b": 6.953971862792969,
"c": 6.953971862792969,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | VBPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498393 | [
"Co",
"Zr",
"Pb"
] | [
40,
40,
40,
40,
27,
27,
27,
27,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.969419956207275,
"b": 6.969419956207275,
"c": 6.969419956207275,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ZrCoPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_UCuclkXbvx6QDd1ls5kNy-h5gT3W | [
"La",
"Pb",
"U"
] | [
57,
57,
57,
57,
92,
92,
92,
92,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
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],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.79460334777832,
"b": 7.79460334777832,
"c": 7.79460334777832,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaUPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498427 | [
"B",
"Pd",
"Pb"
] | [
5,
5,
5,
5,
46,
46,
46,
46,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
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[
0,
0,
0
],
[
0,
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0.5
],
[
0.5,
0,
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],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.887442111968994,
"b": 6.887442111968994,
"c": 6.887442111968994,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BPdPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498441 | [
"Ag",
"W",
"Pb"
] | [
47,
47,
47,
47,
82,
82,
82,
82,
82,
82,
82,
82,
74,
74,
74,
74
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
... | {
"a": 7.014679908752441,
"b": 7.014679908752441,
"c": 7.014679908752441,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AgPb2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_UY80C6hguLpzcsw4Gu8RQarZIXdj | [
"Mg",
"Pr",
"Pb"
] | [
59,
59,
59,
59,
12,
12,
12,
12,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.6013078689575195,
"b": 7.6013078689575195,
"c": 7.6013078689575195,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrMgPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498469 | [
"Nb",
"Pd",
"Pb"
] | [
41,
41,
41,
41,
46,
46,
46,
46,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.941889762878418,
"b": 6.941889762878418,
"c": 6.941889762878418,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NbPdPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498482 | [
"Ca",
"In",
"Pb"
] | [
20,
20,
20,
20,
49,
49,
49,
49,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.659912109375,
"b": 7.659912109375,
"c": 7.659912109375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaInPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498498 | [
"Sn",
"Au",
"Pb"
] | [
50,
50,
50,
50,
82,
82,
82,
82,
82,
82,
82,
82,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 7.357071876525879,
"b": 7.357071876525879,
"c": 7.357071876525879,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SnPb2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498516 | [
"Zr",
"Te",
"Pb"
] | [
40,
40,
40,
40,
52,
52,
52,
52,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.553773880004883,
"b": 7.553773880004883,
"c": 7.553773880004883,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ZrTePb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_rgFb-wwB24DmCA6HfqZjr6aoAr60 | [
"Mn",
"Gd",
"Pb"
] | [
64,
64,
64,
64,
25,
25,
25,
25,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
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[
0,
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0.5
],
[
0.5,
0,
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[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.134237289428711,
"b": 7.134237289428711,
"c": 7.134237289428711,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | GdMnPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498543 | [
"Mo",
"Hg",
"Pb"
] | [
80,
80,
80,
80,
42,
42,
42,
42,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
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0.5
],
[
0.5,
0,
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],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.1216301918029785,
"b": 7.1216301918029785,
"c": 7.1216301918029785,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | HgMoPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498557 | [
"Li",
"Hg",
"Pb"
] | [
3,
3,
3,
3,
80,
80,
80,
80,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.447947978973389,
"b": 7.447947978973389,
"c": 7.447947978973389,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiHgPb2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_498571 | [
"Tc",
"Pb",
"Pa"
] | [
91,
91,
91,
91,
43,
43,
43,
43,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
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],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.1604180335998535,
"b": 7.1604180335998535,
"c": 7.1604180335998535,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PaTcPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498587 | [
"Ge",
"Sb",
"Pb"
] | [
32,
32,
32,
32,
51,
51,
51,
51,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
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[
0,
0,
0
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[
0,
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0.5
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[
0.5,
0,
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],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.624849796295166,
"b": 7.624849796295166,
"c": 7.624849796295166,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | GeSbPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498604 | [
"Ba",
"Pm",
"Pb"
] | [
56,
56,
56,
56,
61,
61,
61,
61,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
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0.5
],
[
0.5,
0,
0
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[
0,
0,
0
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[
0,
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0.5
],
[
0.5,
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[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 8.119277954101562,
"b": 8.119277954101562,
"c": 8.119277954101562,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaPmPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498617 | [
"V",
"Pt",
"Pb"
] | [
23,
23,
23,
23,
78,
78,
78,
78,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
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0
],
[
0,
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0.5
],
[
0,
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0
],
[
0.5,
0,
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[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.861537933349609,
"b": 6.861537933349609,
"c": 6.861537933349609,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | VPtPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498632 | [
"Al",
"Pt",
"Pb"
] | [
13,
13,
13,
13,
78,
78,
78,
78,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
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"alpha": 90,
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} | 225 | AlPtPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498648 | [
"Al",
"Ca",
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20,
20,
20,
13,
13,
13,
13,
82,
82,
82,
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82,
82,
82,
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} | 225 | CaAlPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498662 | [
"Hf",
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72,
72,
72,
83,
83,
83,
83,
82,
82,
82,
82,
82,
82,
82,
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} | 225 | HfBiPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498680 | [
"Mn",
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25,
25,
25,
82,
82,
82,
82,
82,
82,
82,
82,
79,
79,
79,
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} | 225 | MnPb2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498691 | [
"B",
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31,
31,
31,
5,
5,
5,
5,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | GaBPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498705 | [
"Ca",
"Rh",
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] | [
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20,
20,
20,
45,
45,
45,
45,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | CaRhPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498725 | [
"Cs",
"Eu",
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55,
55,
55,
63,
63,
63,
63,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | CsEuPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498742 | [
"Fe",
"W",
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] | [
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26,
26,
26,
82,
82,
82,
82,
82,
82,
82,
82,
74,
74,
74,
74
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} | 225 | FePb2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498755 | [
"Si",
"Nb",
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] | [
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41,
41,
41,
14,
14,
14,
14,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | NbSiPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_XzvaoIp9fIcpPfsvQucgltLv16Zc | [
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68,
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68,
48,
48,
48,
48,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | ErCdPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498784 | [
"Ga",
"Mo",
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] | [
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31,
31,
31,
42,
42,
42,
42,
82,
82,
82,
82,
82,
82,
82,
82
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"alpha": 90,
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} | 225 | GaMoPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_cmFjXvCyG5G3A7Efd940dtZvXPJu | [
"Cd",
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63,
63,
63,
48,
48,
48,
48,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | EuCdPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498822 | [
"Sc",
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] | [
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21,
21,
21,
48,
48,
48,
48,
82,
82,
82,
82,
82,
82,
82,
82
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[
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} | 225 | ScCdPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498833 | [
"Y",
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] | [
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39,
39,
39,
92,
92,
92,
92,
82,
82,
82,
82,
82,
82,
82,
82
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[
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} | 225 | YUPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498849 | [
"Sm",
"Gd",
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] | [
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62,
62,
62,
64,
64,
64,
64,
82,
82,
82,
82,
82,
82,
82,
82
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[
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"alpha": 90,
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} | 225 | SmGdPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_wR6PMryLqH6n5bUfdgfFGmmt_tzf | [
"K",
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19,
19,
19,
51,
51,
51,
51,
82,
82,
82,
82,
82,
82,
82,
82
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"alpha": 90,
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} | 225 | KSbPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_3HoIMwhll03MGALnTgZ24g7OyZWU | [
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26,
26,
26,
76,
76,
76,
76,
82,
82,
82,
82,
82,
82,
82,
82
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"alpha": 90,
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} | 225 | FeOsPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498899 | [
"Ti",
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] | [
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89,
89,
89,
22,
22,
22,
22,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | AcTiPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498912 | [
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] | [
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80,
80,
80,
52,
52,
52,
52,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | HgTePb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_498928 | [
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] | [
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65,
65,
65,
63,
63,
63,
63,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | TbEuPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_9gkVBmeRWr5lLY4OKht37sOrbmK6 | [
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71,
71,
71,
43,
43,
43,
43,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
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tar:OQMD_498955 | [
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tar:OQMD_498969 | [
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tar:OQMD_499014 | [
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tar:NOMAD_cLLBv1Acwvk9sZq8iL4n3NrnPo9Q | [
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tar:OQMD_499041 | [
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tar:OQMD_499054 | [
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tar:NOMAD_EOvKbOwluK6arxoDeThOAFd7IlqW | [
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tar:NOMAD_QpTVzCzyfHyz7_2mVHTGvLBfvsKA | [
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tar:OQMD_499104 | [
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tar:OQMD_499121 | [
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tar:OQMD_499136 | [
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tar:OQMD_499154 | [
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tar:NOMAD_Ma1iscEso0VtwBUHYYd-xR66Dxmr | [
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tar:OQMD_499182 | [
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tar:OQMD_499193 | [
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tar:OQMD_499213 | [
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tar:OQMD_499227 | [
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tar:OQMD_499240 | [
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} | 225 | PrFePb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499254 | [
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19,
19,
19,
30,
30,
30,
30,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | KZnPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_8mNlR5uI4HnmMXLPHR5YPE0Z9DEy | [
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44,
78,
78,
78,
78,
82,
82,
82,
82,
82,
82,
82,
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} | 225 | RuPtPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499283 | [
"B",
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24,
24,
24,
5,
5,
5,
5,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | CrBPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_9aN0wk5Q65xyvBawImPby_w0L9iu | [
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92,
92,
92,
42,
42,
42,
42,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | UMoPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_oQDq7QQ8HRVxGZGU78-VyBnovsmC | [
"Rb",
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37,
37,
92,
92,
92,
92,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | RbUPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499334 | [
"Fe",
"Pb",
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] | [
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94,
94,
94,
26,
26,
26,
26,
82,
82,
82,
82,
82,
82,
82,
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} | 225 | PuFePb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_QhEz98WHspRMGETAMAZT9qG_q1fF | [
"K",
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19,
23,
23,
23,
23,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | KVPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499360 | [
"Ni",
"Pb",
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] | [
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93,
93,
93,
28,
28,
28,
28,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | NpNiPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_SM3qluSRmY41qv1u7spiuCaoiB2S | [
"B",
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55,
55,
55,
5,
5,
5,
5,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | CsBPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_pax1kyoiaocwfaRq95kN0IFbtNtE | [
"Ni",
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38,
38,
38,
28,
28,
28,
28,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | SrNiPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499406 | [
"Si",
"Ni",
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] | [
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14,
14,
14,
28,
28,
28,
28,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | SiNiPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499418 | [
"As",
"In",
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] | [
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49,
49,
49,
33,
33,
33,
33,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | InAsPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_mdjGvxmUX6Al90ikmU2J7SdTNVHQ | [
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] | [
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56,
56,
56,
67,
67,
67,
67,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | BaHoPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499451 | [
"Li",
"Ho",
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] | [
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3,
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3,
67,
67,
67,
67,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | LiHoPb2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_499466 | [
"Sc",
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65,
65,
65,
21,
21,
21,
21,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | TbScPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499483 | [
"Na",
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] | [
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11,
11,
11,
48,
48,
48,
48,
82,
82,
82,
82,
82,
82,
82,
82
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} | 225 | NaCdPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499500 | [
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] | [
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62,
62,
62,
80,
80,
80,
80,
82,
82,
82,
82,
82,
82,
82,
82
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"alpha": 90,
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} | 225 | SmHgPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499514 | [
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] | [
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89,
89,
89,
59,
59,
59,
59,
82,
82,
82,
82,
82,
82,
82,
82
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"alpha": 90,
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} | 225 | AcPrPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_dDPabkBOd6X35x3MikQdn9FRKWoR | [
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] | [
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58,
58,
93,
93,
93,
93,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
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"gamma": 90
} | 225 | CeNpPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_oo6x7yYVFlSRhMGtYQWch9SiY5Ui | [
"Zr",
"Pb",
"Ac"
] | [
89,
89,
89,
89,
40,
40,
40,
40,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
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0,
0.5,
0
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[
0,
0,
0.5
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[
0.5,
0.5,
0.5
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[
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0.5,
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[
0.75,
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[
0.25,
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"b": 7.703757286071777,
"c": 7.703757286071777,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcZrPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499555 | [
"Gd",
"Lu",
"Pb"
] | [
64,
64,
64,
64,
71,
71,
71,
71,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
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[
0.75,
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[
0.25,
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... | {
"a": 7.58900785446167,
"b": 7.58900785446167,
"c": 7.58900785446167,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | GdLuPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499568 | [
"Sr",
"Ru",
"Pb"
] | [
38,
38,
38,
38,
44,
44,
44,
44,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
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0,
0,
0
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[
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[
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[
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[
0.25,
0.75,
0.75
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[
0.25,
0.25,
... | {
"a": 7.267248153686523,
"b": 7.267248153686523,
"c": 7.267248153686523,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrRuPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Pqac5OaFFY-CuVA5rMZnk8zeFVIu | [
"Si",
"Sm",
"Pb"
] | [
62,
62,
62,
62,
14,
14,
14,
14,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
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0,
0,
0
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[
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0.5,
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[
0.25,
0.75,
0.75
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[
0.25,
0.25,
... | {
"a": 7.552340984344482,
"b": 7.552340984344482,
"c": 7.552340984344482,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmSiPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ncw2Mum4rOiRKuWwdblnkDZr-axh | [
"Nd",
"Lu",
"Pb"
] | [
60,
60,
60,
60,
71,
71,
71,
71,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
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0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
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[
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[
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[
0.5,
0.5,
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[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.6658148765563965,
"b": 7.6658148765563965,
"c": 7.6658148765563965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdLuPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_mHLHdy7yjftRUXwyrO0r3HZ1U35f | [
"Mg",
"Eu",
"Pb"
] | [
63,
63,
63,
63,
12,
12,
12,
12,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
0
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[
0,
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[
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[
0.5,
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[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.595863342285156,
"b": 7.595863342285156,
"c": 7.595863342285156,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuMgPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499624 | [
"Ni",
"Nb",
"Pb"
] | [
41,
41,
41,
41,
28,
28,
28,
28,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
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0,
0.5,
0
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[
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0,
0.5
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[
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[
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[
0.5,
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[
0.75,
0.75,
0.25
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[
0.25,
0.75,
... | {
"a": 6.870545864105225,
"b": 6.870545864105225,
"c": 6.870545864105225,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NbNiPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499641 | [
"Pm",
"Ho",
"Pb"
] | [
61,
61,
61,
61,
67,
67,
67,
67,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
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0,
0,
0
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[
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0.5,
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[
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0.5,
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[
0.25,
0.75,
0.75
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[
0.25,
0.25,
... | {
"a": 7.669946193695068,
"b": 7.669946193695068,
"c": 7.669946193695068,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PmHoPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499654 | [
"Pb",
"Th",
"Pa"
] | [
90,
90,
90,
90,
91,
91,
91,
91,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0,
0
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[
0,
0.5,
0.5
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[
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0,
0.5
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[
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[
0,
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[
0,
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[
0.5,
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[
0.5,
0.5,
0.5
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[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.735851764678955,
"b": 7.735851764678955,
"c": 7.735851764678955,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ThPaPb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_7ONdwjAleAnj6wg6V3Z2KzRWbUs_ | [
"Be",
"Sc",
"Nb"
] | [
21,
21,
21,
21,
4,
4,
4,
4,
4,
4,
4,
4,
41,
41,
41,
41
] | 16 | 3 | [
[
0,
0.5,
0
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[
0,
0,
0.5
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[
0.5,
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0.5
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[
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[
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[
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[
0.25,
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0.75
],
[
0.25,
0.75,
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],
... | {
"a": 6.113147735595703,
"b": 6.113147735595703,
"c": 6.113147735595703,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ScBe2Nb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499684 | [
"Be",
"Zn",
"Pb"
] | [
4,
4,
4,
4,
4,
4,
4,
4,
30,
30,
30,
30,
82,
82,
82,
82
] | 16 | 3 | [
[
0.25,
0.75,
0.75
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[
0.25,
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[
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[
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[
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[
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[
0.75,
0.25,
0.75
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[
0.75,
0.75,
0.75
],
[
0,
... | {
"a": 6.3542399406433105,
"b": 6.3542399406433105,
"c": 6.3542399406433105,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Be2ZnPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499701 | [
"Be",
"Rb",
"Sn"
] | [
37,
37,
37,
37,
4,
4,
4,
4,
4,
4,
4,
4,
50,
50,
50,
50
] | 16 | 3 | [
[
0,
0.5,
0
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[
0,
0,
0.5
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[
0.5,
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0.5
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[
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0,
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[
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[
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[
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[
0.25,
0.25,
0.75
],
[
0.25,
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0.75
],
... | {
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"b": 6.9236860275268555,
"c": 6.9236860275268555,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbBe2Sn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499717 | [
"Be",
"Gd",
"Pu"
] | [
64,
64,
64,
64,
94,
94,
94,
94,
4,
4,
4,
4,
4,
4,
4,
4
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
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[
0.5,
0.5,
0.5
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[
0.5,
0,
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[
0,
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0
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[
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[
0.5,
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[
0.5,
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[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
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"b": 6.7989678382873535,
"c": 6.7989678382873535,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | GdPuBe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499731 | [
"Be",
"K",
"Ga"
] | [
19,
19,
19,
19,
4,
4,
4,
4,
4,
4,
4,
4,
31,
31,
31,
31
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
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[
0.25,
0.25,
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],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 6.488900184631348,
"b": 6.488900184631348,
"c": 6.488900184631348,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KBe2Ga | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499748 | [
"Be",
"Mg",
"Si"
] | [
12,
12,
12,
12,
4,
4,
4,
4,
4,
4,
4,
4,
14,
14,
14,
14
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
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[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
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[
0.75,
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0.25
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[
0.25,
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[
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0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
... | {
"a": 5.843929767608643,
"b": 5.843929767608643,
"c": 5.843929767608643,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MgBe2Si | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499764 | [
"Be",
"Ce",
"Tm"
] | [
58,
58,
58,
58,
69,
69,
69,
69,
4,
4,
4,
4,
4,
4,
4,
4
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
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[
0.5,
0.5,
0.5
],
[
0.5,
0,
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[
0,
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0
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[
0,
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[
0.5,
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[
0.5,
0.5,
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[
0.75,
0.75,
0.25
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[
0.25,
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... | {
"a": 6.957953929901123,
"b": 6.957953929901123,
"c": 6.957953929901123,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CeTmBe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_MLc7gsZiiD74yGU6IbzFjULUtdZD | [
"Be",
"Mg",
"Ta"
] | [
12,
12,
12,
12,
73,
73,
73,
73,
4,
4,
4,
4,
4,
4,
4,
4
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
],
[
0.5,
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0
],
[
0,
0,
0.5
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[
0,
0.5,
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],
[
0.5,
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[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 5.969187259674072,
"b": 5.969187259674072,
"c": 5.969187259674072,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MgTaBe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_yAKFAxzfH0s7vkHnyXDnOQkuiq8b | [
"Be",
"Tc",
"Ba"
] | [
56,
56,
56,
56,
4,
4,
4,
4,
4,
4,
4,
4,
43,
43,
43,
43
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
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[
0.25,
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[
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0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 6.635847568511963,
"b": 6.635847568511963,
"c": 6.635847568511963,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaBe2Tc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499805 | [
"Be",
"Mn",
"Ga"
] | [
25,
25,
25,
25,
4,
4,
4,
4,
4,
4,
4,
4,
31,
31,
31,
31
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
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0
],
[
0.25,
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[
0.25,
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[
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0.25,
0.25
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[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 5.541738033294678,
"b": 5.541738033294678,
"c": 5.541738033294678,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MnBe2Ga | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499819 | [
"Be",
"Y",
"Nd"
] | [
60,
60,
60,
60,
39,
39,
39,
39,
4,
4,
4,
4,
4,
4,
4,
4
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
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[
0.5,
0,
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[
0,
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0
],
[
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[
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[
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],
[
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],
[
0.25,
0.75,
... | {
"a": 6.946792125701904,
"b": 6.946792125701904,
"c": 6.946792125701904,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdYBe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_499839 | [
"Be",
"Pd",
"Eu"
] | [
63,
63,
63,
63,
4,
4,
4,
4,
4,
4,
4,
4,
46,
46,
46,
46
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
... | {
"a": 6.280210018157959,
"b": 6.280210018157959,
"c": 6.280210018157959,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuBe2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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