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_536872 | [
"Ge",
"Cd",
"Nd"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
48,
48,
48,
48,
32,
32,
32,
32
] | 16 | 3 | [
[
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
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
... | {
"a": 7.4796061515808105,
"b": 7.4796061515808105,
"c": 7.4796061515808105,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Nd2CdGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_536883 | [
"Nd",
"Re",
"Os"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
75,
75,
75,
75,
76,
76,
76,
76
] | 16 | 3 | [
[
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,
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0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
... | {
"a": 7.048707962036133,
"b": 7.048707962036133,
"c": 7.048707962036133,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Nd2ReOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_536899 | [
"Li",
"Nd",
"Hg"
] | [
3,
3,
3,
3,
60,
60,
60,
60,
60,
60,
60,
60,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
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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": 7.601667881011963,
"b": 7.601667881011963,
"c": 7.601667881011963,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiNd2Hg | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:NOMAD_y8M121cl0KaZpLkuD9qhRGT1MjnW | [
"Ti",
"Nd",
"Hg"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
22,
22,
22,
22,
80,
80,
80,
80
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
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[
0.25,
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0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
... | {
"a": 7.505589962005615,
"b": 7.505589962005615,
"c": 7.505589962005615,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Nd2TiHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_TdklgcQ3CZfKMRX8Y2WBpVA2nCnP | [
"Pr",
"Nd",
"Lu"
] | [
59,
59,
59,
59,
60,
60,
60,
60,
60,
60,
60,
60,
71,
71,
71,
71
] | 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": 8.15137004852295,
"b": 8.15137004852295,
"c": 8.15137004852295,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrNd2Lu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_NUpoA3qywj9Ua5IsLArO02zAAaYn | [
"Fe",
"Nd",
"Ac"
] | [
89,
89,
89,
89,
60,
60,
60,
60,
60,
60,
60,
60,
26,
26,
26,
26
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
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0.5,
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0
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],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
... | {
"a": 7.60415506362915,
"b": 7.60415506362915,
"c": 7.60415506362915,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcNd2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_AdQ8Hq7T2FVdNfuFSCqImp4x9_VH | [
"Mn",
"Zr",
"Nd"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
40,
40,
40,
40,
25,
25,
25,
25
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
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0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
... | {
"a": 7.4757771492004395,
"b": 7.4757771492004395,
"c": 7.4757771492004395,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Nd2ZrMn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_536977 | [
"As",
"Te",
"Nd"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
52,
52,
52,
52,
33,
33,
33,
33
] | 16 | 3 | [
[
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
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
... | {
"a": 7.5868401527404785,
"b": 7.5868401527404785,
"c": 7.5868401527404785,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Nd2TeAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_536993 | [
"K",
"Nd",
"Yb"
] | [
19,
19,
19,
19,
70,
70,
70,
70,
60,
60,
60,
60,
60,
60,
60,
60
] | 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": 8.61740779876709,
"b": 8.61740779876709,
"c": 8.61740779876709,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KYbNd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_-InwikhT4it3sSVvBaVSQszXO44z | [
"Cu",
"Sn",
"Nd"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
29,
29,
29,
29,
50,
50,
50,
50
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
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[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
... | {
"a": 7.483619689941406,
"b": 7.483619689941406,
"c": 7.483619689941406,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Nd2CuSn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_537034 | [
"Sc",
"Rb",
"Nd"
] | [
37,
37,
37,
37,
60,
60,
60,
60,
60,
60,
60,
60,
21,
21,
21,
21
] | 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
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[
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": 8.32447624206543,
"b": 8.32447624206543,
"c": 8.32447624206543,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbNd2Sc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_537047 | [
"Nd",
"Pm",
"Tb"
] | [
65,
65,
65,
65,
61,
61,
61,
61,
60,
60,
60,
60,
60,
60,
60,
60
] | 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": 8.18543815612793,
"b": 8.18543815612793,
"c": 8.18543815612793,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbPmNd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_537060 | [
"Cu",
"La",
"Nd"
] | [
57,
57,
57,
57,
60,
60,
60,
60,
60,
60,
60,
60,
29,
29,
29,
29
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
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[
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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": 7.4918599128723145,
"b": 7.4918599128723145,
"c": 7.4918599128723145,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaNd2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_537071 | [
"Sc",
"Cu",
"Nd"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
21,
21,
21,
21,
29,
29,
29,
29
] | 16 | 3 | [
[
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0.75,
0.75
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[
0.25,
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[
0.25,
0.25,
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[
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[
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],
[
0.75,
0.25,
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],
[
0.75,
0.75,
0.75
],
[
0,
... | {
"a": 7.427822113037109,
"b": 7.427822113037109,
"c": 7.427822113037109,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Nd2ScCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_4-jfsjfxt_XIHIAvAnniJeSwas9p | [
"Ni",
"Tc",
"Nd"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
43,
43,
43,
43,
28,
28,
28,
28
] | 16 | 3 | [
[
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0.75,
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[
0.25,
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[
0.25,
0.25,
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[
0.25,
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[
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[
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[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
... | {
"a": 7.00283145904541,
"b": 7.00283145904541,
"c": 7.00283145904541,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Nd2TcNi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_zuh7p0URKiu1HqOPlBL5CIMKrnCq | [
"Ca",
"Nd",
"Ac"
] | [
20,
20,
20,
20,
89,
89,
89,
89,
60,
60,
60,
60,
60,
60,
60,
60
] | 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
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[
0.5,
0,
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[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 8.50491714477539,
"b": 8.50491714477539,
"c": 8.50491714477539,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaAcNd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_537115 | [
"Sr",
"Nd",
"Th"
] | [
38,
38,
38,
38,
60,
60,
60,
60,
60,
60,
60,
60,
90,
90,
90,
90
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
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0.5
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[
0.5,
0.5,
0.5
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[
0.25,
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],
[
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],
... | {
"a": 8.406641960144043,
"b": 8.406641960144043,
"c": 8.406641960144043,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrNd2Th | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_537132 | [
"V",
"Zn",
"Nd"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
23,
23,
23,
23,
30,
30,
30,
30
] | 16 | 3 | [
[
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[
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[
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[
0.25,
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[
0.75,
0.25,
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],
[
0,
... | {
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"b": 7.3418498039245605,
"c": 7.3418498039245605,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Nd2VZn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_537146 | [
"Na",
"Nd",
"Tl"
] | [
11,
11,
11,
11,
60,
60,
60,
60,
60,
60,
60,
60,
81,
81,
81,
81
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
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0.75,
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],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
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],
... | {
"a": 7.818935871124268,
"b": 7.818935871124268,
"c": 7.818935871124268,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaNd2Tl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_BVwYkYbH8judlbbsT87PsaYltfL8 | [
"Ni",
"Nd",
"Sm"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
62,
62,
62,
62,
28,
28,
28,
28
] | 16 | 3 | [
[
0.25,
0.75,
0.75
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[
0.25,
0.25,
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],
[
0.25,
0.25,
0.25
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tar:OQMD_537267 | [
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tar:OQMD_537283 | [
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tar:OQMD_537298 | [
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tar:OQMD_537329 | [
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tar:OQMD_537431 | [
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tar:OQMD_537468 | [
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tar:NOMAD_dVGcBFrdKlBz-DDnT4K2Rs_KMZyf | [
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tar:OQMD_537806 | [
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tar:OQMD_537820 | [
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tar:OQMD_537835 | [
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48,
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tar:OQMD_537850 | [
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60,
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tar:NOMAD_qPgD-JabKpYEXZPjz-vM9hTW0NvY | [
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tar:OQMD_537877 | [
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tar:NOMAD_SyjAb2_YGJX-hobjJfr9HhiH1LBq | [
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} | 225 | Nd2EuSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_MwmTBzAJtRZwt1ujwRtFYPpGcWm1 | [
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64,
64,
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71,
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} | 225 | Nd2GdLu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_537920 | [
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60,
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60,
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21,
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} | 225 | Nd2ScHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_537935 | [
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60,
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60,
52,
52,
52,
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78,
78,
78,
78
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} | 225 | Nd2TePt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_537950 | [
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60,
60,
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60,
72,
72,
72,
72,
73,
73,
73,
73
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} | 225 | Nd2HfTa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ZVGjN1uUd5nhwda5MOKAafxpUAld | [
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60,
60,
60,
90,
90,
90,
90,
44,
44,
44,
44
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} | 225 | Nd2ThRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_537983 | [
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60,
60,
60,
60,
60,
60,
60,
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} | 225 | SrNd2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_537998 | [
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60,
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60,
60,
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} | 225 | AcNd2Nb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538013 | [
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} | 225 | NdTlW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538027 | [
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82,
74,
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} | 225 | ZnPbW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538040 | [
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80,
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80,
74,
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} | 225 | SrHgW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_45H2jcz-hSHGCAdDD7m183kQZLsI | [
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33,
33,
74,
74,
74,
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} | 225 | ThAsW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538070 | [
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74,
74
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | InPdW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538081 | [
"Sn",
"W",
"Re"
] | [
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75,
75,
75,
50,
50,
50,
50,
74,
74,
74,
74,
74,
74,
74,
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"alpha": 90,
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} | 225 | ReSnW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538105 | [
"Ti",
"Te",
"W"
] | [
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22,
22,
22,
52,
52,
52,
52,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | TiTeW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538118 | [
"Si",
"Ta",
"W"
] | [
73,
73,
73,
73,
14,
14,
14,
14,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | TaSiW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538133 | [
"Tc",
"Ba",
"W"
] | [
56,
56,
56,
56,
43,
43,
43,
43,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
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"alpha": 90,
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"gamma": 90
} | 225 | BaTcW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538144 | [
"Ti",
"W",
"Au"
] | [
22,
22,
22,
22,
74,
74,
74,
74,
74,
74,
74,
74,
79,
79,
79,
79
] | 16 | 3 | [
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0
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[
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"alpha": 90,
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} | 225 | TiW2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_rkutQTWMVDqNYcY0r6rdebiaDp6s | [
"Y",
"Nd",
"W"
] | [
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60,
60,
60,
39,
39,
39,
39,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | NdYW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Iqt_weTDrWjMhYhrg0oaqJZ5Uru6 | [
"Al",
"Fe",
"W"
] | [
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13,
13,
13,
26,
26,
26,
26,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
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... | {
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"alpha": 90,
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} | 225 | AlFeW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538191 | [
"Ca",
"Sb",
"W"
] | [
20,
20,
20,
20,
51,
51,
51,
51,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
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[
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... | {
"a": 6.722365856170654,
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"alpha": 90,
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} | 225 | CaSbW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_rr1VTRkGA3q54wKfvnp4oUpgkAXY | [
"Sr",
"Sb",
"W"
] | [
38,
38,
38,
38,
51,
51,
51,
51,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
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... | {
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"alpha": 90,
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"gamma": 90
} | 225 | SrSbW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538220 | [
"Be",
"Si",
"W"
] | [
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4,
4,
4,
14,
14,
14,
14,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
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[
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... | {
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"c": 5.967765808105469,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BeSiW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538235 | [
"Li",
"Pr",
"W"
] | [
3,
3,
3,
3,
59,
59,
59,
59,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
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[
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... | {
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"c": 6.665284156799316,
"alpha": 90,
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} | 225 | LiPrW2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:NOMAD_yahI5Er2YG7f8OUlnjyMBnUqTNn8 | [
"Rh",
"Dy",
"W"
] | [
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66,
66,
66,
45,
45,
45,
45,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
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[
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... | {
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"alpha": 90,
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"gamma": 90
} | 225 | DyRhW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538266 | [
"Rh",
"Ag",
"W"
] | [
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47,
47,
47,
45,
45,
45,
45,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
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[
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[
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... | {
"a": 6.332685947418213,
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"c": 6.332685947418213,
"alpha": 90,
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"gamma": 90
} | 225 | AgRhW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538277 | [
"Be",
"Zn",
"W"
] | [
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4,
4,
4,
30,
30,
30,
30,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
[
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[
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[
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[
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[
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... | {
"a": 5.998258113861084,
"b": 5.998258113861084,
"c": 5.998258113861084,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BeZnW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_tnxWSWK1LW5R5kKyIT2ZujDEA_JG | [
"Gd",
"W",
"Pb"
] | [
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64,
64,
64,
82,
82,
82,
82,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
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... | {
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"alpha": 90,
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"gamma": 90
} | 225 | GdPbW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538308 | [
"Ag",
"W",
"Tl"
] | [
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81,
81,
81,
47,
47,
47,
47,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
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[
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[
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[
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[
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... | {
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"c": 6.540297985076904,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TlAgW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538323 | [
"B",
"Tm",
"W"
] | [
69,
69,
69,
69,
5,
5,
5,
5,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
[
0,
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[
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[
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[
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[
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[
0.25,
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... | {
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"c": 6.234079837799072,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TmBW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538340 | [
"Al",
"W",
"Bi"
] | [
13,
13,
13,
13,
83,
83,
83,
83,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
[
0,
0.5,
0
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[
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[
0.5,
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[
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[
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[
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[
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[
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[
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... | {
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"c": 6.583459854125977,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AlBiW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_538356 | [
"Co",
"Ag",
"W"
] | [
27,
27,
27,
27,
47,
47,
47,
47,
74,
74,
74,
74,
74,
74,
74,
74
] | 16 | 3 | [
[
0,
0,
0
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[
0,
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[
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[
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[
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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,
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... | {
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"c": 6.238190174102783,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CoAgW2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_2celg4BZLiyEv1rj-2f5VEFHAeUS | [
"Ho",
"W",
"Au"
] | [
67,
67,
67,
67,
74,
74,
74,
74,
74,
74,
74,
74,
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": 6.608245849609375,
"b": 6.608245849609375,
"c": 6.608245849609375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | HoW2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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