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_479615 | [
"Ba",
"Ta",
"Th"
] | [
56,
56,
56,
56,
90,
90,
90,
90,
90,
90,
90,
90,
73,
73,
73,
73
] | 16 | 3 | [
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] | {
"a": 7.808047771453857,
"b": 7.808047771453857,
"c": 7.808047771453857,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaTh2Ta | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_479634 | [
"Sc",
"Ga",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
21,
21,
21,
21,
31,
31,
31,
31
] | 16 | 3 | [
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[
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],
[
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[
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0,
0
],
[
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]
] | {
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"b": 7.528860092163086,
"c": 7.528860092163086,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Th2ScGa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_479649 | [
"Rh",
"Sb",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
51,
51,
51,
51,
45,
45,
45,
45
] | 16 | 3 | [
[
0.25,
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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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]
] | {
"a": 7.462071895599365,
"b": 7.462071895599365,
"c": 7.462071895599365,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Th2SbRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_479662 | [
"Mn",
"Mo",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
25,
25,
25,
25,
42,
42,
42,
42
] | 16 | 3 | [
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0.75,
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0.25
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[
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],
[
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0
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0,
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],
[
0.5,
0,
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],
[
0.5,
0.5,
0
]
] | {
"a": 7.19392204284668,
"b": 7.19392204284668,
"c": 7.19392204284668,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Th2MnMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_2uEHStFuOynsj-IhIvnwcCFUrPsQ | [
"Ho",
"Ta",
"Th"
] | [
67,
67,
67,
67,
90,
90,
90,
90,
90,
90,
90,
90,
73,
73,
73,
73
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
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[
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],
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]
] | {
"a": 7.597991943359375,
"b": 7.597991943359375,
"c": 7.597991943359375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | HoTh2Ta | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_479694 | [
"Mn",
"Eu",
"Th"
] | [
63,
63,
63,
63,
90,
90,
90,
90,
90,
90,
90,
90,
25,
25,
25,
25
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
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[
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],
[
0.5,
0,
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],
[
0.5,
0.5,
0
]
] | {
"a": 7.483697891235352,
"b": 7.483697891235352,
"c": 7.483697891235352,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuTh2Mn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_479709 | [
"Li",
"Yb",
"Th"
] | [
3,
3,
3,
3,
70,
70,
70,
70,
90,
90,
90,
90,
90,
90,
90,
90
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
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0.5
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0
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0
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0.25
],
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[
0.25,
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],
[
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0.25
]
] | {
"a": 7.737961769104004,
"b": 7.737961769104004,
"c": 7.737961769104004,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiYbTh2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:NOMAD_mivb7UMXkqON5a93UHb6OoSb8UNw | [
"Mo",
"Te",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
52,
52,
52,
52,
42,
42,
42,
42
] | 16 | 3 | [
[
0.25,
0.75,
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],
[
0.25,
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],
[
0.25,
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[
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[
0.75,
0.75,
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[
0,
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0
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0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.516329765319824,
"b": 7.516329765319824,
"c": 7.516329765319824,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Th2TeMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_479739 | [
"Si",
"V",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
23,
23,
23,
23,
14,
14,
14,
14
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
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],
[
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0.25
],
[
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0.75,
0.25
],
[
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0.25
],
[
0.75,
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[
0.75,
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0.75
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[
0,
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0
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[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.26088809967041,
"b": 7.26088809967041,
"c": 7.26088809967041,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Th2VSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_479757 | [
"La",
"Au",
"Th"
] | [
57,
57,
57,
57,
90,
90,
90,
90,
90,
90,
90,
90,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
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[
0.5,
0,
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],
[
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0.5
]
] | {
"a": 7.618668079376221,
"b": 7.618668079376221,
"c": 7.618668079376221,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaTh2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_9IKGQQlEttH3JyauqnZ4ChB7IvHb | [
"Cr",
"W",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
24,
24,
24,
24,
74,
74,
74,
74
] | 16 | 3 | [
[
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[
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0,
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0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.268129348754883,
"b": 7.268129348754883,
"c": 7.268129348754883,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Th2CrW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_NZz2lHCYK_35PdxK_IoODklcA5oJ | [
"Co",
"Ac",
"Th"
] | [
89,
89,
89,
89,
90,
90,
90,
90,
90,
90,
90,
90,
27,
27,
27,
27
] | 16 | 3 | [
[
0,
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0
],
[
0,
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[
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0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.544721603393555,
"b": 7.544721603393555,
"c": 7.544721603393555,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcTh2Co | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_479802 | [
"Rb",
"Cs",
"Th"
] | [
55,
55,
55,
55,
37,
37,
37,
37,
90,
90,
90,
90,
90,
90,
90,
90
] | 16 | 3 | [
[
0,
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0
],
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[
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],
[
0.25,
0.25,
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],
[
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]
] | {
"a": 8.835526466369629,
"b": 8.835526466369629,
"c": 8.835526466369629,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsRbTh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_479817 | [
"Cr",
"Cs",
"Th"
] | [
55,
55,
55,
55,
90,
90,
90,
90,
90,
90,
90,
90,
24,
24,
24,
24
] | 16 | 3 | [
[
0,
0,
0
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[
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0,
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[
0.5,
0,
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],
[
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0.5
]
] | {
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"b": 7.861264228820801,
"c": 7.861264228820801,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsTh2Cr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_qSdF5GF3j1k1UImahFgU3VuprJbd | [
"Cu",
"Th",
"U"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
92,
92,
92,
92,
29,
29,
29,
29
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
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"alpha": 90,
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} | 225 | Th2UCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_nEgjA-lnE4Xgf_XnpbAsz9s8SaFD | [
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90,
90,
90,
90,
90,
90,
90,
4,
4,
4,
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41,
41,
41,
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} | 225 | Th2BeNb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_PFFp5lv_A7RXae-2tdNDw2SmqnCX | [
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90,
90,
90,
90,
90,
90,
90,
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47,
47,
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} | 225 | CaTh2Ag | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_3Q3VGStEyYiL19fftTQ3RfGM42iw | [
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90,
90,
90,
90,
90,
90,
23,
23,
23,
23,
80,
80,
80,
80
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"alpha": 90,
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} | 225 | Th2VHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_479893 | [
"Pm",
"Er",
"Th"
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61,
61,
61,
68,
68,
68,
68,
90,
90,
90,
90,
90,
90,
90,
90
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} | 225 | PmErTh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_479910 | [
"Ir",
"Pb",
"Th"
] | [
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90,
90,
90,
90,
90,
90,
90,
77,
77,
77,
77,
82,
82,
82,
82
] | 16 | 3 | [
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} | 225 | Th2IrPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_479922 | [
"Ir",
"Th",
"Pa"
] | [
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90,
90,
90,
90,
90,
90,
91,
91,
91,
91,
77,
77,
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"alpha": 90,
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} | 225 | Th2PaIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_479937 | [
"Cu",
"Ta",
"Th"
] | [
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90,
90,
90,
90,
90,
90,
90,
73,
73,
73,
73,
29,
29,
29,
29
] | 16 | 3 | [
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} | 225 | Th2TaCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ESbSXk_tgsvpOyHuBaQNE2kY-HwG | [
"Rh",
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90,
90,
90,
90,
90,
90,
90,
93,
93,
93,
93,
45,
45,
45,
45
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Th2NpRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_479971 | [
"Si",
"Th",
"Pu"
] | [
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94,
94,
94,
90,
90,
90,
90,
90,
90,
90,
90,
14,
14,
14,
14
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | PuTh2Si | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_479988 | [
"Mo",
"Th",
"Pu"
] | [
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94,
94,
94,
90,
90,
90,
90,
90,
90,
90,
90,
42,
42,
42,
42
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"alpha": 90,
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} | 225 | PuTh2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Mc2h6bZEtz3tOcZOjtp7J8iO_IwU | [
"Al",
"Cu",
"Th"
] | [
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90,
90,
90,
90,
90,
90,
90,
13,
13,
13,
13,
29,
29,
29,
29
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Th2AlCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480015 | [
"Ge",
"Ru",
"Th"
] | [
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90,
90,
90,
90,
90,
90,
90,
32,
32,
32,
32,
44,
44,
44,
44
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Th2GeRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_4qlKS0cz1OjpUJvaijmnjzOqW8FC | [
"Ca",
"Ru",
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] | [
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20,
20,
20,
90,
90,
90,
90,
90,
90,
90,
90,
44,
44,
44,
44
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"alpha": 90,
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} | 225 | CaTh2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Z6ibJTeXzoGiAcJBZrGkNR4U9666 | [
"Ga",
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90,
90,
90,
90,
90,
90,
90,
73,
73,
73,
73,
31,
31,
31,
31
] | 16 | 3 | [
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tar:NOMAD_9mcBMlheHCX13vblIEMJKFpTPQH6 | [
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tar:OQMD_911176 | [
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tar:OQMD_480092 | [
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tar:OQMD_480108 | [
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tar:OQMD_480121 | [
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tar:OQMD_480139 | [
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tar:NOMAD_6ocqADWfjwPrh--SQgaJyHu6xFXd | [
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tar:OQMD_480165 | [
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90,
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} | 225 | KTh2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480185 | [
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90,
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90,
90,
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51,
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} | 225 | Th2SbPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_4NZJLiU_X_V7YMe-Y_wkuJb3g4GJ | [
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90,
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90,
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90,
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} | 225 | EuTh2Sc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Ko2wcMgucmbD9kXGktCR_tKwfKC9 | [
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90,
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47,
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33,
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} | 225 | Th2AgAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_UkqZjNE1-LCTP6dujMOGxcixkzMd | [
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90,
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90,
90,
90,
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} | 225 | LuTh2Nb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_RFqOmcqY9LyS28wZgPOtQtICLmdE | [
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90,
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90,
90,
77,
77,
77,
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46,
46,
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46
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} | 225 | Th2IrPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480269 | [
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90,
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90,
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} | 225 | LaTh2B | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ie6fsZVWz-bQ3smqx9h7xeKEuXDG | [
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90,
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76,
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} | 225 | LaTh2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480300 | [
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tar:NOMAD_wd-j547ri2ntAvZTWX7CkT4MaLJ1 | [
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tar:NOMAD_lbu47LXxO9bzXJjrSva4BpRW_NV1 | [
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} | 225 | LaTh2Sn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480350 | [
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90,
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tar:NOMAD_Y3Ce-Ta7gDxizqiqw-2Qchaez1Dc | [
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tar:NOMAD_pez8UaYJxTDdOFPQxRhOudwo9SpE | [
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90,
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31,
31,
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83,
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tar:NOMAD_xq58bBhRcRyPzsBGKeqN3Q0YVo7O | [
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90,
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90,
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} | 225 | HfTh2Cr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480408 | [
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69,
90,
90,
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tar:OQMD_480424 | [
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61,
90,
90,
90,
90,
90,
90,
90,
90,
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30,
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} | 225 | PmTh2Zn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_LBpjPkSzCQVkDI7RbYWeVdSdYoDb | [
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90,
90,
90,
90,
90,
90,
90,
90,
12,
12,
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} | 225 | YbTh2Mg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480453 | [
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19,
90,
90,
90,
90,
90,
90,
90,
90,
12,
12,
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12
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} | 225 | KTh2Mg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480469 | [
"Zr",
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90,
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90,
90,
90,
90,
90,
40,
40,
40,
40,
73,
73,
73,
73
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} | 225 | Th2ZrTa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_OSQ817_pO1gObmd9JNOUlWcjraI2 | [
"Ag",
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90,
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90,
90,
90,
90,
90,
47,
47,
47,
47,
50,
50,
50,
50
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} | 225 | Th2AgSn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_BIJfvu7B6jX584OHHyMZYYHrP1RQ | [
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90,
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90,
90,
90,
90,
90,
21,
21,
21,
21,
51,
51,
51,
51
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} | 225 | Th2ScSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480514 | [
"Al",
"Ir",
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90,
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90,
90,
90,
90,
90,
13,
13,
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77,
77,
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} | 225 | Th2AlIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480528 | [
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90,
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90,
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} | 225 | DyTh2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480545 | [
"Ag",
"W",
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90,
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90,
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47,
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} | 225 | Th2AgW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_cQb9ufu2lV3Ubl47QNqsUcEAQ2KS | [
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90,
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90,
90,
90,
90,
90,
90,
47,
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} | 225 | LiTh2Ag | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:NOMAD_5XcxxDT9wK_OFej5EctMH6ChwsEW | [
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90,
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90,
90,
90,
90,
90,
90,
49,
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} | 225 | HfTh2In | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_CX0FvVoYbUD8BJxbGiMmvoTheCWV | [
"Ba",
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90,
90,
90,
90,
90,
90,
90,
90,
76,
76,
76,
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} | 225 | BaTh2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480606 | [
"Rb",
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90,
90,
90,
90,
90,
90,
90,
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} | 225 | RbTh2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Tyip0aNtvgwrjIynsk-F9SA4i9DG | [
"Zn",
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90,
90,
90,
90,
30,
30,
30,
30,
42,
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} | 225 | Th2ZnMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480640 | [
"Ca",
"Au",
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] | [
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20,
20,
20,
90,
90,
90,
90,
90,
90,
90,
90,
79,
79,
79,
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} | 225 | CaTh2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480655 | [
"Ni",
"Hg",
"Th"
] | [
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90,
90,
90,
90,
90,
90,
90,
28,
28,
28,
28,
80,
80,
80,
80
] | 16 | 3 | [
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} | 225 | Th2NiHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_KZY__ZD8-hRxLZoTaL60cMAnyre4 | [
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65,
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65,
71,
71,
71,
71,
90,
90,
90,
90,
90,
90,
90,
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} | 225 | TbLuTh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480689 | [
"Ge",
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] | [
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90,
90,
90,
90,
90,
90,
90,
32,
32,
32,
32,
51,
51,
51,
51
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Th2GeSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_UUCBb5sa-wbuchU8Af9pklWvfnZe | [
"Al",
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] | [
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90,
90,
90,
90,
90,
90,
90,
22,
22,
22,
22,
13,
13,
13,
13
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"alpha": 90,
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} | 225 | Th2TiAl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_woN4-MmmCDRsUQFLP1b76FYTsFTu | [
"Ag",
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] | [
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90,
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90,
90,
90,
90,
90,
92,
92,
92,
92,
47,
47,
47,
47
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Th2UAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480725 | [
"Na",
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] | [
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11,
11,
11,
90,
90,
90,
90,
90,
90,
90,
90,
40,
40,
40,
40
] | 16 | 3 | [
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tar:NOMAD_B7M51IUzxjtCeT89hKIGjzmBAXb8 | [
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tar:OQMD_480787 | [
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tar:OQMD_480797 | [
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tar:NOMAD_1wo30s2O66BeI9mKujmwhHfYFlAq | [
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tar:NOMAD_hPEIi5QpQDgtBsq0MiaClJe2N9Cr | [
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tar:NOMAD__5F_zgViIWsjfVrsSp6B48culQGI | [
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tar:OQMD_480852 | [
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tar:NOMAD_LnmI5XMsMoZAgEsxjixVXoTDoGZS | [
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tar:OQMD_480877 | [
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tar:OQMD_480891 | [
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tar:NOMAD_fSdEjuYMNevECwJae1dP0ogcKZwf | [
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tar:NOMAD_pGJVnP40enRSfvrQoemZCPYLHhoJ | [
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90,
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90,
90,
90,
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23,
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"beta": 90,
"gamma": 90
} | 225 | DyTh2V | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_J9iXRPGlfSNuSCLFFu7W7Enl_fpA | [
"Ga",
"Ce",
"Th"
] | [
58,
58,
58,
58,
90,
90,
90,
90,
90,
90,
90,
90,
31,
31,
31,
31
] | 16 | 3 | [
[
0,
0.5,
0
],
[
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[
0.5,
0.5,
0.5
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[
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0.5,
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[
0.5,
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0.5
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[
0.5,
0.5,
0
]
] | {
"a": 7.733041286468506,
"b": 7.733041286468506,
"c": 7.733041286468506,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CeTh2Ga | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480961 | [
"Al",
"Th",
"Pa"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
91,
91,
91,
91,
13,
13,
13,
13
] | 16 | 3 | [
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[
0.25,
0.25,
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[
0.25,
0.25,
0.25
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[
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[
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[
0,
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[
0.5,
0,
0
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[
0.5,
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] | {
"a": 7.569565773010254,
"b": 7.569565773010254,
"c": 7.569565773010254,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Th2PaAl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_480980 | [
"Li",
"Sr",
"Th"
] | [
38,
38,
38,
38,
3,
3,
3,
3,
90,
90,
90,
90,
90,
90,
90,
90
] | 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,
0.5
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[
0,
0.5,
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[
0.5,
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[
0.5,
0.5,
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[
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0.25
],
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[
0.75,
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0.25,
0.25
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[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 7.966770172119141,
"b": 7.966770172119141,
"c": 7.966770172119141,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrLiTh2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_480996 | [
"Na",
"Eu",
"Th"
] | [
11,
11,
11,
11,
63,
63,
63,
63,
90,
90,
90,
90,
90,
90,
90,
90
] | 16 | 3 | [
[
0,
0,
0
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[
0,
0.5,
0.5
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[
0.5,
0,
0.5
],
[
0.5,
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0
],
[
0,
0,
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[
0,
0.5,
0
],
[
0.5,
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[
0.5,
0.5,
0.5
],
[
0.25,
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0.75
],
[
0.25,
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],
[
0.25,
0.25,
0.25
],
[
0.25,
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0.25
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[
0.75,
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[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 8.027629852294922,
"b": 8.027629852294922,
"c": 8.027629852294922,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaEuTh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481014 | [
"Co",
"Y",
"Th"
] | [
39,
39,
39,
39,
90,
90,
90,
90,
90,
90,
90,
90,
27,
27,
27,
27
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
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0
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[
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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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[
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[
0,
0.5,
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[
0.5,
0,
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],
[
0.5,
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]
] | {
"a": 7.365687847137451,
"b": 7.365687847137451,
"c": 7.365687847137451,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YTh2Co | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481027 | [
"Ga",
"Pr",
"Th"
] | [
59,
59,
59,
59,
90,
90,
90,
90,
90,
90,
90,
90,
31,
31,
31,
31
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
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[
0.5,
0,
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[
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0.5,
0
],
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[
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[
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0.75,
0.25
],
[
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],
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0.25,
0.75
],
[
0.75,
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[
0,
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],
[
0.5,
0,
0
],
[
0.5,
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]
] | {
"a": 7.721384048461914,
"b": 7.721384048461914,
"c": 7.721384048461914,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrTh2Ga | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481039 | [
"Ni",
"Ir",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
28,
28,
28,
28,
77,
77,
77,
77
] | 16 | 3 | [
[
0.25,
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],
[
0.25,
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],
[
0.25,
0.25,
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[
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[
0.75,
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0.75
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[
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0
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[
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[
0.5,
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[
0,
0.5,
0
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[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.075191974639893,
"b": 7.075191974639893,
"c": 7.075191974639893,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Th2NiIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ukWk5e2qRf5BBWtyBp-8Ec_g8mUz | [
"Eu",
"Ir",
"Th"
] | [
63,
63,
63,
63,
90,
90,
90,
90,
90,
90,
90,
90,
77,
77,
77,
77
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
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[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
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0.75,
0.25
],
[
0.25,
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0.25
],
[
0.75,
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[
0.25,
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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,
0,
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],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.3921709060668945,
"b": 7.3921709060668945,
"c": 7.3921709060668945,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuTh2Ir | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_jp2BAYvqGw98Wz8eBrgiXCFonDRT | [
"Cu",
"Zn",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
30,
30,
30,
30,
29,
29,
29,
29
] | 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,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
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],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.1941680908203125,
"b": 7.1941680908203125,
"c": 7.1941680908203125,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Th2ZnCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481084 | [
"V",
"Ce",
"Th"
] | [
58,
58,
58,
58,
90,
90,
90,
90,
90,
90,
90,
90,
23,
23,
23,
23
] | 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,
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],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
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],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.596787929534912,
"b": 7.596787929534912,
"c": 7.596787929534912,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CeTh2V | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_bP02DmQqZbqhKcAiZePvbeOcCEGB | [
"Sc",
"Ir",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
21,
21,
21,
21,
77,
77,
77,
77
] | 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,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
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[
0.5,
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[
0,
0,
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[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.335299968719482,
"b": 7.335299968719482,
"c": 7.335299968719482,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Th2ScIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481115 | [
"Ga",
"Er",
"Th"
] | [
68,
68,
68,
68,
90,
90,
90,
90,
90,
90,
90,
90,
31,
31,
31,
31
] | 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,
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0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
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],
[
0.25,
0.75,
0.75
],
[
0.75,
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0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.645261764526367,
"b": 7.645261764526367,
"c": 7.645261764526367,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ErTh2Ga | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481126 | [
"Bi",
"Th",
"Pu"
] | [
94,
94,
94,
94,
90,
90,
90,
90,
90,
90,
90,
90,
83,
83,
83,
83
] | 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
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.7553019523620605,
"b": 7.7553019523620605,
"c": 7.7553019523620605,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PuTh2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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