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_379991 | [
"Na",
"Ca",
"As"
] | [
11,
11,
11,
11,
20,
20,
20,
20,
33,
33,
33,
33,
33,
33,
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] | 16 | 3 | [
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] | {
"a": 7.132994174957275,
"b": 7.132994174957275,
"c": 7.132994174957275,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaCaAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_c1-0QuEVA4ZwHWyeP4mGm2PZ3WZg | [
"Ca",
"As",
"Lu"
] | [
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20,
20,
20,
71,
71,
71,
71,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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],
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]
] | {
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"b": 7.127311706542969,
"c": 7.127311706542969,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaLuAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_2oCnNioaOtPSomk69GaHoobw0Mj- | [
"As",
"Re",
"U"
] | [
92,
92,
92,
92,
75,
75,
75,
75,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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]
] | {
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"b": 6.599235534667969,
"c": 6.599235534667969,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | UReAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380044 | [
"Mn",
"As",
"La"
] | [
57,
57,
57,
57,
25,
25,
25,
25,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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],
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]
] | {
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"b": 7.012241840362549,
"c": 7.012241840362549,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaMnAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380057 | [
"Zn",
"As",
"Ag"
] | [
30,
30,
30,
30,
47,
47,
47,
47,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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0
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],
[
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],
[
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]
] | {
"a": 6.643256187438965,
"b": 6.643256187438965,
"c": 6.643256187438965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ZnAgAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380070 | [
"As",
"Tc",
"Hf"
] | [
72,
72,
72,
72,
43,
43,
43,
43,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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0,
0.5,
0
],
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],
[
0.25,
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0.25
],
[
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]
] | {
"a": 6.41864013671875,
"b": 6.41864013671875,
"c": 6.41864013671875,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | HfTcAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380087 | [
"Ge",
"As",
"Ac"
] | [
89,
89,
89,
89,
32,
32,
32,
32,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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0.5,
0
],
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],
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]
] | {
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"b": 7.37586784362793,
"c": 7.37586784362793,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcGeAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380099 | [
"Al",
"As",
"Pm"
] | [
61,
61,
61,
61,
13,
13,
13,
13,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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0
],
[
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0.5
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],
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],
[
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]
] | {
"a": 7.046634197235107,
"b": 7.046634197235107,
"c": 7.046634197235107,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PmAlAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380114 | [
"Si",
"Ca",
"As"
] | [
20,
20,
20,
20,
14,
14,
14,
14,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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0.5,
0
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],
[
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]
] | {
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"b": 6.967949867248535,
"c": 6.967949867248535,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaSiAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_xYJd92BeeMyszJO3AjfkhRZxjvEm | [
"As",
"Tc",
"Ru"
] | [
43,
43,
43,
43,
33,
33,
33,
33,
33,
33,
33,
33,
44,
44,
44,
44
] | 16 | 3 | [
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0
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]
] | {
"a": 6.151120662689209,
"b": 6.151120662689209,
"c": 6.151120662689209,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TcAs2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_3FyN7pUIFIwwn4ctxwyfUzgDcAKU | [
"Fe",
"As",
"Pa"
] | [
91,
91,
91,
91,
26,
26,
26,
26,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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] | {
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"c": 6.675449848175049,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PaFeAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380160 | [
"As",
"Te",
"U"
] | [
92,
92,
92,
92,
52,
52,
52,
52,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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],
[
0.75,
0.25,
0.75
],
[
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0.75,
0.75
]
] | {
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"b": 7.132512092590332,
"c": 7.132512092590332,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | UTeAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380174 | [
"Co",
"As",
"Hg"
] | [
27,
27,
27,
27,
80,
80,
80,
80,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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] | {
"a": 6.53718376159668,
"b": 6.53718376159668,
"c": 6.53718376159668,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CoHgAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380192 | [
"Ca",
"As",
"Ac"
] | [
20,
20,
20,
20,
89,
89,
89,
89,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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[
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]
] | {
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"b": 7.547689914703369,
"c": 7.547689914703369,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaAcAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380207 | [
"As",
"Zr",
"Hg"
] | [
40,
40,
40,
40,
80,
80,
80,
80,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
[
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0
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],
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] | {
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"alpha": 90,
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} | 225 | ZrHgAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380218 | [
"As",
"Cd",
"Os"
] | [
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48,
48,
48,
33,
33,
33,
33,
33,
33,
33,
33,
76,
76,
76,
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} | 225 | CdAs2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380233 | [
"Ti",
"As",
"Os"
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22,
22,
22,
33,
33,
33,
33,
33,
33,
33,
33,
76,
76,
76,
76
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"alpha": 90,
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} | 225 | TiAs2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380246 | [
"Ni",
"As",
"Sm"
] | [
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62,
62,
62,
28,
28,
28,
28,
33,
33,
33,
33,
33,
33,
33,
33
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] | {
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"alpha": 90,
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} | 225 | SmNiAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380264 | [
"Mn",
"Zn",
"As"
] | [
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25,
25,
25,
30,
30,
30,
30,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | MnZnAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380280 | [
"Fe",
"As",
"In"
] | [
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49,
49,
49,
26,
26,
26,
26,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | InFeAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380294 | [
"As",
"Tc",
"Dy"
] | [
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66,
66,
66,
43,
43,
43,
43,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | DyTcAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380313 | [
"As",
"Y",
"Ce"
] | [
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58,
58,
58,
39,
39,
39,
39,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | CeYAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_2PE5ep4JoJB4gszZEuUm_JzHWgAq | [
"As",
"Y",
"Nb"
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39,
39,
39,
41,
41,
41,
41,
33,
33,
33,
33,
33,
33,
33,
33
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] | {
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"alpha": 90,
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} | 225 | YNbAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380342 | [
"As",
"Dy",
"Ir"
] | [
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66,
66,
66,
33,
33,
33,
33,
33,
33,
33,
33,
77,
77,
77,
77
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | DyAs2Ir | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380356 | [
"As",
"Eu",
"Tb"
] | [
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65,
65,
65,
63,
63,
63,
63,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | TbEuAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_gygfdMQMTpUvNSsUSJ-Rz3AADPmD | [
"Ti",
"As",
"Nb"
] | [
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22,
22,
22,
41,
41,
41,
41,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | TiNbAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_MYh3YWE4fyCg6eerTxY_YcLw5J-9 | [
"As",
"Zr",
"Pm"
] | [
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61,
61,
61,
40,
40,
40,
40,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | PmZrAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380393 | [
"As",
"Sr",
"Er"
] | [
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38,
38,
38,
68,
68,
68,
68,
33,
33,
33,
33,
33,
33,
33,
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] | {
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"alpha": 90,
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} | 225 | SrErAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380408 | [
"As",
"Tc",
"Tm"
] | [
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69,
69,
69,
43,
43,
43,
43,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 3 | [
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] | {
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} | 225 | TmTcAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380422 | [
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} | 225 | ScAs2Ir | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380433 | [
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tar:OQMD_380449 | [
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} | 225 | HgAs2Ir | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_cNWuO-j_3BJ7AbYzxsRXH0kTdHb8 | [
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33,
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} | 225 | TbCeAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380477 | [
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33,
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33,
33,
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79,
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} | 225 | CoAs2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380487 | [
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tar:OQMD_380498 | [
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33,
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} | 225 | SmReAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380510 | [
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93,
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33,
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} | 225 | BaNpAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380539 | [
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33,
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} | 225 | BeInAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380553 | [
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42,
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33,
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33,
33,
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} | 225 | ScMoAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380566 | [
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5,
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} | 225 | MnBAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_-QeZRniABaM1cj2UYYDoMbIzteHB | [
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33,
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} | 225 | YVAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380595 | [
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31,
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33,
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33,
33,
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} | 225 | NbGaAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380615 | [
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23,
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23,
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33,
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} | 225 | TiVAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380631 | [
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tar:OQMD_380645 | [
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tar:OQMD_380655 | [
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tar:OQMD_380673 | [
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tar:OQMD_380687 | [
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} | 225 | GdYAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Hs-6-5L9Y83t5jwhqmLtHI1kVwTi | [
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} | 225 | TbSiAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380715 | [
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tar:NOMAD_y0bprtollMHCm7hqjbAAabpe85Vy | [
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} | 225 | BaNiAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380748 | [
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} | 225 | RbUAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380763 | [
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} | 225 | LaAs2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_eYUWGtI3-OZeIDctoBFnjToSKTeL | [
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} | 225 | NbFeAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380790 | [
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} | 225 | RbGdAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380803 | [
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31,
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33,
33,
33,
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33,
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} | 225 | YGaAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380820 | [
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13,
33,
33,
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} | 225 | SrAlAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380829 | [
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27,
27,
27,
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33,
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33,
33,
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] | {
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"alpha": 90,
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} | 225 | PuCoAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380845 | [
"Li",
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33,
33,
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"alpha": 90,
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} | 225 | LiBeAs2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_380863 | [
"Mg",
"As",
"Rh"
] | [
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33,
33,
33,
33,
33,
33,
33,
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45,
45,
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} | 225 | MgAs2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380877 | [
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33,
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33,
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"alpha": 90,
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} | 225 | BaBAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380891 | [
"Co",
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27,
27,
27,
33,
33,
33,
33,
33,
33,
33,
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"alpha": 90,
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} | 225 | LuCoAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380904 | [
"Zn",
"As",
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30,
30,
33,
33,
33,
33,
33,
33,
33,
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} | 225 | TbZnAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_7Aq85b7dpsGv8nxOdhlkY266YlFM | [
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33,
33,
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33,
33,
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"alpha": 90,
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} | 225 | ErSiAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380938 | [
"Na",
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33,
33,
33,
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33,
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"alpha": 90,
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} | 225 | NaAs2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380960 | [
"As",
"Tm",
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] | [
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69,
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69,
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80,
80,
80,
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33,
33,
33,
33,
33,
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} | 225 | TmHgAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380974 | [
"Al",
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13,
13,
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33,
33,
33,
33,
33,
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"alpha": 90,
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} | 225 | SmAlAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_380991 | [
"As",
"Gd",
"Dy"
] | [
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66,
66,
66,
66,
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33,
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33,
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} | 225 | GdDyAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381012 | [
"Si",
"As",
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14,
14,
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33,
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33,
33,
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} | 225 | SmSiAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381026 | [
"As",
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33,
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33,
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} | 225 | CeSmAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381043 | [
"As",
"Pm",
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33,
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33,
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} | 225 | PmAs2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_pzlyZ3F8mPawvhvv5r1cEYpft-YD | [
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33,
33,
33,
33,
33,
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} | 225 | UBAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_t_Fi4NAbpIgFRPpLa8q7lmDIEx3F | [
"As",
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} | 225 | ThPaAs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381100 | [
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tar:OQMD_381115 | [
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tar:OQMD_381127 | [
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tar:OQMD_381142 | [
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tar:OQMD_381155 | [
"Rh",
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tar:OQMD_381167 | [
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tar:OQMD_381178 | [
"Be",
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} | 225 | Yb2BeAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381193 | [
"Al",
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} | 225 | AcYb2Al | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381212 | [
"Yb",
"Lu",
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70,
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70,
71,
71,
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tar:OQMD_381225 | [
"La",
"Yb",
"Th"
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70,
70,
70,
70,
70,
90,
90,
90,
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tar:OQMD_381239 | [
"Nd",
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} | 225 | Yb2NdTm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381252 | [
"Ca",
"Ti",
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70,
70,
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22
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} | 225 | CaYb2Ti | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381266 | [
"Er",
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} | 225 | Yb2ErOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381280 | [
"Dy",
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} | 225 | Yb2DyHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381294 | [
"Er",
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[
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[
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0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 8.057519912719727,
"b": 8.057519912719727,
"c": 8.057519912719727,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2ErTm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381307 | [
"Ba",
"Yb",
"Hg"
] | [
56,
56,
56,
56,
70,
70,
70,
70,
70,
70,
70,
70,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
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[
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[
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[
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[
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0.5,
0.5
],
[
0.5,
0,
0.5
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[
0.5,
0.5,
0
]
] | {
"a": 7.96104621887207,
"b": 7.96104621887207,
"c": 7.96104621887207,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaYb2Hg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381323 | [
"Sc",
"Er",
"Yb"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
68,
68,
68,
68,
21,
21,
21,
21
] | 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
],
[
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[
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[
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[
0.5,
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[
0.5,
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[
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[
0,
0.5,
0
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[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.8855390548706055,
"b": 7.8855390548706055,
"c": 7.8855390548706055,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2ErSc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381339 | [
"Zn",
"Gd",
"Yb"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
64,
64,
64,
64,
30,
30,
30,
30
] | 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
],
[
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[
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0.75,
0.75
],
[
0.25,
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0.25
],
[
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0.25,
0.25
],
[
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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
]
] | {
"a": 7.677241802215576,
"b": 7.677241802215576,
"c": 7.677241802215576,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2GdZn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381354 | [
"Ca",
"Cd",
"Yb"
] | [
20,
20,
20,
20,
70,
70,
70,
70,
70,
70,
70,
70,
48,
48,
48,
48
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
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0.25
],
[
0.25,
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0.25
],
[
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],
[
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],
[
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0.75
],
[
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[
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0.25
],
[
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[
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0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.932638168334961,
"b": 7.932638168334961,
"c": 7.932638168334961,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaYb2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381368 | [
"Be",
"Ca",
"Yb"
] | [
20,
20,
20,
20,
70,
70,
70,
70,
70,
70,
70,
70,
4,
4,
4,
4
] | 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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],
[
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0.25
],
[
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0.25
],
[
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0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
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],
[
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0.75
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[
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
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"b": 7.758825778961182,
"c": 7.758825778961182,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaYb2Be | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381383 | [
"V",
"Rb",
"Yb"
] | [
37,
37,
37,
37,
70,
70,
70,
70,
70,
70,
70,
70,
23,
23,
23,
23
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
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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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[
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[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 8.319292068481445,
"b": 8.319292068481445,
"c": 8.319292068481445,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbYb2V | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381395 | [
"Ge",
"Gd",
"Yb"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
64,
64,
64,
64,
32,
32,
32,
32
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
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],
[
0.25,
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0.75
],
[
0.25,
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0.75
],
[
0.75,
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],
[
0.25,
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0.25
],
[
0.75,
0.25,
0.25
],
[
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
]
] | {
"a": 7.587098121643066,
"b": 7.587098121643066,
"c": 7.587098121643066,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2GdGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381411 | [
"Al",
"Yb",
"Au"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
13,
13,
13,
13,
79,
79,
79,
79
] | 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,
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
]
] | {
"a": 7.257160186767578,
"b": 7.257160186767578,
"c": 7.257160186767578,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2AlAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381427 | [
"Zr",
"Ag",
"Yb"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
40,
40,
40,
40,
47,
47,
47,
47
] | 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,
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
]
] | {
"a": 7.401301860809326,
"b": 7.401301860809326,
"c": 7.401301860809326,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2ZrAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381446 | [
"Al",
"Yb",
"W"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
13,
13,
13,
13,
74,
74,
74,
74
] | 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,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
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[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.182072162628174,
"b": 7.182072162628174,
"c": 7.182072162628174,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2AlW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381463 | [
"Ga",
"Dy",
"Yb"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
66,
66,
66,
66,
31,
31,
31,
31
] | 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,
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
]
] | {
"a": 7.629271984100342,
"b": 7.629271984100342,
"c": 7.629271984100342,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2DyGa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381476 | [
"Mg",
"Yb",
"Th"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
90,
90,
90,
90,
12,
12,
12,
12
] | 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,
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
]
] | {
"a": 8.070134162902832,
"b": 8.070134162902832,
"c": 8.070134162902832,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2ThMg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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