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_382989 | [
"Ga",
"Er",
"Yb"
] | [
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2ErGa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383004 | [
"Zr",
"Eu",
"Yb"
] | [
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70,
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2EuZr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383021 | [
"V",
"Sn",
"Yb"
] | [
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70,
70,
70,
70,
70,
70,
70,
23,
23,
23,
23,
50,
50,
50,
50
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Yb2VSn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383034 | [
"Sb",
"Yb",
"Ta"
] | [
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70,
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70,
70,
70,
70,
73,
73,
73,
73,
51,
51,
51,
51
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2TaSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383049 | [
"Ni",
"Cd",
"Yb"
] | [
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70,
70,
70,
70,
70,
70,
70,
48,
48,
48,
48,
28,
28,
28,
28
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2CdNi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383063 | [
"Pd",
"Yb",
"Os"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
76,
76,
76,
76,
46,
46,
46,
46
] | 16 | 3 | [
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] | {
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"b": 6.743566036224365,
"c": 6.743566036224365,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2OsPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383080 | [
"Zn",
"Yb",
"Pu"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
94,
94,
94,
94,
30,
30,
30,
30
] | 16 | 3 | [
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] | {
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"b": 7.5280680656433105,
"c": 7.5280680656433105,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2PuZn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383094 | [
"Sb",
"Yb",
"Bi"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
83,
83,
83,
83,
51,
51,
51,
51
] | 16 | 3 | [
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] | {
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"c": 7.766903877258301,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2BiSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383111 | [
"Na",
"Co",
"Yb"
] | [
11,
11,
11,
11,
70,
70,
70,
70,
70,
70,
70,
70,
27,
27,
27,
27
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaYb2Co | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383150 | [
"Be",
"Yb",
"Pt"
] | [
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70,
70,
70,
70,
70,
70,
70,
4,
4,
4,
4,
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78,
78,
78
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2BePt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383164 | [
"Ni",
"Mo",
"Yb"
] | [
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70,
70,
70,
70,
70,
70,
70,
28,
28,
28,
28,
42,
42,
42,
42
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2NiMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383183 | [
"Na",
"Nd",
"Yb"
] | [
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11,
11,
11,
70,
70,
70,
70,
70,
70,
70,
70,
60,
60,
60,
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] | 16 | 3 | [
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] | {
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"c": 8.31335163116455,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaYb2Nd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383199 | [
"Cr",
"Er",
"Yb"
] | [
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70,
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70,
70,
70,
70,
70,
68,
68,
68,
68,
24,
24,
24,
24
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2ErCr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383231 | [
"K",
"Ti",
"Yb"
] | [
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19,
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19,
70,
70,
70,
70,
70,
70,
70,
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22,
22,
22,
22
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KYb2Ti | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383247 | [
"Ru",
"Sm",
"Yb"
] | [
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70,
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70,
70,
70,
70,
70,
62,
62,
62,
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44,
44,
44
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Yb2SmRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383259 | [
"Y",
"Ba",
"Yb"
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70,
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70,
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"alpha": 90,
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} | 225 | BaYb2Y | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383272 | [
"Rh",
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} | 225 | Yb2TlRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383287 | [
"Cs",
"Yb",
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} | 225 | CsYb2Tl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383299 | [
"Rb",
"Yb",
"U"
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70,
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} | 225 | RbYb2U | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383311 | [
"La",
"Yb",
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70,
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} | 225 | LaYb2Ta | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383323 | [
"Sn",
"Sm",
"Yb"
] | [
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70,
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62,
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50,
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"alpha": 90,
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} | 225 | Yb2SmSn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383335 | [
"K",
"Ho",
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] | [
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19,
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70,
70,
70,
70,
70,
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} | 225 | KYb2Ho | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383350 | [
"Zn",
"Tc",
"Yb"
] | [
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70,
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70,
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30,
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43,
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"alpha": 90,
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} | 225 | Yb2ZnTc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383360 | [
"Rh",
"Te",
"Yb"
] | [
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70,
70,
70,
70,
52,
52,
52,
52,
45,
45,
45,
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} | 225 | Yb2TeRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383374 | [
"Yb",
"Re",
"Pa"
] | [
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70,
70,
70,
70,
91,
91,
91,
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"alpha": 90,
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} | 225 | Yb2PaRe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383387 | [
"Al",
"Gd",
"Yb"
] | [
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70,
70,
70,
70,
70,
64,
64,
64,
64,
13,
13,
13,
13
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"alpha": 90,
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} | 225 | Yb2GdAl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383405 | [
"Gd",
"Yb",
"Pa"
] | [
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70,
70,
70,
70,
64,
64,
64,
64,
91,
91,
91,
91
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"alpha": 90,
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} | 225 | Yb2GdPa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383417 | [
"Sb",
"Yb",
"Re"
] | [
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70,
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70,
70,
70,
70,
70,
75,
75,
75,
75,
51,
51,
51,
51
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"alpha": 90,
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} | 225 | Yb2ReSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383440 | [
"Sr",
"Gd",
"Yb"
] | [
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38,
70,
70,
70,
70,
70,
70,
70,
70,
64,
64,
64,
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] | {
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"alpha": 90,
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} | 225 | SrYb2Gd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383454 | [
"Ce",
"Eu",
"Yb"
] | [
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63,
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} | 225 | Yb2CeEu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383475 | [
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"Te",
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70,
70,
70,
70,
4,
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} | 225 | Yb2BeTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383490 | [
"Zn",
"Rb",
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] | [
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37,
70,
70,
70,
70,
70,
70,
70,
70,
30,
30,
30,
30
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"alpha": 90,
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} | 225 | RbYb2Zn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383506 | [
"As",
"Sm",
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70,
70,
70,
70,
62,
62,
62,
62,
33,
33,
33,
33
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"alpha": 90,
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} | 225 | Yb2SmAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383522 | [
"Mg",
"Yb",
"Hf"
] | [
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70,
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70,
70,
70,
70,
70,
72,
72,
72,
72,
12,
12,
12,
12
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} | 225 | Yb2HfMg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383535 | [
"Sm",
"Yb",
"Th"
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70,
70,
70,
70,
62,
62,
62,
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90,
90,
90,
90
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} | 225 | Yb2SmTh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383550 | [
"Yb",
"Np",
"Pu"
] | [
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70,
70,
70,
70,
70,
70,
70,
94,
94,
94,
94,
93,
93,
93,
93
] | 16 | 3 | [
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} | 225 | Yb2PuNp | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383564 | [
"Yb",
"Hg",
"U"
] | [
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70,
70,
70,
70,
70,
70,
70,
92,
92,
92,
92,
80,
80,
80,
80
] | 16 | 3 | [
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} | 225 | Yb2UHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383581 | [
"Ce",
"Sm",
"Yb"
] | [
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70,
70,
70,
70,
70,
70,
70,
58,
58,
58,
58,
62,
62,
62,
62
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Yb2CeSm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383595 | [
"Pd",
"Ho",
"Yb"
] | [
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70,
70,
70,
70,
70,
70,
70,
67,
67,
67,
67,
46,
46,
46,
46
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] | {
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"alpha": 90,
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} | 225 | Yb2HoPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383613 | [
"Yb",
"Tl",
"Pu"
] | [
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70,
70,
70,
70,
70,
70,
70,
94,
94,
94,
94,
81,
81,
81,
81
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Yb2PuTl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383626 | [
"Ce",
"Yb",
"Hf"
] | [
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70,
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70,
70,
70,
70,
70,
58,
58,
58,
58,
72,
72,
72,
72
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Yb2CeHf | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383645 | [
"Sc",
"La",
"Os"
] | [
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57,
57,
57,
57,
57,
57,
57,
21,
21,
21,
21,
76,
76,
76,
76
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | La2ScOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_383663 | [
"Al",
"La",
"Yb"
] | [
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57,
57,
57,
57,
57,
57,
57,
70,
70,
70,
70,
13,
13,
13,
13
] | 16 | 3 | [
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] | {
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} | 225 | La2YbAl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_qa7jn3Lqh_ABFlcE6395juXTMpQi | [
"Cd",
"La",
"Sm"
] | [
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57,
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57,
57,
57,
57,
57,
62,
62,
62,
62,
48,
48,
48,
48
] | 16 | 3 | [
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tar:OQMD_383937 | [
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tar:OQMD_383951 | [
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tar:OQMD_383967 | [
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tar:OQMD_383980 | [
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tar:OQMD_383996 | [
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tar:OQMD_384008 | [
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tar:OQMD_384021 | [
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tar:OQMD_384044 | [
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tar:NOMAD_23NFc8NpZP0OBTk9Xk4DwYtMxcez | [
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tar:OQMD_384073 | [
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tar:NOMAD_Pu8YFDrD-aLKWr6BCbi3El1SAIIG | [
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tar:OQMD_384110 | [
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tar:OQMD_384126 | [
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tar:NOMAD_C2FQF0mh3YatxB4XqU0AMM97ySJ2 | [
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tar:OQMD_384239 | [
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tar:NOMAD_6TjKNoh_2iZjKzPX3xNFm7nN2fQo | [
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tar:OQMD_384271 | [
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tar:OQMD_384281 | [
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tar:OQMD_384298 | [
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tar:OQMD_384310 | [
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tar:OQMD_384330 | [
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tar:OQMD_384346 | [
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tar:NOMAD_isHgYOSMyeey68vKFvs0j33XYytW | [
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] | {
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"c": 8.381969451904297,
"alpha": 90,
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"gamma": 90
} | 225 | La2EuHo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384376 | [
"Sn",
"La",
"Dy"
] | [
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57,
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57,
57,
57,
57,
57,
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66,
66,
66,
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50,
50,
50
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | La2DySn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384398 | [
"Mg",
"La",
"Re"
] | [
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57,
57,
57,
57,
57,
57,
57,
12,
12,
12,
12,
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75,
75,
75
] | 16 | 3 | [
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] | {
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"c": 7.410995960235596,
"alpha": 90,
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"gamma": 90
} | 225 | La2MgRe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384414 | [
"Rb",
"La",
"Pr"
] | [
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37,
37,
37,
57,
57,
57,
57,
57,
57,
57,
57,
59,
59,
59,
59
] | 16 | 3 | [
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0.5,
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] | {
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"alpha": 90,
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} | 225 | RbLa2Pr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384429 | [
"La",
"Os",
"Bi"
] | [
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57,
57,
57,
57,
57,
57,
57,
83,
83,
83,
83,
76,
76,
76,
76
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | La2BiOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384440 | [
"Li",
"La",
"Pa"
] | [
3,
3,
3,
3,
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57,
57,
57,
57,
57,
57,
57,
91,
91,
91,
91
] | 16 | 3 | [
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] | {
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} | 225 | LiLa2Pa | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_384451 | [
"La",
"Th",
"U"
] | [
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57,
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57,
57,
57,
57,
57,
90,
90,
90,
90,
92,
92,
92,
92
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | La2ThU | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384470 | [
"Al",
"La",
"Lu"
] | [
57,
57,
57,
57,
57,
57,
57,
57,
71,
71,
71,
71,
13,
13,
13,
13
] | 16 | 3 | [
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[
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[
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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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"b": 7.793878078460693,
"c": 7.793878078460693,
"alpha": 90,
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"gamma": 90
} | 225 | La2LuAl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384484 | [
"Ni",
"La",
"Os"
] | [
57,
57,
57,
57,
57,
57,
57,
57,
28,
28,
28,
28,
76,
76,
76,
76
] | 16 | 3 | [
[
0.75,
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0,
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[
0.5,
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | La2NiOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384498 | [
"La",
"Dy",
"Pt"
] | [
57,
57,
57,
57,
57,
57,
57,
57,
66,
66,
66,
66,
78,
78,
78,
78
] | 16 | 3 | [
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[
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[
0.5,
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]
] | {
"a": 7.564393997192383,
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"c": 7.564393997192383,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | La2DyPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_QuaUox5SCtnnxbkBa5pSFOkK_Elq | [
"Cs",
"La",
"U"
] | [
55,
55,
55,
55,
57,
57,
57,
57,
57,
57,
57,
57,
92,
92,
92,
92
] | 16 | 3 | [
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0.5
],
[
0.5,
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[
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]
] | {
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"c": 8.386422157287598,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsLa2U | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ez5t-KvZhcJYBzWcyrZATuWpAMRW | [
"B",
"Rb",
"La"
] | [
37,
37,
37,
37,
57,
57,
57,
57,
57,
57,
57,
57,
5,
5,
5,
5
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
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[
0.5,
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],
[
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[
0,
0.5,
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],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.436613082885742,
"b": 7.436613082885742,
"c": 7.436613082885742,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbLa2B | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384544 | [
"Mg",
"Sc",
"La"
] | [
57,
57,
57,
57,
57,
57,
57,
57,
12,
12,
12,
12,
21,
21,
21,
21
] | 16 | 3 | [
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],
[
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],
[
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0.25,
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],
[
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[
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[
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0
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[
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[
0.5,
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[
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[
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[
0,
0.5,
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],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
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"b": 7.817999839782715,
"c": 7.817999839782715,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | La2MgSc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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