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:NOMAD_mhE1X19qpnPUtSv8PQAqwYjWoOcx | [
"Nb",
"Ta"
] | [
73,
73,
73,
41,
41,
41
] | 6 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.1666666716337204
],
[
1,
1,
0.5
],
[
0.6666666865348816,
0.3333333432674408,
0.8333333134651184
],
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.33333334... | {
"a": 2.982431650161743,
"b": 2.982431650161743,
"c": 14.605645179748535,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | TaNb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_328636 | [
"Sc",
"Cs"
] | [
55,
55,
55,
21,
21,
21
] | 6 | 2 | [
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.3333333432674408,
0.6666666865348816,
0.6666666865348816
],
[
0.3333333432674408,
0.6666666865348816,
0.1666666716337204
],
[
1,
1,
0.5
],
[
0.66666668... | {
"a": 3.599384069442749,
"b": 3.599384069442749,
"c": 20.602617263793945,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | CsSc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_328652 | [
"As",
"Rb"
] | [
37,
37,
37,
33,
33,
33
] | 6 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.1666666716337204
],
[
1,
1,
0.5
],
[
0.6666666865348816,
0.3333333432674408,
0.8333333134651184
],
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.33333334... | {
"a": 3.5241637229919434,
"b": 3.5241637229919434,
"c": 17.0766544342041,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | RbAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_328671 | [
"W",
"Ac"
] | [
89,
89,
89,
74,
74,
74
] | 6 | 2 | [
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.3333333432674408,
0.6666666865348816,
0.6666666865348816
],
[
0.3333333432674408,
0.6666666865348816,
0.1666666716337204
],
[
1,
1,
0.5
],
[
0.66666668... | {
"a": 3.535210132598877,
"b": 3.535210132598877,
"c": 14.733536720275879,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | AcW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_328687 | [
"Be",
"Pd"
] | [
4,
4,
4,
46,
46,
46
] | 6 | 2 | [
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.3333333432674408,
0.6666666865348816,
0.6666666865348816
],
[
0.3333333432674408,
0.6666666865348816,
0.1666666716337204
],
[
1,
1,
0.5
],
[
0.66666668... | {
"a": 2.754657745361328,
"b": 2.754657745361328,
"c": 10.676885604858398,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | BePd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_rl6QSWG0fFQMSGDRG00pPHxe7SZy | [
"Mo",
"Ce"
] | [
58,
58,
58,
42,
42,
42
] | 6 | 2 | [
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.3333333432674408,
0.6666666865348816,
0.6666666865348816
],
[
0.3333333432674408,
0.6666666865348816,
0.1666666716337204
],
[
1,
1,
0.5
],
[
0.66666668... | {
"a": 3.456249475479126,
"b": 3.456249475479126,
"c": 13.755227088928223,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | CeMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_lc81ahOKXXabEc2ldxrmCshWq8BI | [
"Fe",
"Tb"
] | [
65,
65,
65,
26,
26,
26
] | 6 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.1666666716337204
],
[
1,
1,
0.5
],
[
0.6666666865348816,
0.3333333432674408,
0.8333333134651184
],
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.33333334... | {
"a": 3.391974449157715,
"b": 3.391974449157715,
"c": 12.214186668395996,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | TbFe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_328764 | [
"Sm",
"Hg"
] | [
62,
62,
62,
80,
80,
80
] | 6 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.1666666716337204
],
[
1,
1,
0.5
],
[
0.6666666865348816,
0.3333333432674408,
0.8333333134651184
],
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.33333334... | {
"a": 3.6643102169036865,
"b": 3.6643102169036865,
"c": 14.758772850036621,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | SmHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_328779 | [
"Co",
"Mo"
] | [
27,
27,
27,
42,
42,
42
] | 6 | 2 | [
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.3333333432674408,
0.6666666865348816,
0.6666666865348816
],
[
0.3333333432674408,
0.6666666865348816,
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],
[
1,
1,
0.5
],
[
0.66666668... | {
"a": 2.6852166652679443,
"b": 2.6852166652679443,
"c": 12.85818862915039,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | CoMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_cc7JW38BEY7l514imDLgeaSypKHl | [
"Li",
"Al"
] | [
3,
3,
3,
13,
13,
13
] | 6 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.1666666716337204
],
[
1,
1,
0.5
],
[
0.6666666865348816,
0.3333333432674408,
0.8333333134651184
],
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.33333334... | {
"a": 2.8207013607025146,
"b": 2.8207013607025146,
"c": 13.876611709594727,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | LiAl | general_inorganic | true | 3 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_328811 | [
"Au",
"Pa"
] | [
91,
91,
91,
79,
79,
79
] | 6 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.1666666716337204
],
[
1,
1,
0.5
],
[
0.6666666865348816,
0.3333333432674408,
0.8333333134651184
],
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.33333334... | {
"a": 3.1761205196380615,
"b": 3.1761205196380615,
"c": 15.487325668334961,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | PaAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_tBX_GmtiudrUGkmXLMxUmcBtsgyi | [
"Sb",
"Eu"
] | [
63,
63,
63,
51,
51,
51
] | 6 | 2 | [
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.3333333432674408,
0.6666666865348816,
0.6666666865348816
],
[
0.3333333432674408,
0.6666666865348816,
0.1666666716337204
],
[
1,
1,
0.5
],
[
0.66666668... | {
"a": 4.183872699737549,
"b": 4.183872699737549,
"c": 13.424542427062988,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | EuSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_328846 | [
"Be",
"Hf"
] | [
72,
72,
72,
4,
4,
4
] | 6 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.1666666716337204
],
[
1,
1,
0.5
],
[
0.6666666865348816,
0.3333333432674408,
0.8333333134651184
],
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.33333334... | {
"a": 3.221033811569214,
"b": 3.221033811569214,
"c": 11.082515716552734,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | HfBe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_328858 | [
"K",
"Re"
] | [
19,
19,
19,
75,
75,
75
] | 6 | 2 | [
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.3333333432674408,
0.6666666865348816,
0.6666666865348816
],
[
0.3333333432674408,
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],
[
1,
1,
0.5
],
[
0.66666668... | {
"a": 2.778538227081299,
"b": 2.778538227081299,
"c": 18.024009704589844,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | KRe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_328876 | [
"Ru",
"In"
] | [
49,
49,
49,
44,
44,
44
] | 6 | 2 | [
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.3333333432674408,
0.6666666865348816,
0.6666666865348816
],
[
0.3333333432674408,
0.6666666865348816,
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],
[
1,
1,
0.5
],
[
0.66666668... | {
"a": 3.07704758644104,
"b": 3.07704758644104,
"c": 12.771110534667969,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | InRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_J7H4aawH8HUyS2CLpP49Wrb9BKYx | [
"Nd",
"Lu"
] | [
60,
60,
60,
71,
71,
71
] | 6 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.1666666716337204
],
[
1,
1,
0.5
],
[
0.6666666865348816,
0.3333333432674408,
0.8333333134651184
],
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.33333334... | {
"a": 3.5743749141693115,
"b": 3.5743749141693115,
"c": 17.169530868530273,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | NdLu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_gVgWlu8CwYQP6QI2_UPm6rns2anR | [
"W",
"Th"
] | [
90,
90,
90,
74,
74,
74
] | 6 | 2 | [
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.3333333432674408,
0.6666666865348816,
0.6666666865348816
],
[
0.3333333432674408,
0.6666666865348816,
0.1666666716337204
],
[
1,
1,
0.5
],
[
0.66666668... | {
"a": 3.5186567306518555,
"b": 3.5186567306518555,
"c": 13.471138954162598,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | ThW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_328933 | [
"Mg",
"Tb"
] | [
65,
65,
65,
12,
12,
12
] | 6 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.1666666716337204
],
[
1,
1,
0.5
],
[
0.6666666865348816,
0.3333333432674408,
0.8333333134651184
],
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.33333334... | {
"a": 3.512633800506592,
"b": 3.512633800506592,
"c": 16.085172653198242,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | TbMg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_328953 | [
"Li",
"Th"
] | [
3,
3,
3,
90,
90,
90
] | 6 | 2 | [
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.3333333432674408,
0.6666666865348816,
0.6666666865348816
],
[
0.3333333432674408,
0.6666666865348816,
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],
[
1,
1,
0.5
],
[
0.66666668... | {
"a": 3.379610061645508,
"b": 3.379610061645508,
"c": 16.272510528564453,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | LiTh | general_inorganic | true | 3 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:NOMAD_2LwzGVkaciWa0rkEvG6EVfrYPfqT | [
"Mo",
"Gd"
] | [
64,
64,
64,
42,
42,
42
] | 6 | 2 | [
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.3333333432674408
],
[
0.3333333432674408,
0.6666666865348816,
0.6666666865348816
],
[
0.3333333432674408,
0.6666666865348816,
0.1666666716337204
],
[
1,
1,
0.5
],
[
0.66666668... | {
"a": 3.2258975505828857,
"b": 3.2258975505828857,
"c": 14.383973121643066,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 166 | GdMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_rZ2oyEl-BnT8n4xXu56pnJ6KMYxO | [
"In",
"Sm"
] | [
62,
49
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.5629618167877197,
"b": 3.5629618167877197,
"c": 4.399050712585449,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | SmIn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_335996 | [
"Nd",
"Gd"
] | [
60,
64
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.603713035583496,
"b": 3.603713035583496,
"c": 5.126145839691162,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | NdGd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336023 | [
"Co",
"Rh"
] | [
27,
45
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.641651153564453,
"b": 2.641651153564453,
"c": 3.6570329666137695,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | CoRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Pw6m75OF2-8cgFlFps2RrEALbduO | [
"Sb",
"Yb"
] | [
70,
51
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.6311185359954834,
"b": 3.6311185359954834,
"c": 4.269982814788818,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | YbSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336067 | [
"Cu",
"Os"
] | [
29,
76
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.611786127090454,
"b": 2.611786127090454,
"c": 3.881709098815918,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | CuOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336095 | [
"Mg",
"Te"
] | [
12,
52
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.7106773853302,
"b": 3.7106773853302,
"c": 3.7106773853302,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | MgTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336156 | [
"Cl",
"Bi"
] | [
83,
17
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.301236867904663,
"b": 3.301236867904663,
"c": 4.776516914367676,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | BiCl | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_336182 | [
"K",
"Pt"
] | [
19,
78
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.940308094024658,
"b": 2.940308094024658,
"c": 5.048602104187012,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | KPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336198 | [
"Be",
"B"
] | [
4,
5
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 2.0985267162323,
"b": 2.0985267162323,
"c": 3.020714044570923,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | BeB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336224 | [
"Dy",
"Th"
] | [
66,
90
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.55513072013855,
"b": 3.55513072013855,
"c": 5.032726764678955,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | DyTh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ii3vMh8PgwKPic13yGYl7k_IJyjW | [
"Tb",
"Ta"
] | [
65,
73
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.0311615467071533,
"b": 3.0311615467071533,
"c": 5.016088485717773,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | TbTa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_9C4YGdr2-4Z-wNDqulkcU1QwlDB8 | [
"Mo",
"Ru"
] | [
42,
44
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.7559807300567627,
"b": 2.7559807300567627,
"c": 3.8980941772460938,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | MoRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336299 | [
"Cl",
"U"
] | [
92,
17
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.1153526306152344,
"b": 3.1153526306152344,
"c": 4.296146869659424,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | UCl | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_336330 | [
"B",
"F"
] | [
5,
9
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.202319383621216,
"b": 2.202319383621216,
"c": 3.331615924835205,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | BF | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_1521004 | [
"Zr",
"Pt"
] | [
40,
78
] | 2 | 2 | [
[
0.5,
0.5,
0
],
[
0,
0,
0.5
]
] | {
"a": 3.011662244796753,
"b": 3.011662244796753,
"c": 4.017118453979492,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | ZrPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336390 | [
"Ti",
"Yb"
] | [
70,
22
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.1108827590942383,
"b": 3.1108827590942383,
"c": 5.170513153076172,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | YbTi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336419 | [
"Ga",
"Lu"
] | [
71,
31
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.3189873695373535,
"b": 3.3189873695373535,
"c": 3.8843019008636475,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | LuGa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336444 | [
"Nd",
"Yb"
] | [
70,
60
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.702087640762329,
"b": 3.702087640762329,
"c": 5.265443801879883,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | YbNd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_wbDaw0xWSqeO1vFetLlfknYpu6ty | [
"Li",
"Cs"
] | [
55,
3
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.696000337600708,
"b": 3.696000337600708,
"c": 6.292778968811035,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | CsLi | general_inorganic | true | 1 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:NOMAD_kMCH7BGVKEQ8KbzqY0oaFK1CxjTC | [
"Co",
"Cd"
] | [
48,
27
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.799344778060913,
"b": 2.799344778060913,
"c": 3.9445455074310303,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | CdCo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336509 | [
"Tl",
"Pb"
] | [
81,
82
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.49147629737854,
"b": 3.49147629737854,
"c": 4.936899185180664,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | TlPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336535 | [
"K",
"Nd"
] | [
19,
60
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.548518419265747,
"b": 3.548518419265747,
"c": 7.084510803222656,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | KNd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336568 | [
"Sc",
"Tm"
] | [
69,
21
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.3070104122161865,
"b": 3.3070104122161865,
"c": 4.709819793701172,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | TmSc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336584 | [
"K",
"Mn"
] | [
19,
25
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.4281537532806396,
"b": 3.4281537532806396,
"c": 5.51858377456665,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | KMn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336609 | [
"Pm",
"Sm"
] | [
61,
62
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.5685932636260986,
"b": 3.5685932636260986,
"c": 5.228937149047852,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | PmSm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336641 | [
"Cu",
"Sr"
] | [
38,
29
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.757097005844116,
"b": 3.757097005844116,
"c": 3.757097005844116,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SrCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336704 | [
"Sr",
"Tb"
] | [
38,
65
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.719045400619507,
"b": 3.719045400619507,
"c": 5.763216972351074,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | SrTb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_m0c4_VlGTyOriOsfQJBfRj0qNSo- | [
"Ca",
"Dy"
] | [
20,
66
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.5723695755004883,
"b": 3.5723695755004883,
"c": 5.476407527923584,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | CaDy | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336749 | [
"Na",
"Ni"
] | [
11,
28
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.609372854232788,
"b": 2.609372854232788,
"c": 4.501070976257324,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | NaNi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336774 | [
"Ge",
"Np"
] | [
93,
32
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.172647476196289,
"b": 3.172647476196289,
"c": 4.140564918518066,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | NpGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336804 | [
"Yb",
"Hf"
] | [
70,
72
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.203728199005127,
"b": 3.203728199005127,
"c": 5.086345195770264,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | YbHf | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_U2btZS4cZ99UFMH-zheLZF8VFAmO | [
"As",
"Cs"
] | [
55,
33
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.483626365661621,
"b": 3.483626365661621,
"c": 5.642882347106934,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | CsAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336867 | [
"V",
"Hg"
] | [
23,
80
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 2.8953278064727783,
"b": 2.8953278064727783,
"c": 4.052175045013428,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | VHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336892 | [
"Sc",
"Ti"
] | [
21,
22
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.9915692806243896,
"b": 2.9915692806243896,
"c": 4.389122009277344,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | ScTi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336944 | [
"Os",
"Pu"
] | [
94,
76
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 2.948878526687622,
"b": 2.948878526687622,
"c": 3.9778850078582764,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | PuOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_336967 | [
"Cl",
"Sn"
] | [
50,
17
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.310955286026001,
"b": 3.310955286026001,
"c": 4.552032947540283,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | SnCl | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_336987 | [
"Ag",
"Np"
] | [
93,
47
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 2.9813785552978516,
"b": 2.9813785552978516,
"c": 4.8166279792785645,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | NpAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_BV13458XfhOZ0oeD45z4DbJRc81Z | [
"H",
"Be"
] | [
4,
1
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.2671098709106445,
"b": 2.2671098709106445,
"c": 2.2671098709106445,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | BeH | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337076 | [
"Eu",
"Tm"
] | [
63,
69
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.6166276931762695,
"b": 3.6166276931762695,
"c": 5.252921104431152,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | EuTm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337106 | [
"Ga",
"Ta"
] | [
73,
31
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 2.8532872200012207,
"b": 2.8532872200012207,
"c": 4.084335803985596,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | TaGa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337133 | [
"Be",
"Al"
] | [
4,
13
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 2.654552698135376,
"b": 2.654552698135376,
"c": 3.5788609981536865,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | BeAl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337168 | [
"Ir",
"Au"
] | [
77,
79
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 2.8320882320404053,
"b": 2.8320882320404053,
"c": 4.001407146453857,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | IrAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337197 | [
"Mg",
"Sc"
] | [
12,
21
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.145742654800415,
"b": 3.145742654800415,
"c": 4.486722946166992,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | MgSc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ByMobL7TIC3akHMdL7wYejokVAit | [
"Zr",
"Gd"
] | [
64,
40
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.354194402694702,
"b": 3.354194402694702,
"c": 4.797354221343994,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | GdZr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_OGE3Z3AWF13qV3HjrfcuNHe_2inL | [
"Pm",
"Au"
] | [
61,
79
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.4940054416656494,
"b": 3.4940054416656494,
"c": 3.9799768924713135,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | PmAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_R1jhQIxAwUUQpW9msl3GxFDILnCM | [
"Hf",
"Pu"
] | [
94,
72
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.1604042053222656,
"b": 3.1604042053222656,
"c": 4.663877964019775,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | PuHf | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337290 | [
"Li",
"Pm"
] | [
3,
61
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.3648171424865723,
"b": 3.3648171424865723,
"c": 4.75833797454834,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | LiPm | general_inorganic | true | 1 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_337335 | [
"Pb",
"Bi"
] | [
83,
82
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.560986280441284,
"b": 3.560986280441284,
"c": 5.058082103729248,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | BiPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337349 | [
"F",
"Cu"
] | [
29,
9
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.643841505050659,
"b": 2.643841505050659,
"c": 2.932750940322876,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | CuF | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_337367 | [
"Ca",
"Os"
] | [
20,
76
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.856321334838867,
"b": 2.856321334838867,
"c": 4.6183929443359375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | CaOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Mrqg396yVhV2WCCy5AMno6SRl5Gk | [
"Ti",
"Pr"
] | [
59,
22
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.302245855331421,
"b": 3.302245855331421,
"c": 4.608956813812256,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | PrTi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337412 | [
"Ir",
"Pu"
] | [
94,
77
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 2.702915668487549,
"b": 2.702915668487549,
"c": 4.579466819763184,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | PuIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337439 | [
"Eu",
"Dy"
] | [
63,
66
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.6157612800598145,
"b": 3.6157612800598145,
"c": 5.4043731689453125,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | EuDy | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337458 | [
"Cd",
"Pu"
] | [
94,
48
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.1025350093841553,
"b": 3.1025350093841553,
"c": 4.968879222869873,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | PuCd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337499 | [
"F",
"Pd"
] | [
46,
9
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 2.6415674686431885,
"b": 2.6415674686431885,
"c": 3.50602388381958,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | PdF | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_337527 | [
"Ge",
"Pu"
] | [
94,
32
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.201598882675171,
"b": 3.201598882675171,
"c": 4.169104099273682,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | PuGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337580 | [
"F",
"Dy"
] | [
66,
9
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.981069803237915,
"b": 2.981069803237915,
"c": 3.6708149909973145,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | DyF | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_337604 | [
"Rb",
"Ta"
] | [
37,
73
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.9358692169189453,
"b": 2.9358692169189453,
"c": 6.5996527671813965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | RbTa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337623 | [
"In",
"Re"
] | [
49,
75
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.8675849437713623,
"b": 2.8675849437713623,
"c": 4.310928821563721,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | InRe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337639 | [
"Ba",
"U"
] | [
56,
92
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.279073715209961,
"b": 3.279073715209961,
"c": 6.268838882446289,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | BaU | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337652 | [
"Er",
"Pb"
] | [
68,
82
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.5263237953186035,
"b": 3.5263237953186035,
"c": 4.422520160675049,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | ErPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337682 | [
"B",
"Ta"
] | [
73,
5
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 2.7493910789489746,
"b": 2.7493910789489746,
"c": 3.180401086807251,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | TaB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337700 | [
"Yb",
"Lu"
] | [
70,
71
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.5212090015411377,
"b": 3.5212090015411377,
"c": 5.286336898803711,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | YbLu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337717 | [
"In",
"Np"
] | [
93,
49
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.1421010494232178,
"b": 3.1421010494232178,
"c": 4.915328025817871,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | NpIn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337738 | [
"Cd",
"Pb"
] | [
48,
82
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.3736348152160645,
"b": 3.3736348152160645,
"c": 4.752266883850098,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | CdPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_y3zO-IAbGHy6OgmMxNc_MaXmcElQ | [
"Dy",
"Tl"
] | [
66,
81
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.5027999877929688,
"b": 3.5027999877929688,
"c": 4.351336479187012,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | DyTl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337785 | [
"Ag",
"Hf"
] | [
72,
47
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.0172815322875977,
"b": 3.0172815322875977,
"c": 4.262679100036621,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | HfAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337812 | [
"Ag",
"W"
] | [
47,
74
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.723173141479492,
"b": 2.723173141479492,
"c": 4.396091938018799,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | AgW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Yjeh3N18y7xC91WY0QUuSjsO0kGe | [
"Ga",
"Pt"
] | [
31,
78
] | 2 | 2 | [
[
0,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.0126466751098633,
"b": 3.0126466751098633,
"c": 3.378812313079834,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | GaPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337858 | [
"Nd",
"Sm"
] | [
60,
62
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.5817832946777344,
"b": 3.5817832946777344,
"c": 5.263171195983887,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | NdSm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337875 | [
"Zr",
"Cd"
] | [
40,
48
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.121438980102539,
"b": 3.121438980102539,
"c": 4.412515163421631,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | ZrCd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337901 | [
"F",
"Cl"
] | [
17,
9
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.620621919631958,
"b": 2.620621919631958,
"c": 3.6466898918151855,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | ClF | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:NOMAD_45Sfj69HkyXkbppVAAt_ssN-ZXDb | [
"Pr",
"Er"
] | [
59,
68
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.5989890098571777,
"b": 3.5989890098571777,
"c": 5.087588310241699,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | PrEr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337960 | [
"Sb",
"Sm"
] | [
62,
51
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 4.070802211761475,
"b": 4.070802211761475,
"c": 3.3826029300689697,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | SmSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_337987 | [
"Tc",
"Eu"
] | [
63,
43
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.729461193084717,
"b": 2.729461193084717,
"c": 5.072023868560791,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | EuTc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_zryYD2TCvka3OFRM4qOGL2MSbZWL | [
"Al",
"Cl"
] | [
13,
17
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
]
] | {
"a": 3.7576611042022705,
"b": 3.7576611042022705,
"c": 2.977632522583008,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | AlCl | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_338050 | [
"Na",
"Y"
] | [
11,
39
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.3219282627105713,
"b": 3.3219282627105713,
"c": 5.770862102508545,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | NaY | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_338079 | [
"Sr",
"Sn"
] | [
38,
50
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.6584460735321045,
"b": 3.6584460735321045,
"c": 4.788054943084717,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | SrSn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_338110 | [
"Na",
"Re"
] | [
11,
75
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.562342882156372,
"b": 2.562342882156372,
"c": 5.253005027770996,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | NaRe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_338132 | [
"Ti",
"Pa"
] | [
91,
22
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.016664981842041,
"b": 3.016664981842041,
"c": 4.664629936218262,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 123 | PaTi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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