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_J9yd0lcgUtJR4fuMah6ebP0msrP7 | [
"Li",
"Sm"
] | [
3,
3,
3,
62
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.52800989151001,
"b": 4.52800989151001,
"c": 4.52800989151001,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Li3Sm | general_inorganic | true | 3 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:NOMAD_nwEGnozaeT2ozmvtIST11tdtvBa_ | [
"N",
"Tb"
] | [
65,
7,
7,
7
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.4839649200439453,
"b": 3.4839649200439453,
"c": 3.4839649200439453,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TbN3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_pnwv-3v5phDXKLLBJ0TjUwlI-oo1 | [
"Fe",
"Tb"
] | [
65,
26,
26,
26
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.9339704513549805,
"b": 3.9339704513549805,
"c": 3.9339704513549805,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TbFe3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_345801 | [
"Nb",
"Re"
] | [
41,
75,
75,
75
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.975558042526245,
"b": 3.975558042526245,
"c": 3.975558042526245,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | NbRe3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_345836 | [
"Hg",
"U"
] | [
92,
80,
80,
80
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.681460857391357,
"b": 4.681460857391357,
"c": 4.681460857391357,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | UHg3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_345868 | [
"N",
"Hf"
] | [
72,
72,
72,
7
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.132339000701904,
"b": 4.132339000701904,
"c": 4.132339000701904,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Hf3N | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_345902 | [
"Nb",
"Dy"
] | [
66,
41,
41,
41
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.368161201477051,
"b": 4.368161201477051,
"c": 4.368161201477051,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyNb3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_345917 | [
"Tc",
"Rh"
] | [
43,
43,
43,
45
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.834355115890503,
"b": 3.834355115890503,
"c": 3.834355115890503,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tc3Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_345965 | [
"Mo",
"Cs"
] | [
55,
55,
55,
42
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 6.472424030303955,
"b": 6.472424030303955,
"c": 6.472424030303955,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Cs3Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_345978 | [
"Mn",
"As"
] | [
25,
33,
33,
33
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.171611785888672,
"b": 4.171611785888672,
"c": 4.171611785888672,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | MnAs3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346008 | [
"Os",
"Pa"
] | [
91,
76,
76,
76
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.075169086456299,
"b": 4.075169086456299,
"c": 4.075169086456299,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | PaOs3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346024 | [
"S",
"Lu"
] | [
71,
71,
71,
16
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.573002815246582,
"b": 4.573002815246582,
"c": 4.573002815246582,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Lu3S | general_inorganic | false | null | null | null | null | null | [
"sulfide"
] | external_cif_tar |
tar:NOMAD_gPJyOulD4Vo8l-2dT4vBXlmLkGZf | [
"Mg",
"Pu"
] | [
94,
94,
94,
12
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.7070207595825195,
"b": 4.7070207595825195,
"c": 4.7070207595825195,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Pu3Mg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346056 | [
"C",
"P"
] | [
15,
6,
6,
6
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.2434349060058594,
"b": 3.2434349060058594,
"c": 3.2434349060058594,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | PC3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_71BpIr3fZIeR2Os94YSVHpta1eft | [
"Co",
"Yb"
] | [
70,
70,
70,
27
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.665457248687744,
"b": 4.665457248687744,
"c": 4.665457248687744,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Yb3Co | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346091 | [
"B",
"Er"
] | [
68,
5,
5,
5
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.5428059101104736,
"b": 3.5428059101104736,
"c": 3.5428059101104736,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ErB3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_7LoWZNP7br3DCDR15EVj2lMeupmK | [
"Mg",
"Ru"
] | [
12,
12,
12,
44
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.127246856689453,
"b": 4.127246856689453,
"c": 4.127246856689453,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Mg3Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346141 | [
"Gd",
"Os"
] | [
64,
76,
76,
76
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.062352180480957,
"b": 4.062352180480957,
"c": 4.062352180480957,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | GdOs3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346156 | [
"Co",
"Ho"
] | [
67,
27,
27,
27
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.8338510990142822,
"b": 3.8338510990142822,
"c": 3.8338510990142822,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HoCo3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346168 | [
"Rh",
"Er"
] | [
68,
68,
68,
45
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.577757835388184,
"b": 4.577757835388184,
"c": 4.577757835388184,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Er3Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346200 | [
"Ba",
"Ta"
] | [
56,
56,
56,
73
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.534770965576172,
"b": 5.534770965576172,
"c": 5.534770965576172,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ba3Ta | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346234 | [
"Rb",
"Ho"
] | [
37,
67,
67,
67
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.262144088745117,
"b": 5.262144088745117,
"c": 5.262144088745117,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | RbHo3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346249 | [
"Si",
"Cr"
] | [
24,
14,
14,
14
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.7776272296905518,
"b": 3.7776272296905518,
"c": 3.7776272296905518,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CrSi3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346266 | [
"S",
"Ag"
] | [
47,
16,
16,
16
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.130180835723877,
"b": 4.130180835723877,
"c": 4.130180835723877,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | AgS3 | general_inorganic | false | null | null | null | null | null | [
"sulfide"
] | external_cif_tar |
tar:OQMD_346283 | [
"O",
"V"
] | [
23,
23,
23,
8
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.9924590587615967,
"b": 3.9924590587615967,
"c": 3.9924590587615967,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | V3O | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:NOMAD_8n8BwTRpnTHIvI64OJTCQmIKlHF6 | [
"Ca",
"Pr"
] | [
20,
59,
59,
59
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.256673336029053,
"b": 5.256673336029053,
"c": 5.256673336029053,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CaPr3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Q1LY1Udhdb_M0gQKxYSNFxK4VU5Q | [
"Sr",
"U"
] | [
38,
92,
92,
92
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.597355842590332,
"b": 4.597355842590332,
"c": 4.597355842590332,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SrU3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_hG9KfBlVC4v5CGI8cIcl5A91jj_g | [
"Ge",
"Br"
] | [
32,
35,
35,
35
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.692019462585449,
"b": 4.692019462585449,
"c": 4.692019462585449,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | GeBr3 | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_346348 | [
"Ge",
"La"
] | [
57,
57,
57,
32
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.8829665184021,
"b": 4.8829665184021,
"c": 4.8829665184021,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | La3Ge | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346361 | [
"Sr",
"Nb"
] | [
38,
41,
41,
41
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.441603183746338,
"b": 4.441603183746338,
"c": 4.441603183746338,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SrNb3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346379 | [
"Ce",
"W"
] | [
58,
74,
74,
74
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.297634124755859,
"b": 4.297634124755859,
"c": 4.297634124755859,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CeW3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346393 | [
"Na",
"Cl"
] | [
11,
11,
11,
17
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.695897102355957,
"b": 4.695897102355957,
"c": 4.695897102355957,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Na3Cl | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_346410 | [
"Re",
"Pt"
] | [
75,
75,
75,
78
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.886312961578369,
"b": 3.886312961578369,
"c": 3.886312961578369,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Re3Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD__wK8Ov4dFH1jEUmeZekYYWm_HCqA | [
"N",
"O"
] | [
7,
7,
7,
8
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.0887036323547363,
"b": 3.0887036323547363,
"c": 3.0887036323547363,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | N3O | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:NOMAD_r0ZT_bRO6wQRbb0S-eqReE2IfzhE | [
"Be",
"O"
] | [
4,
4,
4,
8
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.218677043914795,
"b": 3.218677043914795,
"c": 3.218677043914795,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Be3O | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_346451 | [
"Rh",
"I"
] | [
45,
53,
53,
53
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.90490198135376,
"b": 4.90490198135376,
"c": 4.90490198135376,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | RhI3 | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_346470 | [
"Be",
"Pd"
] | [
4,
4,
4,
46
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.3831090927124023,
"b": 3.3831090927124023,
"c": 3.3831090927124023,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Be3Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_XEofegHeatYwt5TCNWLH-accXBrc | [
"S",
"Lu"
] | [
71,
16,
16,
16
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.1553144454956055,
"b": 4.1553144454956055,
"c": 4.1553144454956055,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | LuS3 | general_inorganic | false | null | null | null | null | null | [
"sulfide"
] | external_cif_tar |
tar:NOMAD_b76BDYq01gGICTGOA8NJizU1qSbo | [
"H",
"Zn"
] | [
30,
30,
30,
1
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.7671234607696533,
"b": 3.7671234607696533,
"c": 3.7671234607696533,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Zn3H | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346513 | [
"Ru",
"Eu"
] | [
63,
44,
44,
44
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.02671480178833,
"b": 4.02671480178833,
"c": 4.02671480178833,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | EuRu3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346530 | [
"Mo",
"Ac"
] | [
89,
89,
89,
42
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.157904148101807,
"b": 5.157904148101807,
"c": 5.157904148101807,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ac3Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346556 | [
"Cd",
"Pb"
] | [
48,
82,
82,
82
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.860468864440918,
"b": 4.860468864440918,
"c": 4.860468864440918,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CdPb3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346572 | [
"P",
"Ni"
] | [
28,
15,
15,
15
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.7663919925689697,
"b": 3.7663919925689697,
"c": 3.7663919925689697,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | NiP3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346597 | [
"Yb",
"U"
] | [
70,
70,
70,
92
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.194768905639648,
"b": 5.194768905639648,
"c": 5.194768905639648,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Yb3U | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346613 | [
"Ru",
"Yb"
] | [
70,
44,
44,
44
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.9859349727630615,
"b": 3.9859349727630615,
"c": 3.9859349727630615,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | YbRu3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_yxpFJh0Rjevqvg2pCp1Pui1aQyO5 | [
"Al",
"Ir"
] | [
13,
77,
77,
77
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.861290216445923,
"b": 3.861290216445923,
"c": 3.861290216445923,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | AlIr3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346640 | [
"Na",
"Sr"
] | [
11,
38,
38,
38
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.808193206787109,
"b": 5.808193206787109,
"c": 5.808193206787109,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | NaSr3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346654 | [
"Tl",
"Pb"
] | [
81,
82,
82,
82
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.821853160858154,
"b": 4.821853160858154,
"c": 4.821853160858154,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TlPb3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346668 | [
"Tb",
"Ac"
] | [
89,
89,
89,
65
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.475697994232178,
"b": 5.475697994232178,
"c": 5.475697994232178,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ac3Tb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_xmpVA66k1Pyd6bo_WmxH5M7a3d0k | [
"Ni",
"Ba"
] | [
56,
56,
56,
28
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.84562873840332,
"b": 5.84562873840332,
"c": 5.84562873840332,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ba3Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346701 | [
"Ag",
"W"
] | [
47,
74,
74,
74
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.00567102432251,
"b": 4.00567102432251,
"c": 4.00567102432251,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | AgW3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346717 | [
"B",
"Sm"
] | [
62,
5,
5,
5
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.706486940383911,
"b": 3.706486940383911,
"c": 3.706486940383911,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SmB3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_eD2hgK9D5UvlAFLnPlQAmcdF3noz | [
"Si",
"As"
] | [
14,
14,
14,
33
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.015512943267822,
"b": 4.015512943267822,
"c": 4.015512943267822,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Si3As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346743 | [
"Ti",
"Sb"
] | [
22,
22,
22,
51
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.13751220703125,
"b": 4.13751220703125,
"c": 4.13751220703125,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ti3Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346763 | [
"I",
"Yb"
] | [
70,
70,
70,
53
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.29185676574707,
"b": 5.29185676574707,
"c": 5.29185676574707,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Yb3I | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:NOMAD_TbUIBpQg9W2bckp6T_bVTcS8ejtT | [
"Al",
"Tc"
] | [
13,
43,
43,
43
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.876222610473633,
"b": 3.876222610473633,
"c": 3.876222610473633,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | AlTc3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346800 | [
"Hg",
"Th"
] | [
90,
80,
80,
80
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.71435022354126,
"b": 4.71435022354126,
"c": 4.71435022354126,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ThHg3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346815 | [
"Ga",
"I"
] | [
31,
53,
53,
53
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.211592197418213,
"b": 5.211592197418213,
"c": 5.211592197418213,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | GaI3 | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_346833 | [
"Os",
"Hg"
] | [
80,
80,
80,
76
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.238790988922119,
"b": 4.238790988922119,
"c": 4.238790988922119,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Hg3Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346851 | [
"Sc",
"Tl"
] | [
21,
21,
21,
81
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.514554500579834,
"b": 4.514554500579834,
"c": 4.514554500579834,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sc3Tl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346865 | [
"O",
"Ca"
] | [
20,
8,
8,
8
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.437700033187866,
"b": 3.437700033187866,
"c": 3.437700033187866,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CaO3 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_346883 | [
"Rb",
"Ag"
] | [
37,
47,
47,
47
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.604938983917236,
"b": 4.604938983917236,
"c": 4.604938983917236,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | RbAg3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_1W_O71OI_Bb6ne9vnioakq7VjBG1 | [
"Al",
"Cs"
] | [
55,
13,
13,
13
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.809369087219238,
"b": 4.809369087219238,
"c": 4.809369087219238,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CsAl3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346911 | [
"P",
"Dy"
] | [
66,
15,
15,
15
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.1320109367370605,
"b": 4.1320109367370605,
"c": 4.1320109367370605,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyP3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346927 | [
"Zr",
"Te"
] | [
40,
40,
40,
52
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.449217796325684,
"b": 4.449217796325684,
"c": 4.449217796325684,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Zr3Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346941 | [
"Fe",
"Ho"
] | [
67,
67,
67,
26
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.655497074127197,
"b": 4.655497074127197,
"c": 4.655497074127197,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ho3Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_346957 | [
"F",
"Tl"
] | [
81,
81,
81,
9
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.649756908416748,
"b": 4.649756908416748,
"c": 4.649756908416748,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tl3F | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_346976 | [
"Tm",
"U"
] | [
69,
69,
69,
92
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.841821193695068,
"b": 4.841821193695068,
"c": 4.841821193695068,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tm3U | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_MTb2qJ_hAi5E4NwPIxRSWjAb-6BO | [
"H",
"Rh"
] | [
1,
1,
1,
45
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 2.8246655464172363,
"b": 2.8246655464172363,
"c": 2.8246655464172363,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | H3Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_347013 | [
"B",
"N"
] | [
5,
5,
5,
7
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 2.981204032897949,
"b": 2.981204032897949,
"c": 2.981204032897949,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | B3N | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_BYr1-ZWGKRqbpxyzRhkLt8Ty1lx9 | [
"Nb",
"Mo"
] | [
41,
41,
41,
42
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.160048007965088,
"b": 4.160048007965088,
"c": 4.160048007965088,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Nb3Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_oixMETjbilqRzBWnhCzQ_W525Sea | [
"Sr",
"Lu"
] | [
38,
71,
71,
71
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.105481147766113,
"b": 5.105481147766113,
"c": 5.105481147766113,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SrLu3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_347062 | [
"Ru",
"Te"
] | [
52,
52,
52,
44
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.539743900299072,
"b": 4.539743900299072,
"c": 4.539743900299072,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Te3Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_347079 | [
"Ce",
"Dy"
] | [
58,
66,
66,
66
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.078688144683838,
"b": 5.078688144683838,
"c": 5.078688144683838,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CeDy3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_347095 | [
"Ge",
"Au"
] | [
32,
79,
79,
79
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.187469005584717,
"b": 4.187469005584717,
"c": 4.187469005584717,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | GeAu3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_IxrFaw_Z_eJDTqb9_zUWoAawUiRp | [
"Be",
"Ho"
] | [
67,
4,
4,
4
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.929842472076416,
"b": 3.929842472076416,
"c": 3.929842472076416,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HoBe3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_2yU3LAlkrvLov4GOnQUMW3WyA4-h | [
"Ca",
"Lu"
] | [
20,
71,
71,
71
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.998631477355957,
"b": 4.998631477355957,
"c": 4.998631477355957,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CaLu3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_347146 | [
"F",
"Sm"
] | [
62,
62,
62,
9
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.703813076019287,
"b": 4.703813076019287,
"c": 4.703813076019287,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sm3F | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:NOMAD_fQsJo1IvUgqtRxSlETchGqEhwBH9 | [
"Ba",
"Pm"
] | [
56,
61,
61,
61
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.338285446166992,
"b": 5.338285446166992,
"c": 5.338285446166992,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | BaPm3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Zn60DTPkjwvlHAoJd5nIqKJnpHSY | [
"Ag",
"U"
] | [
92,
92,
92,
47
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.369289875030518,
"b": 4.369289875030518,
"c": 4.369289875030518,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | U3Ag | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_347227 | [
"Mo",
"Pm"
] | [
61,
61,
61,
42
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.772404193878174,
"b": 4.772404193878174,
"c": 4.772404193878174,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Pm3Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_347244 | [
"N",
"Gd"
] | [
64,
64,
64,
7
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.399113178253174,
"b": 4.399113178253174,
"c": 4.399113178253174,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Gd3N | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_m_zUP-RJ-x2JrYj7oDxwC2xMRfvY | [
"Mn",
"Th"
] | [
90,
25,
25,
25
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.091067790985107,
"b": 4.091067790985107,
"c": 4.091067790985107,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ThMn3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_O6DIE7ii1yrpkpOBDs0zjdQ3qkRF | [
"P",
"Nb"
] | [
41,
41,
41,
15
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.025069713592529,
"b": 4.025069713592529,
"c": 4.025069713592529,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Nb3P | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_347290 | [
"As",
"Lu"
] | [
71,
33,
33,
33
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.315514087677002,
"b": 4.315514087677002,
"c": 4.315514087677002,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | LuAs3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_BLdxzigDV5JLgQYKGZPkmZY0JS4M | [
"O",
"Te"
] | [
52,
8,
8,
8
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.420456647872925,
"b": 3.420456647872925,
"c": 3.420456647872925,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TeO3 | general_inorganic | false | null | null | null | null | null | [
"oxide"
] | external_cif_tar |
tar:OQMD_347320 | [
"Se",
"Ta"
] | [
73,
73,
73,
34
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.143557071685791,
"b": 4.143557071685791,
"c": 4.143557071685791,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ta3Se | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_347333 | [
"Al",
"Ba"
] | [
56,
56,
56,
13
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.596333026885986,
"b": 5.596333026885986,
"c": 5.596333026885986,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ba3Al | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_347347 | [
"Te",
"Er"
] | [
68,
52,
52,
52
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.8478522300720215,
"b": 4.8478522300720215,
"c": 4.8478522300720215,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ErTe3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_a9pmZnxJ9s_H4x4DShdV9uOGAsS3 | [
"Nb",
"Os"
] | [
41,
41,
41,
76
] | 4 | 2 | [
[
0,
0,
0.5
],
[
0.5,
0,
0
],
[
0,
0.5,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.103549957275391,
"b": 4.103549957275391,
"c": 4.103549957275391,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Nb3Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_347371 | [
"Eu",
"Lu"
] | [
63,
63,
63,
71
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.350512981414795,
"b": 5.350512981414795,
"c": 5.350512981414795,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Eu3Lu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_kI081v-ymTyWdAmEaM7b1oCN0U6E | [
"F",
"Rh"
] | [
45,
45,
45,
9
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.7822866439819336,
"b": 3.7822866439819336,
"c": 3.7822866439819336,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Rh3F | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_347421 | [
"Fe",
"Rh"
] | [
26,
45,
45,
45
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.801872968673706,
"b": 3.801872968673706,
"c": 3.801872968673706,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | FeRh3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_347434 | [
"Cs",
"Eu"
] | [
55,
55,
55,
63
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 7.139470100402832,
"b": 7.139470100402832,
"c": 7.139470100402832,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Cs3Eu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_347448 | [
"C",
"Hf"
] | [
72,
6,
6,
6
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.3592309951782227,
"b": 3.3592309951782227,
"c": 3.3592309951782227,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HfC3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_347482 | [
"Ni",
"Y"
] | [
39,
28,
28,
28
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.8561439514160156,
"b": 3.8561439514160156,
"c": 3.8561439514160156,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | YNi3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_GNHRmqM0Kx-qcx9ACaIay_qIUL3- | [
"I",
"Tb"
] | [
65,
65,
65,
53
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.900437831878662,
"b": 4.900437831878662,
"c": 4.900437831878662,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tb3I | general_inorganic | false | null | null | null | null | null | [
"halide"
] | external_cif_tar |
tar:OQMD_347515 | [
"Os",
"Pt"
] | [
76,
78,
78,
78
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.8956100940704346,
"b": 3.8956100940704346,
"c": 3.8956100940704346,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | OsPt3 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_347545 | [
"Tm",
"Lu"
] | [
69,
69,
69,
71
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.892919063568115,
"b": 4.892919063568115,
"c": 4.892919063568115,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Tm3Lu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_347560 | [
"N",
"Rh"
] | [
45,
45,
45,
7
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.7227139472961426,
"b": 3.7227139472961426,
"c": 3.7227139472961426,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Rh3N | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.