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_516158 | [
"Mg",
"Tc",
"Au"
] | [
12,
12,
12,
12,
43,
43,
43,
43,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.4062018394470215,
"b": 6.4062018394470215,
"c": 6.4062018394470215,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MgTcAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_PzPLjjpoCBvKvanzbZQ_ZH8EYAyz | [
"Au",
"Tl",
"Th"
] | [
90,
90,
90,
90,
81,
81,
81,
81,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.203439235687256,
"b": 7.203439235687256,
"c": 7.203439235687256,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ThTlAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516221 | [
"Er",
"Au",
"Pb"
] | [
68,
68,
68,
68,
82,
82,
82,
82,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.022640228271484,
"b": 7.022640228271484,
"c": 7.022640228271484,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ErPbAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516234 | [
"Ga",
"Au",
"Hg"
] | [
31,
31,
31,
31,
80,
80,
80,
80,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.763656139373779,
"b": 6.763656139373779,
"c": 6.763656139373779,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | GaHgAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516248 | [
"Tm",
"Au",
"Pa"
] | [
69,
69,
69,
69,
91,
91,
91,
91,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.175044059753418,
"b": 7.175044059753418,
"c": 7.175044059753418,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TmPaAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_mZh6CQ5oqGP4T4e9eRS7fbTrTjO6 | [
"Fe",
"Au",
"Np"
] | [
93,
93,
93,
93,
26,
26,
26,
26,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.638881206512451,
"b": 6.638881206512451,
"c": 6.638881206512451,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NpFeAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_hgJExHanWnURE75htTYwVkwOiQoC | [
"Dy",
"Au",
"Bi"
] | [
66,
66,
66,
66,
83,
83,
83,
83,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.137079238891602,
"b": 7.137079238891602,
"c": 7.137079238891602,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | DyBiAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516318 | [
"In",
"Sn",
"Au"
] | [
49,
49,
49,
49,
50,
50,
50,
50,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.926747798919678,
"b": 6.926747798919678,
"c": 6.926747798919678,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | InSnAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516329 | [
"Sc",
"Zr",
"Au"
] | [
40,
40,
40,
40,
21,
21,
21,
21,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.734714031219482,
"b": 6.734714031219482,
"c": 6.734714031219482,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ZrScAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516341 | [
"Tc",
"Au",
"Pb"
] | [
43,
43,
43,
43,
82,
82,
82,
82,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.682923793792725,
"b": 6.682923793792725,
"c": 6.682923793792725,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TcPbAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516355 | [
"Al",
"Tc",
"Au"
] | [
13,
13,
13,
13,
43,
43,
43,
43,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.368375778198242,
"b": 6.368375778198242,
"c": 6.368375778198242,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AlTcAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ww9b_WMRci-oFq4puJm4zyYEALOr | [
"As",
"Pd",
"Au"
] | [
33,
33,
33,
33,
46,
46,
46,
46,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.499447822570801,
"b": 6.499447822570801,
"c": 6.499447822570801,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AsPdAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516402 | [
"Sr",
"Rh",
"Au"
] | [
38,
38,
38,
38,
45,
45,
45,
45,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.898640155792236,
"b": 6.898640155792236,
"c": 6.898640155792236,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrRhAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516416 | [
"Ni",
"Au",
"Tl"
] | [
81,
81,
81,
81,
28,
28,
28,
28,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.565162181854248,
"b": 6.565162181854248,
"c": 6.565162181854248,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TlNiAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516429 | [
"Be",
"Ga",
"Au"
] | [
4,
4,
4,
4,
31,
31,
31,
31,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.244952201843262,
"b": 6.244952201843262,
"c": 6.244952201843262,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BeGaAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516443 | [
"V",
"Ga",
"Au"
] | [
23,
23,
23,
23,
31,
31,
31,
31,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.438000202178955,
"b": 6.438000202178955,
"c": 6.438000202178955,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | VGaAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516459 | [
"Na",
"Cr",
"Au"
] | [
11,
11,
11,
11,
24,
24,
24,
24,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.625433921813965,
"b": 6.625433921813965,
"c": 6.625433921813965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaCrAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_nxUeY_0F_uQIATpehNM6ghn_M57Q | [
"Fe",
"Lu",
"Au"
] | [
71,
71,
71,
71,
26,
26,
26,
26,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.608325004577637,
"b": 6.608325004577637,
"c": 6.608325004577637,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LuFeAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516490 | [
"Ca",
"Mn",
"Au"
] | [
20,
20,
20,
20,
25,
25,
25,
25,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.8567681312561035,
"b": 6.8567681312561035,
"c": 6.8567681312561035,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaMnAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_f_e6idQ9xV-hiiuOmyU9lqyLMHMA | [
"Ge",
"Yb",
"Au"
] | [
70,
70,
70,
70,
32,
32,
32,
32,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.851377487182617,
"b": 6.851377487182617,
"c": 6.851377487182617,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbGeAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516519 | [
"Sr",
"Sn",
"Au"
] | [
38,
38,
38,
38,
50,
50,
50,
50,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.249802112579346,
"b": 7.249802112579346,
"c": 7.249802112579346,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrSnAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516535 | [
"Pm",
"Os",
"Au"
] | [
61,
61,
61,
61,
76,
76,
76,
76,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.750979900360107,
"b": 6.750979900360107,
"c": 6.750979900360107,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PmOsAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516549 | [
"Zr",
"La",
"Au"
] | [
57,
57,
57,
57,
40,
40,
40,
40,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.12428617477417,
"b": 7.12428617477417,
"c": 7.12428617477417,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaZrAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516564 | [
"Ti",
"Au",
"Pa"
] | [
91,
91,
91,
91,
22,
22,
22,
22,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.924952030181885,
"b": 6.924952030181885,
"c": 6.924952030181885,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PaTiAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516580 | [
"B",
"Ga",
"Au"
] | [
31,
31,
31,
31,
5,
5,
5,
5,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.273159980773926,
"b": 6.273159980773926,
"c": 6.273159980773926,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | GaBAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516594 | [
"Ca",
"Rh",
"Au"
] | [
20,
20,
20,
20,
45,
45,
45,
45,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.671286106109619,
"b": 6.671286106109619,
"c": 6.671286106109619,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaRhAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516607 | [
"Mn",
"Pt",
"Au"
] | [
25,
25,
25,
25,
78,
78,
78,
78,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.348194122314453,
"b": 6.348194122314453,
"c": 6.348194122314453,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MnPtAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516620 | [
"Yb",
"Pt",
"Au"
] | [
70,
70,
70,
70,
78,
78,
78,
78,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.647727966308594,
"b": 6.647727966308594,
"c": 6.647727966308594,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbPtAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516651 | [
"Cu",
"Yb",
"Au"
] | [
70,
70,
70,
70,
29,
29,
29,
29,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.684986114501953,
"b": 6.684986114501953,
"c": 6.684986114501953,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbCuAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_uQl1vO6wslaCS41KmJw3IrmI2Y2x | [
"Rh",
"Au",
"U"
] | [
92,
92,
92,
92,
45,
45,
45,
45,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.7422308921813965,
"b": 6.7422308921813965,
"c": 6.7422308921813965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | URhAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516696 | [
"Ti",
"Os",
"Au"
] | [
22,
22,
22,
22,
76,
76,
76,
76,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.342400074005127,
"b": 6.342400074005127,
"c": 6.342400074005127,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TiOsAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516711 | [
"Fe",
"Zr",
"Au"
] | [
40,
40,
40,
40,
26,
26,
26,
26,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.514999866485596,
"b": 6.514999866485596,
"c": 6.514999866485596,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ZrFeAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516741 | [
"Fe",
"In",
"Au"
] | [
49,
49,
49,
49,
26,
26,
26,
26,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.553023815155029,
"b": 6.553023815155029,
"c": 6.553023815155029,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | InFeAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_GRJSPSo4A2q9TB5waZoEzJbaLR_f | [
"Mo",
"Cs",
"Au"
] | [
55,
55,
55,
55,
42,
42,
42,
42,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.26606559753418,
"b": 7.26606559753418,
"c": 7.26606559753418,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsMoAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516777 | [
"Ru",
"Au",
"Pb"
] | [
44,
44,
44,
44,
82,
82,
82,
82,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.663547992706299,
"b": 6.663547992706299,
"c": 6.663547992706299,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RuPbAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516793 | [
"Ni",
"Y",
"Au"
] | [
39,
39,
39,
39,
28,
28,
28,
28,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.713250160217285,
"b": 6.713250160217285,
"c": 6.713250160217285,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YNiAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516808 | [
"K",
"Sm",
"Au"
] | [
19,
19,
19,
19,
62,
62,
62,
62,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.440845966339111,
"b": 7.440845966339111,
"c": 7.440845966339111,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KSmAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516821 | [
"Y",
"Lu",
"Au"
] | [
39,
39,
39,
39,
71,
71,
71,
71,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.05075216293335,
"b": 7.05075216293335,
"c": 7.05075216293335,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YLuAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516836 | [
"Nb",
"In",
"Au"
] | [
41,
41,
41,
41,
49,
49,
49,
49,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.669680118560791,
"b": 6.669680118560791,
"c": 6.669680118560791,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NbInAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_euZkY15ECpf5AUqCKXugOOSmT98F | [
"Tb",
"Au",
"Hg"
] | [
65,
65,
65,
65,
80,
80,
80,
80,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.891763687133789,
"b": 6.891763687133789,
"c": 6.891763687133789,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbHgAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516864 | [
"Sb",
"Au",
"Hg"
] | [
80,
80,
80,
80,
51,
51,
51,
51,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.892467975616455,
"b": 6.892467975616455,
"c": 6.892467975616455,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | HgSbAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516882 | [
"Rh",
"W",
"Au"
] | [
45,
45,
45,
45,
74,
74,
74,
74,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.312908172607422,
"b": 6.312908172607422,
"c": 6.312908172607422,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RhWAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_9T1u9ALk0k65l7CFYHTeu1Fm5zNK | [
"Er",
"Re",
"Au"
] | [
68,
68,
68,
68,
75,
75,
75,
75,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.66898775100708,
"b": 6.66898775100708,
"c": 6.66898775100708,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ErReAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516914 | [
"Ir",
"Au",
"Hg"
] | [
80,
80,
80,
80,
77,
77,
77,
77,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.500946044921875,
"b": 6.500946044921875,
"c": 6.500946044921875,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | HgIrAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_FqcqpEr8EwGkAoabTL8cX_vjjEhD | [
"Ce",
"Tb",
"Au"
] | [
65,
65,
65,
65,
58,
58,
58,
58,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.275791168212891,
"b": 7.275791168212891,
"c": 7.275791168212891,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbCeAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516942 | [
"Fe",
"As",
"Au"
] | [
26,
26,
26,
26,
33,
33,
33,
33,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.465273857116699,
"b": 6.465273857116699,
"c": 6.465273857116699,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | FeAsAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516957 | [
"Cr",
"Ce",
"Au"
] | [
58,
58,
58,
58,
24,
24,
24,
24,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.912774085998535,
"b": 6.912774085998535,
"c": 6.912774085998535,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CeCrAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516970 | [
"Cu",
"Mo",
"Au"
] | [
29,
29,
29,
29,
42,
42,
42,
42,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.362552165985107,
"b": 6.362552165985107,
"c": 6.362552165985107,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CuMoAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_U2UTBj3t1gN_Q6h2cYpc4imSwwSF | [
"Sm",
"Er",
"Au"
] | [
62,
62,
62,
62,
68,
68,
68,
68,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.145909786224365,
"b": 7.145909786224365,
"c": 7.145909786224365,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmErAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517021 | [
"Pt",
"Au",
"U"
] | [
92,
92,
92,
92,
78,
78,
78,
78,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.77266788482666,
"b": 6.77266788482666,
"c": 6.77266788482666,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | UPtAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_uwM4RB0Q2XPfXSbeHRYursKECG_y | [
"Ba",
"Er",
"Au"
] | [
56,
56,
56,
56,
68,
68,
68,
68,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.499101161956787,
"b": 7.499101161956787,
"c": 7.499101161956787,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaErAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517080 | [
"Ni",
"Mo",
"Au"
] | [
28,
28,
28,
28,
42,
42,
42,
42,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.315038204193115,
"b": 6.315038204193115,
"c": 6.315038204193115,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NiMoAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517094 | [
"Mn",
"Hf",
"Au"
] | [
72,
72,
72,
72,
25,
25,
25,
25,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.594937801361084,
"b": 6.594937801361084,
"c": 6.594937801361084,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | HfMnAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517111 | [
"Ge",
"Pd",
"Au"
] | [
32,
32,
32,
32,
46,
46,
46,
46,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.542716026306152,
"b": 6.542716026306152,
"c": 6.542716026306152,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | GePdAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517142 | [
"Na",
"Cs",
"Au"
] | [
55,
55,
55,
55,
11,
11,
11,
11,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 8.0274658203125,
"b": 8.0274658203125,
"c": 8.0274658203125,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsNaAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_D9HYH0f05yeXP_eJ7qEFtmtHHniK | [
"Rb",
"Au",
"Np"
] | [
37,
37,
37,
37,
93,
93,
93,
93,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.632447719573975,
"b": 7.632447719573975,
"c": 7.632447719573975,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbNpAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517172 | [
"Mn",
"Er",
"Au"
] | [
68,
68,
68,
68,
25,
25,
25,
25,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.7906341552734375,
"b": 6.7906341552734375,
"c": 6.7906341552734375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ErMnAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517186 | [
"Ti",
"Hf",
"Au"
] | [
72,
72,
72,
72,
22,
22,
22,
22,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.589791774749756,
"b": 6.589791774749756,
"c": 6.589791774749756,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | HfTiAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517199 | [
"Ni",
"Ba",
"Au"
] | [
56,
56,
56,
56,
28,
28,
28,
28,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.2845778465271,
"b": 7.2845778465271,
"c": 7.2845778465271,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaNiAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_BWgyTG5RTNMunugSBGRheztVAHbu | [
"Au",
"Hg",
"Np"
] | [
93,
93,
93,
93,
80,
80,
80,
80,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.96870756149292,
"b": 6.96870756149292,
"c": 6.96870756149292,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NpHgAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517233 | [
"Fe",
"Au",
"Pu"
] | [
94,
94,
94,
94,
26,
26,
26,
26,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.624966144561768,
"b": 6.624966144561768,
"c": 6.624966144561768,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PuFeAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_7leAecVVUfRyZ3NTeYhlYzSdFLKm | [
"K",
"V",
"Au"
] | [
19,
19,
19,
19,
23,
23,
23,
23,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.9346022605896,
"b": 6.9346022605896,
"c": 6.9346022605896,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KVAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_xa6oyalhWQF8OIu4s5xMA1ZjnZS7 | [
"Cr",
"Yb",
"Au"
] | [
70,
70,
70,
70,
24,
24,
24,
24,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.692121505737305,
"b": 6.692121505737305,
"c": 6.692121505737305,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbCrAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_owvxE8KHWhjc5uMIGe3bKeHJKoYZ | [
"Al",
"Ce",
"Au"
] | [
58,
58,
58,
58,
13,
13,
13,
13,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.015557289123535,
"b": 7.015557289123535,
"c": 7.015557289123535,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CeAlAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517318 | [
"Mg",
"Ti",
"Au"
] | [
12,
12,
12,
12,
22,
22,
22,
22,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.459877967834473,
"b": 6.459877967834473,
"c": 6.459877967834473,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MgTiAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517335 | [
"Be",
"Mn",
"Au"
] | [
25,
25,
25,
25,
4,
4,
4,
4,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.170914173126221,
"b": 6.170914173126221,
"c": 6.170914173126221,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MnBeAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517350 | [
"K",
"Au",
"Ac"
] | [
19,
19,
19,
19,
89,
89,
89,
89,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.749291896820068,
"b": 7.749291896820068,
"c": 7.749291896820068,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KAcAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_4pPYP6ujOwpE7CTIlAcBPoUtRNSa | [
"Ce",
"Eu",
"Au"
] | [
58,
58,
58,
58,
63,
63,
63,
63,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.3617753982543945,
"b": 7.3617753982543945,
"c": 7.3617753982543945,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CeEuAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517380 | [
"Li",
"Si",
"Au"
] | [
3,
3,
3,
3,
14,
14,
14,
14,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.2947540283203125,
"b": 6.2947540283203125,
"c": 6.2947540283203125,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiSiAu2 | electrolyte_relevant | true | 4 | null | null | null | null | [
"li",
"electrolyte_candidate"
] | external_cif_tar |
tar:OQMD_517395 | [
"Ni",
"Sb",
"Au"
] | [
28,
28,
28,
28,
51,
51,
51,
51,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.593264102935791,
"b": 6.593264102935791,
"c": 6.593264102935791,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NiSbAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_N7kUJ5kdyT7IJbyDzCWiIWkf3ZKL | [
"Rb",
"Au",
"Pu"
] | [
37,
37,
37,
37,
94,
94,
94,
94,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.67366361618042,
"b": 7.67366361618042,
"c": 7.67366361618042,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbPuAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517443 | [
"Nb",
"Nd",
"Au"
] | [
60,
60,
60,
60,
41,
41,
41,
41,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.969339847564697,
"b": 6.969339847564697,
"c": 6.969339847564697,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdNbAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517460 | [
"Zr",
"Ho",
"Au"
] | [
67,
67,
67,
67,
40,
40,
40,
40,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.920224189758301,
"b": 6.920224189758301,
"c": 6.920224189758301,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | HoZrAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517473 | [
"Ni",
"Dy",
"Au"
] | [
66,
66,
66,
66,
28,
28,
28,
28,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.706366062164307,
"b": 6.706366062164307,
"c": 6.706366062164307,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | DyNiAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_SYiukhfJiL6-TFJ8Xt9BCUO-IcmP | [
"Ce",
"Sm",
"Au"
] | [
58,
58,
58,
58,
62,
62,
62,
62,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.3234076499938965,
"b": 7.3234076499938965,
"c": 7.3234076499938965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CeSmAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517509 | [
"Pm",
"W",
"Au"
] | [
61,
61,
61,
61,
74,
74,
74,
74,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 6.839029788970947,
"b": 6.839029788970947,
"c": 6.839029788970947,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PmWAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517544 | [
"Cu",
"Au",
"Np"
] | [
93,
93,
93,
93,
29,
29,
29,
29,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.713525772094727,
"b": 6.713525772094727,
"c": 6.713525772094727,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NpCuAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_BQcJUEO642SGjFAS1MhDB17vq31e | [
"Sc",
"Nb",
"Np"
] | [
93,
93,
93,
93,
93,
93,
93,
93,
21,
21,
21,
21,
41,
41,
41,
41
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
... | {
"a": 7.060693264007568,
"b": 7.060693264007568,
"c": 7.060693264007568,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Np2ScNb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517573 | [
"Rh",
"Re",
"Np"
] | [
93,
93,
93,
93,
93,
93,
93,
93,
75,
75,
75,
75,
45,
45,
45,
45
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
... | {
"a": 6.6426920890808105,
"b": 6.6426920890808105,
"c": 6.6426920890808105,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Np2ReRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_B3Wry1WN24DsyC-yKiC4uYCYwvoA | [
"Ru",
"Ag",
"Np"
] | [
93,
93,
93,
93,
93,
93,
93,
93,
47,
47,
47,
47,
44,
44,
44,
44
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
... | {
"a": 6.764441967010498,
"b": 6.764441967010498,
"c": 6.764441967010498,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Np2AgRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ykbVC15WUSgjgs-GpY-SPgIGRpcj | [
"Gd",
"Np",
"Pu"
] | [
64,
64,
64,
64,
94,
94,
94,
94,
93,
93,
93,
93,
93,
93,
93,
93
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.589165687561035,
"b": 7.589165687561035,
"c": 7.589165687561035,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | GdPuNp2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517628 | [
"Tb",
"Np",
"Pu"
] | [
65,
65,
65,
65,
94,
94,
94,
94,
93,
93,
93,
93,
93,
93,
93,
93
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.550551891326904,
"b": 7.550551891326904,
"c": 7.550551891326904,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbPuNp2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_F35EtzgONz44grjRBj1DB3ExF5ny | [
"Mg",
"Si",
"Np"
] | [
12,
12,
12,
12,
93,
93,
93,
93,
93,
93,
93,
93,
14,
14,
14,
14
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
... | {
"a": 7.079087257385254,
"b": 7.079087257385254,
"c": 7.079087257385254,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MgNp2Si | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517656 | [
"Rb",
"Tm",
"Np"
] | [
37,
37,
37,
37,
69,
69,
69,
69,
93,
93,
93,
93,
93,
93,
93,
93
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 8.15101432800293,
"b": 8.15101432800293,
"c": 8.15101432800293,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbTmNp2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_6HYIPQNG64k2kgVEmdn0-dCrja8b | [
"Be",
"Th",
"Np"
] | [
90,
90,
90,
90,
93,
93,
93,
93,
93,
93,
93,
93,
4,
4,
4,
4
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 7.030284881591797,
"b": 7.030284881591797,
"c": 7.030284881591797,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ThNp2Be | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517688 | [
"Mn",
"Sm",
"Np"
] | [
62,
62,
62,
62,
93,
93,
93,
93,
93,
93,
93,
93,
25,
25,
25,
25
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 6.772826194763184,
"b": 6.772826194763184,
"c": 6.772826194763184,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmNp2Mn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_mGwIVOPVNVMuPtoFikBfj_agR-As | [
"Cu",
"Tb",
"Np"
] | [
65,
65,
65,
65,
93,
93,
93,
93,
93,
93,
93,
93,
29,
29,
29,
29
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 7.088191032409668,
"b": 7.088191032409668,
"c": 7.088191032409668,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbNp2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517722 | [
"Mo",
"Ag",
"Np"
] | [
93,
93,
93,
93,
93,
93,
93,
93,
47,
47,
47,
47,
42,
42,
42,
42
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
... | {
"a": 6.789850234985352,
"b": 6.789850234985352,
"c": 6.789850234985352,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Np2AgMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_YE5LQbqP7jP7umVKgqtMSSK_ausv | [
"Ge",
"Pm",
"Np"
] | [
61,
61,
61,
61,
93,
93,
93,
93,
93,
93,
93,
93,
32,
32,
32,
32
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 7.263565540313721,
"b": 7.263565540313721,
"c": 7.263565540313721,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PmNp2Ge | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_WjmV9VTw_W62gPmBicw0na4GBAT1 | [
"Be",
"Pr",
"Np"
] | [
59,
59,
59,
59,
93,
93,
93,
93,
93,
93,
93,
93,
4,
4,
4,
4
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 7.144401550292969,
"b": 7.144401550292969,
"c": 7.144401550292969,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrNp2Be | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517780 | [
"Tb",
"Dy",
"Np"
] | [
65,
65,
65,
65,
66,
66,
66,
66,
93,
93,
93,
93,
93,
93,
93,
93
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.693587779998779,
"b": 7.693587779998779,
"c": 7.693587779998779,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbDyNp2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517794 | [
"Ti",
"Tl",
"Np"
] | [
93,
93,
93,
93,
93,
93,
93,
93,
22,
22,
22,
22,
81,
81,
81,
81
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
... | {
"a": 7.102556228637695,
"b": 7.102556228637695,
"c": 7.102556228637695,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Np2TiTl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_EZAsb_vknVbHZ-ajexfGWoCbcrCA | [
"Fe",
"Ag",
"Np"
] | [
93,
93,
93,
93,
93,
93,
93,
93,
26,
26,
26,
26,
47,
47,
47,
47
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
... | {
"a": 6.643506050109863,
"b": 6.643506050109863,
"c": 6.643506050109863,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Np2FeAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_78c5uPmoCBQ2JbC9a71Vkz4S_DNc | [
"Er",
"Yb",
"Np"
] | [
70,
70,
70,
70,
68,
68,
68,
68,
93,
93,
93,
93,
93,
93,
93,
93
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.740743637084961,
"b": 7.740743637084961,
"c": 7.740743637084961,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbErNp2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517831 | [
"Ca",
"Ni",
"Np"
] | [
20,
20,
20,
20,
93,
93,
93,
93,
93,
93,
93,
93,
28,
28,
28,
28
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
... | {
"a": 7.064003944396973,
"b": 7.064003944396973,
"c": 7.064003944396973,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaNp2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517848 | [
"Ga",
"Os",
"Np"
] | [
93,
93,
93,
93,
93,
93,
93,
93,
31,
31,
31,
31,
76,
76,
76,
76
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
... | {
"a": 6.867020130157471,
"b": 6.867020130157471,
"c": 6.867020130157471,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Np2GaOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517859 | [
"Cs",
"Sm",
"Np"
] | [
55,
55,
55,
55,
62,
62,
62,
62,
93,
93,
93,
93,
93,
93,
93,
93
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 8.186717987060547,
"b": 8.186717987060547,
"c": 8.186717987060547,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsSmNp2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517874 | [
"Co",
"Zn",
"Np"
] | [
93,
93,
93,
93,
93,
93,
93,
93,
30,
30,
30,
30,
27,
27,
27,
27
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
... | {
"a": 6.52419376373291,
"b": 6.52419376373291,
"c": 6.52419376373291,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Np2ZnCo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_517890 | [
"Pa",
"Np",
"Pu"
] | [
94,
94,
94,
94,
93,
93,
93,
93,
93,
93,
93,
93,
91,
91,
91,
91
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 6.8515801429748535,
"b": 6.8515801429748535,
"c": 6.8515801429748535,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PuNp2Pa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_DXmcrEH2lDPBnTpailz_dTszrb-j | [
"Nb",
"Th",
"Np"
] | [
90,
90,
90,
90,
93,
93,
93,
93,
93,
93,
93,
93,
41,
41,
41,
41
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 7.223229885101318,
"b": 7.223229885101318,
"c": 7.223229885101318,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ThNp2Nb | 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.