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_450926 | [
"Cr",
"Rh",
"Au"
] | [
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24,
24,
24,
45,
45,
45,
45,
45,
45,
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] | {
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"b": 6.090002059936523,
"c": 6.090002059936523,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CrRh2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_450939 | [
"Y",
"Rh",
"Au"
] | [
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39,
39,
39,
45,
45,
45,
45,
45,
45,
45,
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] | 16 | 3 | [
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] | {
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"b": 6.520840167999268,
"c": 6.520840167999268,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YRh2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_450954 | [
"Rh",
"Ag",
"Bi"
] | [
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47,
47,
47,
83,
83,
83,
83,
45,
45,
45,
45,
45,
45,
45,
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] | 16 | 3 | [
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] | {
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"b": 6.512310028076172,
"c": 6.512310028076172,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AgBiRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_450968 | [
"Ca",
"Cu",
"Rh"
] | [
20,
20,
20,
20,
29,
29,
29,
29,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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],
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] | {
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"b": 6.3581461906433105,
"c": 6.3581461906433105,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaCuRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_450985 | [
"V",
"Rh",
"Tb"
] | [
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65,
65,
65,
23,
23,
23,
23,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
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"b": 6.438940048217773,
"c": 6.438940048217773,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbVRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_450999 | [
"Ti",
"Fe",
"Rh"
] | [
22,
22,
22,
22,
26,
26,
26,
26,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
"a": 6.024395942687988,
"b": 6.024395942687988,
"c": 6.024395942687988,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TiFeRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451028 | [
"Ca",
"Mo",
"Rh"
] | [
20,
20,
20,
20,
42,
42,
42,
42,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
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"c": 6.446857929229736,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaMoRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_4tkowgeNQpy8ip-c0hRDZWDc1lFx | [
"K",
"Y",
"Rh"
] | [
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19,
19,
19,
39,
39,
39,
39,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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],
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]
] | {
"a": 6.944869518280029,
"b": 6.944869518280029,
"c": 6.944869518280029,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KYRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451056 | [
"V",
"Ni",
"Rh"
] | [
23,
23,
23,
23,
28,
28,
28,
28,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
"a": 5.940680027008057,
"b": 5.940680027008057,
"c": 5.940680027008057,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | VNiRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451101 | [
"Rh",
"Nd",
"Tb"
] | [
65,
65,
65,
65,
60,
60,
60,
60,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbNdRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451117 | [
"Li",
"Mn",
"Rh"
] | [
3,
3,
3,
3,
25,
25,
25,
25,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
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"c": 5.892560005187988,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiMnRh2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_451132 | [
"Cu",
"Rh",
"Th"
] | [
90,
90,
90,
90,
29,
29,
29,
29,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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],
[
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] | {
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"b": 6.567808151245117,
"c": 6.567808151245117,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ThCuRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451147 | [
"Nb",
"Rh",
"Te"
] | [
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41,
41,
41,
52,
52,
52,
52,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NbTeRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451162 | [
"Rh",
"Te",
"Bi"
] | [
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83,
52,
52,
52,
52,
45,
45,
45,
45,
45,
45,
45,
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] | 16 | 3 | [
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] | {
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"c": 6.779041767120361,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BiTeRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451178 | [
"Fe",
"Rh",
"Yb"
] | [
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70,
70,
70,
26,
26,
26,
26,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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tar:OQMD_451194 | [
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tar:OQMD_451208 | [
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tar:OQMD_451223 | [
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tar:OQMD_451271 | [
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tar:OQMD_451289 | [
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tar:OQMD_451305 | [
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tar:OQMD_451333 | [
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} | 225 | BTeRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451347 | [
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} | 225 | MoRh2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451362 | [
"Y",
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} | 225 | YThRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451389 | [
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} | 225 | AcNpRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451402 | [
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} | 225 | YbMnRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451432 | [
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} | 225 | ThPdRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451444 | [
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} | 225 | AgSnRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451476 | [
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} | 225 | LaURh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451506 | [
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tar:OQMD_451523 | [
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} | 225 | TmNpRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451537 | [
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tar:OQMD_451556 | [
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tar:OQMD_451573 | [
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tar:OQMD_451593 | [
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tar:OQMD_451612 | [
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tar:OQMD_451627 | [
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tar:NOMAD_mk731-3-6eH_2cHH7jutg7RMVvEx | [
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tar:OQMD_451664 | [
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tar:OQMD_451682 | [
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} | 225 | VPtRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451714 | [
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} | 225 | LaNiRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451728 | [
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} | 225 | NiRh2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451758 | [
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} | 225 | RbScRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451775 | [
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28,
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} | 225 | MnNiRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451791 | [
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tar:OQMD_451807 | [
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tar:OQMD_451843 | [
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tar:OQMD_451857 | [
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tar:OQMD_451870 | [
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tar:OQMD_451886 | [
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tar:OQMD_451901 | [
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tar:OQMD_451912 | [
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tar:OQMD_451924 | [
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tar:OQMD_451938 | [
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} | 225 | SiOsRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_451953 | [
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tar:OQMD_451965 | [
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tar:OQMD_451979 | [
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} | 225 | BaNbRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452004 | [
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} | 225 | TiNbRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452018 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | GdCoRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452034 | [
"Rh",
"Cd",
"Ce"
] | [
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58,
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48,
48,
48,
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45,
45,
45,
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"alpha": 90,
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} | 225 | CeCdRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452054 | [
"Rb",
"Rh",
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57,
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45,
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"alpha": 90,
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} | 225 | RbLaRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452072 | [
"Rh",
"Ag",
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] | [
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51,
51,
51,
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45,
45,
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45,
45,
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"alpha": 90,
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} | 225 | AgSbRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452084 | [
"Nb",
"Rh",
"Sm"
] | [
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62,
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62,
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41,
41,
41,
45,
45,
45,
45,
45,
45,
45,
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] | {
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"alpha": 90,
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} | 225 | SmNbRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452103 | [
"Rh",
"Ce",
"Tb"
] | [
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65,
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65,
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58,
58,
58,
45,
45,
45,
45,
45,
45,
45,
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] | {
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"alpha": 90,
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} | 225 | TbCeRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452121 | [
"Rh",
"Cd",
"Yb"
] | [
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70,
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70,
48,
48,
48,
48,
45,
45,
45,
45,
45,
45,
45,
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] | {
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"alpha": 90,
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} | 225 | YbCdRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452136 | [
"Ti",
"Rh",
"Er"
] | [
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68,
68,
68,
22,
22,
22,
22,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | ErTiRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452150 | [
"Rh",
"Te",
"Pb"
] | [
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52,
52,
52,
45,
45,
45,
45,
45,
45,
45,
45,
82,
82,
82,
82
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | TeRh2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452164 | [
"Fe",
"Rh",
"U"
] | [
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92,
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92,
26,
26,
26,
26,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | UFeRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452175 | [
"Mo",
"Rh",
"Sb"
] | [
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51,
51,
51,
42,
42,
42,
42,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
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} | 225 | SbMoRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452192 | [
"Rh",
"Tb",
"U"
] | [
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65,
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65,
92,
92,
92,
92,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | TbURh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452209 | [
"Na",
"Rh",
"Pm"
] | [
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11,
61,
61,
61,
61,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | NaPmRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452231 | [
"Ga",
"Nb",
"Rh"
] | [
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41,
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41,
31,
31,
31,
31,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
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} | 225 | NbGaRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452246 | [
"Ca",
"Rh",
"W"
] | [
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20,
20,
20,
45,
45,
45,
45,
45,
45,
45,
45,
74,
74,
74,
74
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | CaRh2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452262 | [
"Al",
"Rh",
"Dy"
] | [
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66,
66,
66,
13,
13,
13,
13,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
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"alpha": 90,
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tar:OQMD_452279 | [
"Ga",
"Rh",
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} | 225 | GaPdRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452298 | [
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} | 225 | CdBRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452311 | [
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} | 225 | TmAsRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452327 | [
"Rh",
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51,
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} | 225 | NpSbRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452340 | [
"Ru",
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tar:OQMD_452355 | [
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} | 225 | DyCoRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452365 | [
"Mo",
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42,
42,
42,
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45,
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} | 225 | UMoRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452383 | [
"Co",
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27,
27,
27,
45,
45,
45,
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45,
45,
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"alpha": 90,
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} | 225 | ErCoRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452398 | [
"Rh",
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72,
72,
72,
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45,
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45,
45,
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} | 225 | HoHfRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452415 | [
"Mn",
"Rh",
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81,
81,
81,
81,
45,
45,
45,
45,
45,
45,
45,
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} | 225 | MnTlRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452430 | [
"Rh",
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51,
51,
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45,
45,
45,
45,
45,
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} | 225 | TbSbRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452444 | [
"Fe",
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78,
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45,
45,
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45,
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} | 225 | FePtRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452460 | [
"Co",
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27,
27,
27,
27,
45,
45,
45,
45,
45,
45,
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} | 225 | PuCoRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452476 | [
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33,
33,
33,
33,
45,
45,
45,
45,
45,
45,
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"alpha": 90,
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} | 225 | RbAsRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452499 | [
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45,
45
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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0.75
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[
0.25,
0.25,
0.25
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[
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0.25,
0.25
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] | {
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"b": 7.136847972869873,
"c": 7.136847972869873,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaHoRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452522 | [
"Co",
"Rh",
"Lu"
] | [
71,
71,
71,
71,
27,
27,
27,
27,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
],
[
0.5,
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[
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0,
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[
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0.5,
0
],
[
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[
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[
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0.25
],
[
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[
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[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 6.281928062438965,
"b": 6.281928062438965,
"c": 6.281928062438965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LuCoRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_VFBeng1A34cPiPN6SHGJkvTmt-WS | [
"Si",
"Sr",
"Rh"
] | [
38,
38,
38,
38,
14,
14,
14,
14,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
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[
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0.5
],
[
0.5,
0,
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],
[
0.5,
0.5,
0
],
[
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],
[
0.25,
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0.25
],
[
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],
[
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[
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[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] | {
"a": 6.5088348388671875,
"b": 6.5088348388671875,
"c": 6.5088348388671875,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrSiRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452552 | [
"Be",
"Rh",
"Te"
] | [
4,
4,
4,
4,
52,
52,
52,
52,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
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[
0.5,
0.5,
0.5
],
[
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0
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[
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],
[
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[
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0.75
],
[
0.25,
0.25,
0.25
],
[
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0.25,
0.25
]
] | {
"a": 6.190246105194092,
"b": 6.190246105194092,
"c": 6.190246105194092,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BeTeRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452566 | [
"Zn",
"Rb",
"Rh"
] | [
37,
37,
37,
37,
30,
30,
30,
30,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
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0.5
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[
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[
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[
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0
],
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[
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0.25
],
[
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],
[
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[
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[
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0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
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]
] | {
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"b": 6.640873908996582,
"c": 6.640873908996582,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbZnRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452582 | [
"Nb",
"Rh",
"Yb"
] | [
70,
70,
70,
70,
41,
41,
41,
41,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
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[
0.5,
0,
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],
[
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],
[
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[
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],
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[
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0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
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0.75,
0.75
]
] | {
"a": 6.481237888336182,
"b": 6.481237888336182,
"c": 6.481237888336182,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbNbRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452597 | [
"Rh",
"Sm",
"Pb"
] | [
62,
62,
62,
62,
45,
45,
45,
45,
45,
45,
45,
45,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
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0
],
[
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],
[
0.25,
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],
[
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0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 6.786171913146973,
"b": 6.786171913146973,
"c": 6.786171913146973,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmRh2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452613 | [
"Rh",
"Eu",
"Lu"
] | [
63,
63,
63,
63,
71,
71,
71,
71,
45,
45,
45,
45,
45,
45,
45,
45
] | 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,
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
]
] | {
"a": 6.76924991607666,
"b": 6.76924991607666,
"c": 6.76924991607666,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuLuRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452630 | [
"K",
"Rh",
"Re"
] | [
19,
19,
19,
19,
75,
75,
75,
75,
45,
45,
45,
45,
45,
45,
45,
45
] | 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,
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
]
] | {
"a": 6.463168144226074,
"b": 6.463168144226074,
"c": 6.463168144226074,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KReRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452643 | [
"Li",
"Rh",
"Eu"
] | [
3,
3,
3,
3,
63,
63,
63,
63,
45,
45,
45,
45,
45,
45,
45,
45
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
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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,
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0.75
],
[
0.25,
0.25,
0.25
],
[
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],
[
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[
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0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 6.386288166046143,
"b": 6.386288166046143,
"c": 6.386288166046143,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiEuRh2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_452657 | [
"Rh",
"Nd",
"Lu"
] | [
60,
60,
60,
60,
71,
71,
71,
71,
45,
45,
45,
45,
45,
45,
45,
45
] | 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,
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0.75
],
[
0.25,
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[
0.25,
0.25,
0.25
],
[
0.25,
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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
]
] | {
"a": 6.8722381591796875,
"b": 6.8722381591796875,
"c": 6.8722381591796875,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdLuRh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_452670 | [
"Rh",
"W",
"Th"
] | [
90,
90,
90,
90,
45,
45,
45,
45,
45,
45,
45,
45,
74,
74,
74,
74
] | 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
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.698815822601318,
"b": 6.698815822601318,
"c": 6.698815822601318,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ThRh2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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