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_414096 | [
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} | 225 | ZrCo2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414110 | [
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} | 225 | PmTaCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_h-TmuWF2ZYG-uzYAKPz6nHuhBZAV | [
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"alpha": 90,
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} | 225 | TbScCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414138 | [
"Co",
"As",
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} | 225 | Co2SnAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414152 | [
"Co",
"Hf",
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27,
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"alpha": 90,
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} | 225 | HfUCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414169 | [
"Li",
"Co",
"Bi"
] | [
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27,
27,
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"alpha": 90,
"beta": 90,
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} | 225 | LiCo2Bi | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_414188 | [
"Fe",
"Co",
"Cu"
] | [
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27,
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27,
27,
27,
27,
27,
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"alpha": 90,
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} | 225 | FeCo2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_hgMYBYnbk1h5xu1Q-F7CzMQ75__Z | [
"Co",
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"Th"
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"alpha": 90,
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} | 225 | CeThCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414211 | [
"Co",
"Gd",
"Ac"
] | [
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89,
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64,
64,
64,
27,
27,
27,
27,
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] | {
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"alpha": 90,
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} | 225 | AcGdCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_P1ckrlzpO-Tuz2zjvS246PrU0T1b | [
"Co",
"Cu",
"Pt"
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29,
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] | {
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"alpha": 90,
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} | 225 | Co2CuPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414248 | [
"Na",
"Co",
"Te"
] | [
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27,
27,
27,
27,
27,
27,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | NaCo2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414263 | [
"Co",
"Pt",
"Bi"
] | [
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27,
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27,
27,
27,
27,
83,
83,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Co2BiPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414277 | [
"Co",
"Cu",
"Re"
] | [
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27,
27,
27,
27,
29,
29,
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"alpha": 90,
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} | 225 | Co2CuRe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414294 | [
"Fe",
"Co",
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26,
26,
26,
27,
27,
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27,
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27,
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] | {
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"alpha": 90,
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} | 225 | SrFeCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_q5CHrkd_luYMoMurcs5dPYjiqgix | [
"Co",
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41,
41,
41,
27,
27,
27,
27,
27,
27,
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] | 16 | 3 | [
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tar:OQMD_414328 | [
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tar:OQMD_414345 | [
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tar:OQMD_414364 | [
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tar:NOMAD_IywYv3PdHGom_EwS9HxBE5BBuGi0 | [
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tar:OQMD_414404 | [
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tar:OQMD_414417 | [
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tar:NOMAD_nELMyZjuAXilxF0QNgzhkJxMFaam | [
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tar:OQMD_414441 | [
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tar:OQMD_414456 | [
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tar:OQMD_414472 | [
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tar:OQMD_414487 | [
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tar:OQMD_414503 | [
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tar:NOMAD_Dyzv41XUd1q1_DPOHPGaIww-LZVC | [
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tar:OQMD_414530 | [
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"gamma": 90
} | 225 | CsHf2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_d9F4TYUOudAaZhu_1hnemP1NmUXH | [
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} | 225 | ErHf2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414558 | [
"Sc",
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} | 225 | ErHf2Sc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414572 | [
"Cr",
"Hf",
"Ta"
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72,
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72,
73,
73,
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"alpha": 90,
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} | 225 | Hf2TaCr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414584 | [
"Fe",
"Ru",
"Hf"
] | [
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72,
72,
72,
72,
72,
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26,
26,
26,
44,
44,
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] | {
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"alpha": 90,
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} | 225 | Hf2FeRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414598 | [
"Nb",
"Tb",
"Hf"
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65,
72,
72,
72,
72,
72,
72,
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72,
41,
41,
41,
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} | 225 | TbHf2Nb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414614 | [
"Ti",
"Ru",
"Hf"
] | [
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72,
72,
72,
22,
22,
22,
22,
44,
44,
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] | 16 | 3 | [
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} | 225 | Hf2TiRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414626 | [
"Ag",
"Eu",
"Hf"
] | [
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63,
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63,
72,
72,
72,
72,
72,
72,
72,
72,
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47,
47,
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} | 225 | EuHf2Ag | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414644 | [
"Sr",
"Hf",
"Pt"
] | [
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38,
38,
38,
72,
72,
72,
72,
72,
72,
72,
72,
78,
78,
78,
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"alpha": 90,
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} | 225 | SrHf2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414662 | [
"Al",
"Hf",
"U"
] | [
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72,
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72,
72,
72,
72,
72,
92,
92,
92,
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13,
13,
13
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"alpha": 90,
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} | 225 | Hf2UAl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414677 | [
"Mg",
"Hf",
"Ac"
] | [
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89,
72,
72,
72,
72,
72,
72,
72,
72,
12,
12,
12,
12
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} | 225 | AcHf2Mg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414691 | [
"Fe",
"Hf",
"Pb"
] | [
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72,
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72,
72,
72,
72,
26,
26,
26,
26,
82,
82,
82,
82
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] | {
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"alpha": 90,
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} | 225 | Hf2FePb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414705 | [
"Hf",
"Bi",
"U"
] | [
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72,
72,
72,
72,
92,
92,
92,
92,
83,
83,
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] | {
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"alpha": 90,
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} | 225 | Hf2UBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414722 | [
"Cs",
"Hf",
"Ir"
] | [
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55,
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55,
72,
72,
72,
72,
72,
72,
72,
72,
77,
77,
77,
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] | {
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"alpha": 90,
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} | 225 | CsHf2Ir | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414736 | [
"Rh",
"Hf",
"Th"
] | [
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72,
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72,
72,
72,
72,
72,
90,
90,
90,
90,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Hf2ThRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414755 | [
"Ba",
"Hf",
"Bi"
] | [
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56,
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56,
72,
72,
72,
72,
72,
72,
72,
72,
83,
83,
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] | 16 | 3 | [
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tar:OQMD_414769 | [
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tar:OQMD_414782 | [
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tar:OQMD_414798 | [
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tar:OQMD_414816 | [
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tar:OQMD_414837 | [
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tar:OQMD_414850 | [
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tar:OQMD_414865 | [
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tar:NOMAD_Ub_30EEiuShESTSNLrLST3L1p7JU | [
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tar:OQMD_414891 | [
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tar:NOMAD_Iyswoy5q03ym0T36AHeAu5vCgNUP | [
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tar:OQMD_414920 | [
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tar:OQMD_414938 | [
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tar:OQMD_414953 | [
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tar:OQMD_414970 | [
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tar:NOMAD_AxWvCl_MbjZCyEAvbIJscQULScZS | [
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tar:OQMD_415243 | [
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tar:NOMAD_NuDeLprac4Hhhq2aGFMpPn1QZeWl | [
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tar:OQMD_415276 | [
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tar:OQMD_415289 | [
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tar:NOMAD_wfmuZCFvFKwIdyWxiB6MGIK4wcVY | [
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tar:OQMD_415316 | [
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tar:OQMD_415329 | [
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tar:OQMD_415343 | [
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} | 225 | PmHf2Tl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_415356 | [
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tar:OQMD_415377 | [
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} | 225 | Hf2ZrIn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_415397 | [
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} | 225 | Hf2TcGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_415411 | [
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} | 225 | Hf2UAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_415433 | [
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tar:NOMAD_7nkEmyD0RXb9ZSwJ6N8fIPGqpIiK | [
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} | 225 | ErHf2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_PAuBOGGy_gFAYVI0Gj1dsGBQVOX3 | [
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"b": 7.220621585845947,
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LuHf2Sc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_415492 | [
"Ga",
"Hf",
"Bi"
] | [
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72,
72,
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72,
72,
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31,
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"alpha": 90,
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} | 225 | Hf2GaBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_415521 | [
"Sc",
"Y",
"Hf"
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72,
72,
72,
72,
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] | 16 | 3 | [
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"alpha": 90,
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"gamma": 90
} | 225 | YHf2Sc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_415537 | [
"Li",
"Sb",
"Hf"
] | [
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72,
72,
72,
72,
72,
72,
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} | 225 | LiHf2Sb | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_415552 | [
"As",
"Ce",
"Hf"
] | [
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58,
58,
58,
72,
72,
72,
72,
72,
72,
72,
72,
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33,
33,
33
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"alpha": 90,
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} | 225 | CeHf2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_415568 | [
"Ti",
"Ba",
"Hf"
] | [
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56,
56,
56,
72,
72,
72,
72,
72,
72,
72,
72,
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22,
22,
22
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} | 225 | BaHf2Ti | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_415582 | [
"Fe",
"Cs",
"Hf"
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55,
72,
72,
72,
72,
72,
72,
72,
72,
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26,
26,
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"alpha": 90,
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} | 225 | CsHf2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_415597 | [
"Zn",
"Hf",
"Au"
] | [
72,
72,
72,
72,
72,
72,
72,
72,
30,
30,
30,
30,
79,
79,
79,
79
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
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} | 225 | Hf2ZnAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_M-vtI1qHeIrnD0GaQIh2rYKi-Upk | [
"Si",
"Fe",
"Hf"
] | [
72,
72,
72,
72,
72,
72,
72,
72,
26,
26,
26,
26,
14,
14,
14,
14
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Hf2FeSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_415627 | [
"Zr",
"Yb",
"Hf"
] | [
70,
70,
70,
70,
72,
72,
72,
72,
72,
72,
72,
72,
40,
40,
40,
40
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | YbHf2Zr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_415647 | [
"Ti",
"Ge",
"Hf"
] | [
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72,
72,
72,
72,
72,
72,
72,
22,
22,
22,
22,
32,
32,
32,
32
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Hf2TiGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_415679 | [
"Mg",
"Pr",
"Hf"
] | [
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59,
59,
59,
72,
72,
72,
72,
72,
72,
72,
72,
12,
12,
12,
12
] | 16 | 3 | [
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[
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] | {
"a": 7.302241802215576,
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"c": 7.302241802215576,
"alpha": 90,
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"gamma": 90
} | 225 | PrHf2Mg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_415694 | [
"Nd",
"Sm",
"Hf"
] | [
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60,
60,
60,
62,
62,
62,
62,
72,
72,
72,
72,
72,
72,
72,
72
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | NdSmHf2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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