mp_id stringlengths 4 38 | elements listlengths 1 10 | atomic_numbers listlengths 1 200 | num_atoms int32 1 200 | num_elements int32 1 10 | fractional_coords listlengths 1 200 | lattice dict | spacegroup_number int32 0 230 | reduced_formula stringlengths 1 24 | tier stringclasses 3 values | is_li_containing bool 2 classes | num_li_atoms int32 0 104 ⌀ | band_gap float32 0 17.9 ⌀ | energy_above_hull float32 0 9.71 ⌀ | formation_energy_per_atom float32 -5.15 8.99 ⌀ | is_metal bool 2 classes | source_tags listlengths 1 5 ⌀ | source stringclasses 4 values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
tar:NOMAD_Tk3X_oyHwJOlEAzEzpHYDGJe8hLI | [
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tar:OQMD_409466 | [
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tar:OQMD_409477 | [
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tar:OQMD_409495 | [
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tar:OQMD_409509 | [
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} | 225 | CeY2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409526 | [
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"Cs",
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} | 225 | CsY2Np | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409541 | [
"Si",
"Y",
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39,
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} | 225 | Y2InSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409557 | [
"Y",
"Au",
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} | 225 | AcY2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409569 | [
"Y",
"Cd",
"Nd"
] | [
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39,
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} | 225 | NdY2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409583 | [
"Al",
"Y",
"Pd"
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} | 225 | Y2AlPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409598 | [
"Co",
"Y",
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} | 225 | Y2CdCo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_UfcjpQxYfUaq6OEP4gKoYXJE2X2_ | [
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} | 225 | Y2TiSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409624 | [
"Y",
"Rh",
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39,
39,
39,
90,
90,
90,
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} | 225 | Y2ThRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409639 | [
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} | 225 | BaY2Hf | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409651 | [
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} | 225 | Y2SbRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409669 | [
"Cu",
"Y",
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39,
39,
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tar:OQMD_409686 | [
"Y",
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} | 225 | PmSmY2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409700 | [
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} | 225 | Y2LuSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409719 | [
"Y",
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} | 225 | Y2HfTl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409736 | [
"Y",
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39,
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} | 225 | Y2ReAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409750 | [
"Y",
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63,
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39,
39,
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} | 225 | EuY2Tl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409766 | [
"Fe",
"Y",
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} | 225 | EuY2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409784 | [
"Y",
"Hg",
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39,
39,
39,
90,
90,
90,
90,
80,
80,
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} | 225 | Y2ThHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409798 | [
"Na",
"Ni",
"Y"
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11,
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11,
39,
39,
39,
39,
39,
39,
39,
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28,
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} | 225 | NaY2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409817 | [
"Y",
"Te",
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39,
39,
39,
39,
39,
39,
39,
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52,
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} | 225 | CsY2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409835 | [
"Y",
"La",
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39,
39,
39,
39,
39,
39,
39,
71,
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} | 225 | LaY2Lu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409852 | [
"Be",
"Y",
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39,
39,
39,
39,
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4,
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41,
41,
41,
41
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} | 225 | Y2BeNb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409868 | [
"Ca",
"Y",
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39,
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39,
39,
39,
39,
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} | 225 | CaY2Ag | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409884 | [
"Y",
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39,
39,
39,
39,
39,
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51,
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} | 225 | PmY2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_409898 | [
"Y",
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tar:OQMD_410044 | [
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tar:OQMD_410058 | [
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tar:OQMD_410073 | [
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tar:OQMD_410087 | [
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tar:OQMD_410130 | [
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tar:OQMD_410148 | [
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} | 225 | NdY2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410161 | [
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"Y",
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} | 225 | Y2SiTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410174 | [
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"Y",
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tar:OQMD_410191 | [
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42,
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} | 225 | Y2PaMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410207 | [
"Y",
"Tc",
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39,
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39,
39,
39,
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43,
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} | 225 | CeY2Tc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410222 | [
"Al",
"Y",
"Hf"
] | [
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39,
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39,
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72,
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tar:OQMD_410240 | [
"Y",
"Zr",
"Pd"
] | [
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39,
39,
39,
39,
40,
40,
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46,
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} | 225 | Y2ZrPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410263 | [
"Ti",
"Y",
"Ta"
] | [
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39,
39,
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39,
73,
73,
73,
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22,
22,
22,
22
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} | 225 | Y2TaTi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410280 | [
"Y",
"Ce",
"Pm"
] | [
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61,
61,
61,
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39,
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39,
39,
39,
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} | 225 | CePmY2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410292 | [
"Mg",
"Y",
"Ho"
] | [
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39,
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39,
39,
39,
39,
67,
67,
67,
67,
12,
12,
12,
12
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} | 225 | Y2HoMg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ZZaOF0QoiCipzalAAiVeE0xjKd77 | [
"K",
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39,
39,
39,
39,
39,
39,
39,
45,
45,
45,
45
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} | 225 | KY2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410317 | [
"Cr",
"Y",
"Np"
] | [
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39,
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39,
39,
39,
39,
39,
93,
93,
93,
93,
24,
24,
24,
24
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} | 225 | Y2NpCr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410331 | [
"Cu",
"Y",
"Er"
] | [
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39,
39,
39,
39,
39,
39,
39,
68,
68,
68,
68,
29,
29,
29,
29
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} | 225 | Y2ErCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410345 | [
"Mg",
"Y",
"Er"
] | [
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39,
39,
39,
39,
39,
39,
39,
68,
68,
68,
68,
12,
12,
12,
12
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tar:OQMD_410361 | [
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tar:NOMAD_ZBqtfVdUh49EJGQVYUOL-YGJR_nP | [
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tar:OQMD_410392 | [
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tar:OQMD_410410 | [
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tar:OQMD_410424 | [
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tar:OQMD_410439 | [
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tar:OQMD_410454 | [
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tar:OQMD_410470 | [
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tar:OQMD_410485 | [
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tar:OQMD_410503 | [
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39,
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} | 225 | BaSrY2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410519 | [
"Y",
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} | 225 | SmY2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410536 | [
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} | 225 | Y2TaRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410557 | [
"B",
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39,
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39,
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22,
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} | 225 | Y2TiB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_jXMQUkrtSZUZm2h6VUcNFvcBlNwl | [
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39,
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13,
13,
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43,
43,
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} | 225 | Y2AlTc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410585 | [
"Y",
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39,
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48,
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48
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tar:OQMD_410600 | [
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tar:OQMD_410615 | [
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tar:OQMD_410632 | [
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tar:OQMD_410649 | [
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tar:OQMD_410665 | [
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tar:OQMD_410694 | [
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tar:OQMD_410707 | [
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tar:OQMD_410721 | [
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tar:OQMD_410739 | [
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tar:OQMD_410751 | [
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tar:NOMAD_Ng6QboxhBs9rYGKr7vImZ8Ns31Cw | [
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tar:OQMD_410779 | [
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tar:OQMD_410795 | [
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tar:OQMD_410810 | [
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} | 225 | PrY2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410824 | [
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"Y",
"Np"
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38,
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39,
39,
39,
39,
39,
39,
39,
93,
93,
93,
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} | 225 | SrY2Np | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410841 | [
"Y",
"Nd",
"Hg"
] | [
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60,
60,
60,
39,
39,
39,
39,
39,
39,
39,
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80,
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80
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"alpha": 90,
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} | 225 | NdY2Hg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410855 | [
"Si",
"Y",
"Nb"
] | [
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39,
39,
39,
39,
39,
39,
39,
41,
41,
41,
41,
14,
14,
14,
14
] | 16 | 3 | [
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] | {
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"c": 7.115039825439453,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Y2NbSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410871 | [
"Be",
"Y",
"Ac"
] | [
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89,
89,
89,
39,
39,
39,
39,
39,
39,
39,
39,
4,
4,
4,
4
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcY2Be | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410885 | [
"Ga",
"Y",
"Mo"
] | [
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39,
39,
39,
39,
39,
39,
39,
31,
31,
31,
31,
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42,
42,
42
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Y2GaMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410896 | [
"Co",
"Y",
"Eu"
] | [
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63,
63,
63,
39,
39,
39,
39,
39,
39,
39,
39,
27,
27,
27,
27
] | 16 | 3 | [
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] | {
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"b": 7.21115779876709,
"c": 7.21115779876709,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuY2Co | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410908 | [
"Y",
"Ta",
"Pu"
] | [
39,
39,
39,
39,
39,
39,
39,
39,
94,
94,
94,
94,
73,
73,
73,
73
] | 16 | 3 | [
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],
[
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],
[
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]
] | {
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"b": 7.327154159545898,
"c": 7.327154159545898,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Y2PuTa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410935 | [
"Mn",
"Zn",
"Y"
] | [
39,
39,
39,
39,
39,
39,
39,
39,
25,
25,
25,
25,
30,
30,
30,
30
] | 16 | 3 | [
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]
] | {
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"b": 6.897237777709961,
"c": 6.897237777709961,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Y2MnZn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410948 | [
"Y",
"Sm",
"Gd"
] | [
62,
62,
62,
62,
64,
64,
64,
64,
39,
39,
39,
39,
39,
39,
39,
39
] | 16 | 3 | [
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0
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[
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],
[
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]
] | {
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"b": 8.070478439331055,
"c": 8.070478439331055,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmGdY2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410960 | [
"Be",
"Y",
"Bi"
] | [
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39,
39,
39,
39,
39,
39,
39,
4,
4,
4,
4,
83,
83,
83,
83
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Y2BeBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410973 | [
"Mg",
"Y",
"Ce"
] | [
58,
58,
58,
58,
39,
39,
39,
39,
39,
39,
39,
39,
12,
12,
12,
12
] | 16 | 3 | [
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0
],
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]
] | {
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"c": 7.916656017303467,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CeY2Mg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_410987 | [
"Y",
"Pd",
"U"
] | [
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39,
39,
39,
39,
39,
39,
39,
92,
92,
92,
92,
46,
46,
46,
46
] | 16 | 3 | [
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[
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[
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],
[
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0.5
]
] | {
"a": 7.178328037261963,
"b": 7.178328037261963,
"c": 7.178328037261963,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Y2UPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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