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_398519 | [
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tar:OQMD_398543 | [
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} | 225 | DyTe2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398555 | [
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} | 225 | ReHgTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_sVyPhUr8mugpWN2bW-MZGi5eR3TY | [
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} | 225 | ZrAlTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398579 | [
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} | 225 | CoTe2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398595 | [
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"alpha": 90,
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} | 225 | BaYTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398613 | [
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} | 225 | HoSbTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398630 | [
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} | 225 | BaLiTe2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_398640 | [
"Te",
"Os",
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} | 225 | Te2OsPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398655 | [
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} | 225 | PrTe2Ir | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398667 | [
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} | 225 | KVTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398677 | [
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} | 225 | RbGdTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398691 | [
"Te",
"Os",
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} | 225 | Te2OsAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_90BKa_6aTxH3jKaqCw0LxOOGkyo3 | [
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} | 225 | TaCoTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398717 | [
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tar:OQMD_398730 | [
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} | 225 | LiBeTe2 | general_inorganic | true | 4 | null | null | null | null | [
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tar:OQMD_398745 | [
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tar:OQMD_398762 | [
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tar:OQMD_398780 | [
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tar:OQMD_398798 | [
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tar:OQMD_398816 | [
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tar:OQMD_398832 | [
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} | 225 | Te2AsIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398847 | [
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} | 225 | InCoTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398863 | [
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tar:NOMAD__5O2Qh3uaW4FCKDU-aH5dJCb9gS9 | [
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tar:OQMD_398895 | [
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} | 225 | ScHgTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_p-Kk1DuNihdUb5A067KsCafQjfZw | [
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52,
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} | 225 | NbAlTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398923 | [
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} | 225 | HfTaTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398936 | [
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} | 225 | TbMgTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398950 | [
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tar:OQMD_398964 | [
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tar:OQMD_398977 | [
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tar:OQMD_398994 | [
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tar:NOMAD_2O07DBubgZBQiz5VY9MIn5skUyGD | [
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tar:OQMD_399027 | [
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tar:OQMD_399039 | [
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tar:NOMAD_QoCqoZwlCieW0sesqVHGDSDYcSM0 | [
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tar:OQMD_399065 | [
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tar:OQMD_399077 | [
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tar:OQMD_399107 | [
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tar:OQMD_399122 | [
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tar:OQMD_399153 | [
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tar:OQMD_399164 | [
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} | 225 | Pm2FeTc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399179 | [
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} | 225 | Pm2MnRe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399193 | [
"Be",
"Si",
"Pm"
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61,
61,
61,
61,
61,
61,
61,
4,
4,
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4,
14,
14,
14,
14
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tar:OQMD_399205 | [
"Ba",
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61,
61,
61,
61,
61,
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61,
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64,
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} | 225 | BaPm2Gd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_SY4gwKIdp84UEBfG9u-Ih9yS7vs2 | [
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61,
61,
61,
61,
61,
61,
61,
82,
82,
82,
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} | 225 | CePm2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399229 | [
"Li",
"Pm",
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] | [
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3,
89,
89,
89,
89,
61,
61,
61,
61,
61,
61,
61,
61
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} | 225 | LiAcPm2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_399243 | [
"Fe",
"Ru",
"Pm"
] | [
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61,
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61,
61,
61,
61,
61,
26,
26,
26,
26,
44,
44,
44,
44
] | 16 | 3 | [
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} | 225 | Pm2FeRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399256 | [
"Pm",
"Hf",
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61,
61,
61,
61,
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72,
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90,
90,
90,
90
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Pm2HfTh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399272 | [
"As",
"Zr",
"Pm"
] | [
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61,
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61,
61,
61,
61,
61,
40,
40,
40,
40,
33,
33,
33,
33
] | 16 | 3 | [
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} | 225 | Pm2ZrAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ik0mt4evYh5d43BQoawJlEV7jP-S | [
"Ag",
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"Eu"
] | [
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61,
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61,
61,
61,
63,
63,
63,
63,
47,
47,
47,
47
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Pm2EuAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_NQehfj32BJ6MdskeK2gtroy_o5VR | [
"B",
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] | [
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61,
61,
61,
61,
61,
61,
61,
69,
69,
69,
69,
5,
5,
5,
5
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Pm2TmB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399312 | [
"Si",
"In",
"Pm"
] | [
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61,
61,
61,
61,
61,
61,
61,
49,
49,
49,
49,
14,
14,
14,
14
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Pm2InSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399325 | [
"Nb",
"Pm",
"Th"
] | [
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61,
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61,
61,
61,
61,
61,
90,
90,
90,
90,
41,
41,
41,
41
] | 16 | 3 | [
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] | {
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} | 225 | Pm2ThNb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399342 | [
"Ge",
"Nb",
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] | [
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61,
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61,
61,
61,
61,
61,
41,
41,
41,
41,
32,
32,
32,
32
] | 16 | 3 | [
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} | 225 | Pm2NbGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399358 | [
"Na",
"Fe",
"Pm"
] | [
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11,
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11,
61,
61,
61,
61,
61,
61,
61,
61,
26,
26,
26,
26
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | NaPm2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399375 | [
"Ru",
"Pm",
"Yb"
] | [
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61,
61,
61,
61,
61,
61,
61,
61,
44,
44,
44,
44
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] | {
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"alpha": 90,
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} | 225 | YbPm2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399389 | [
"Cr",
"Pm",
"Ac"
] | [
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61,
61,
61,
61,
61,
61,
61,
61,
24,
24,
24,
24
] | 16 | 3 | [
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} | 225 | AcPm2Cr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399420 | [
"Mn",
"Pd",
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61,
61,
61,
61,
25,
25,
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46,
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} | 225 | Pm2MnPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_eIaf31oHKAmgrkaDqwLylL7k2rFF | [
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} | 225 | Pm2BeCr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399448 | [
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} | 225 | YbPm2Ir | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399462 | [
"Te",
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61,
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73,
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} | 225 | Pm2TaTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399476 | [
"Rh",
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73,
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} | 225 | Pm2TaRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399490 | [
"K",
"Ru",
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19,
61,
61,
61,
61,
61,
61,
61,
61,
44,
44,
44,
44
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} | 225 | KPm2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399502 | [
"Ti",
"Pm",
"Dy"
] | [
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61,
61,
61,
66,
66,
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22,
22,
22,
22
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} | 225 | Pm2DyTi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399514 | [
"Co",
"Pm",
"Th"
] | [
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61,
61,
61,
61,
61,
61,
61,
90,
90,
90,
90,
27,
27,
27,
27
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Pm2ThCo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_BBrKbAa_kTDfqLnU6osS9QYwgnd5 | [
"Ag",
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] | [
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70,
61,
61,
61,
61,
61,
61,
61,
61,
47,
47,
47,
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"alpha": 90,
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} | 225 | YbPm2Ag | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399552 | [
"Na",
"Pm",
"Gd"
] | [
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11,
11,
61,
61,
61,
61,
61,
61,
61,
61,
64,
64,
64,
64
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} | 225 | NaPm2Gd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399572 | [
"Be",
"Pm",
"Hg"
] | [
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61,
61,
61,
61,
61,
61,
61,
4,
4,
4,
4,
80,
80,
80,
80
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} | 225 | Pm2BeHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399589 | [
"Mo",
"Sn",
"Pm"
] | [
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61,
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61,
61,
61,
61,
61,
50,
50,
50,
50,
42,
42,
42,
42
] | 16 | 3 | [
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} | 225 | Pm2SnMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399603 | [
"Pm",
"Pb",
"Np"
] | [
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61,
61,
61,
61,
61,
61,
61,
93,
93,
93,
93,
82,
82,
82,
82
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Pm2NpPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399619 | [
"Tc",
"Pm",
"Ac"
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89,
89,
89,
61,
61,
61,
61,
61,
61,
61,
61,
43,
43,
43,
43
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | AcPm2Tc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399633 | [
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tar:OQMD_399647 | [
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tar:OQMD_399663 | [
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tar:NOMAD_PAWT_t5gdRmVXyo12G7hErfGrqUp | [
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tar:OQMD_399696 | [
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tar:OQMD_399725 | [
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tar:OQMD_399736 | [
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tar:NOMAD_68vWytzHKdZlV34x5NOfSKfEW2Mn | [
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tar:NOMAD_v88Qy_KIXom8AIv2x_ACQl7e0t4M | [
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} | 225 | Pm2LuV | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399773 | [
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} | 225 | Pm2NdTi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399788 | [
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90,
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tar:OQMD_399802 | [
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} | 225 | Pm2DyHf | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399833 | [
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} | 225 | Pm2GaW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399854 | [
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} | 225 | Pm2BeCd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399869 | [
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[
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[
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]
] | {
"a": 7.294971942901611,
"b": 7.294971942901611,
"c": 7.294971942901611,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbPm2B | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399885 | [
"Rh",
"Ba",
"Pm"
] | [
56,
56,
56,
56,
61,
61,
61,
61,
61,
61,
61,
61,
45,
45,
45,
45
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaPm2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ftZba8DLK2aLnWThrwfe23oicWhf | [
"Mg",
"Y",
"Pm"
] | [
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61,
61,
61,
61,
61,
61,
61,
39,
39,
39,
39,
12,
12,
12,
12
] | 16 | 3 | [
[
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[
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[
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[
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[
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] | {
"a": 7.896141052246094,
"b": 7.896141052246094,
"c": 7.896141052246094,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pm2YMg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399907 | [
"Pm",
"Tb",
"Pb"
] | [
65,
65,
65,
65,
61,
61,
61,
61,
61,
61,
61,
61,
82,
82,
82,
82
] | 16 | 3 | [
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0
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[
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[
0.5,
0,
0.5
],
[
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],
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0.5,
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[
0.5,
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0
],
[
0.5,
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]
] | {
"a": 7.825128078460693,
"b": 7.825128078460693,
"c": 7.825128078460693,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbPm2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399921 | [
"Nb",
"Ce",
"Pm"
] | [
58,
58,
58,
58,
61,
61,
61,
61,
61,
61,
61,
61,
41,
41,
41,
41
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
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] | {
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"b": 7.714747905731201,
"c": 7.714747905731201,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CePm2Nb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399933 | [
"Li",
"Pm",
"Gd"
] | [
3,
3,
3,
3,
61,
61,
61,
61,
61,
61,
61,
61,
64,
64,
64,
64
] | 16 | 3 | [
[
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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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"alpha": 90,
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} | 225 | LiPm2Gd | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_399947 | [
"Y",
"Pm",
"Eu"
] | [
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61,
61,
61,
61,
61,
61,
61,
63,
63,
63,
63,
39,
39,
39,
39
] | 16 | 3 | [
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0.25
],
[
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],
[
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[
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[
0.5,
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[
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] | {
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"b": 8.266424179077148,
"c": 8.266424179077148,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pm2EuY | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399961 | [
"Y",
"Ag",
"Pm"
] | [
61,
61,
61,
61,
61,
61,
61,
61,
39,
39,
39,
39,
47,
47,
47,
47
] | 16 | 3 | [
[
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],
[
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],
[
0.25,
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[
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[
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[
0.75,
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],
[
0,
0,
0
],
[
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0.5,
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],
[
0.5,
0,
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],
[
0.5,
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],
[
0,
0,
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.66102409362793,
"b": 7.66102409362793,
"c": 7.66102409362793,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pm2YAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399975 | [
"Te",
"Pm",
"Bi"
] | [
61,
61,
61,
61,
61,
61,
61,
61,
83,
83,
83,
83,
52,
52,
52,
52
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
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],
[
0.25,
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0.75
],
[
0.25,
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0.75
],
[
0.75,
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],
[
0.25,
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0.25
],
[
0.75,
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],
[
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0
],
[
0,
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],
[
0.5,
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[
0.5,
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[
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[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.79954195022583,
"b": 7.79954195022583,
"c": 7.79954195022583,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pm2BiTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_399992 | [
"Mn",
"Pm",
"Tm"
] | [
61,
61,
61,
61,
61,
61,
61,
61,
69,
69,
69,
69,
25,
25,
25,
25
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
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],
[
0.25,
0.25,
0.25
],
[
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],
[
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],
[
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],
[
0.75,
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],
[
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],
[
0,
0,
0
],
[
0,
0.5,
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],
[
0.5,
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],
[
0.5,
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],
[
0,
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.352753162384033,
"b": 7.352753162384033,
"c": 7.352753162384033,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pm2TmMn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_400004 | [
"Te",
"Pm",
"Pu"
] | [
61,
61,
61,
61,
61,
61,
61,
61,
94,
94,
94,
94,
52,
52,
52,
52
] | 16 | 3 | [
[
0.75,
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],
[
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0.25
],
[
0.75,
0.25,
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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,
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[
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[
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[
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[
0,
0.5,
0.5
],
[
0.5,
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0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.708166122436523,
"b": 7.708166122436523,
"c": 7.708166122436523,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pm2PuTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_400017 | [
"K",
"Nb",
"Pm"
] | [
19,
19,
19,
19,
61,
61,
61,
61,
61,
61,
61,
61,
41,
41,
41,
41
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
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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],
[
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[
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[
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],
[
0,
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],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.919958114624023,
"b": 7.919958114624023,
"c": 7.919958114624023,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KPm2Nb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_400028 | [
"Te",
"Pm",
"Tm"
] | [
61,
61,
61,
61,
61,
61,
61,
61,
69,
69,
69,
69,
52,
52,
52,
52
] | 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,
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0.75
],
[
0.75,
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0.75
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
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],
[
0.5,
0.5,
0
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[
0,
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0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.786880016326904,
"b": 7.786880016326904,
"c": 7.786880016326904,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pm2TmTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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