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_389116 | [
"Ge",
"Nb",
"Pr"
] | [
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] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2NbGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389134 | [
"Ti",
"In",
"Pr"
] | [
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59,
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59,
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22,
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] | 16 | 3 | [
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] | {
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"c": 7.6359639167785645,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2TiIn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389149 | [
"Mg",
"Pr",
"Th"
] | [
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59,
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59,
59,
59,
59,
90,
90,
90,
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12,
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12
] | 16 | 3 | [
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] | {
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"c": 8.015042304992676,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2ThMg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389171 | [
"Pr",
"Nd",
"Pm"
] | [
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61,
61,
61,
59,
59,
59,
59,
59,
59,
59,
59,
60,
60,
60,
60
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PmPr2Nd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389189 | [
"Ni",
"Pr",
"Au"
] | [
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59,
59,
59,
59,
59,
59,
59,
28,
28,
28,
28,
79,
79,
79,
79
] | 16 | 3 | [
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] | {
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"c": 7.275187969207764,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2NiAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389203 | [
"Ga",
"Cs",
"Pr"
] | [
55,
55,
55,
55,
59,
59,
59,
59,
59,
59,
59,
59,
31,
31,
31,
31
] | 16 | 3 | [
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] | {
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"b": 7.898670196533203,
"c": 7.898670196533203,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsPr2Ga | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389216 | [
"Ba",
"Pr",
"Ac"
] | [
56,
56,
56,
56,
89,
89,
89,
89,
59,
59,
59,
59,
59,
59,
59,
59
] | 16 | 3 | [
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] | {
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"b": 8.801300048828125,
"c": 8.801300048828125,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaAcPr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389231 | [
"K",
"Pr",
"Hf"
] | [
19,
19,
19,
19,
59,
59,
59,
59,
59,
59,
59,
59,
72,
72,
72,
72
] | 16 | 3 | [
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[
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] | {
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"b": 8.136741638183594,
"c": 8.136741638183594,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KPr2Hf | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389245 | [
"Ce",
"Pr",
"Ir"
] | [
58,
58,
58,
58,
59,
59,
59,
59,
59,
59,
59,
59,
77,
77,
77,
77
] | 16 | 3 | [
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] | {
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"b": 7.484747886657715,
"c": 7.484747886657715,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CePr2Ir | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389257 | [
"Pd",
"Pr",
"Np"
] | [
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59,
59,
59,
59,
59,
59,
59,
93,
93,
93,
93,
46,
46,
46,
46
] | 16 | 3 | [
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] | {
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"b": 7.44293212890625,
"c": 7.44293212890625,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2NpPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389270 | [
"Na",
"Rb",
"Pr"
] | [
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37,
37,
37,
11,
11,
11,
11,
59,
59,
59,
59,
59,
59,
59,
59
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbNaPr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389282 | [
"Cr",
"Pr",
"Tl"
] | [
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59,
59,
59,
59,
59,
59,
59,
81,
81,
81,
81,
24,
24,
24,
24
] | 16 | 3 | [
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[
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[
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] | {
"a": 7.606974124908447,
"b": 7.606974124908447,
"c": 7.606974124908447,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2TlCr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389297 | [
"Pr",
"Eu",
"Tl"
] | [
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59,
59,
59,
59,
59,
59,
59,
63,
63,
63,
63,
81,
81,
81,
81
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2EuTl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389313 | [
"Fe",
"Pr",
"Eu"
] | [
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59,
59,
59,
59,
59,
59,
59,
63,
63,
63,
63,
26,
26,
26,
26
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Pr2EuFe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389330 | [
"Pr",
"Hg",
"Th"
] | [
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59,
59,
59,
59,
59,
59,
59,
90,
90,
90,
90,
80,
80,
80,
80
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Pr2ThHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389344 | [
"Na",
"Ni",
"Pr"
] | [
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59,
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59,
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59,
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} | 225 | NaPr2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389359 | [
"Ti",
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"Pr"
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22,
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} | 225 | Pr2TiMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389373 | [
"Fe",
"Co",
"Pr"
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26,
26,
26,
27,
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27
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} | 225 | Pr2FeCo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389390 | [
"Fe",
"Te",
"Pr"
] | [
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59,
59,
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59,
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26,
26,
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} | 225 | Pr2FeTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389406 | [
"Mo",
"Pr",
"Th"
] | [
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59,
59,
59,
59,
90,
90,
90,
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42
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} | 225 | Pr2ThMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389423 | [
"Mg",
"Nb",
"Pr"
] | [
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59,
59,
59,
59,
59,
12,
12,
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41,
41,
41,
41
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"alpha": 90,
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} | 225 | Pr2MgNb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389439 | [
"Cs",
"Pr",
"Ta"
] | [
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55,
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59,
59,
59,
59,
59,
59,
59,
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73,
73,
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"alpha": 90,
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} | 225 | CsPr2Ta | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389455 | [
"V",
"Cr",
"Pr"
] | [
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59,
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59,
59,
59,
59,
59,
23,
23,
23,
23,
24,
24,
24,
24
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"alpha": 90,
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} | 225 | Pr2VCr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389465 | [
"Na",
"Pr",
"Ho"
] | [
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11,
59,
59,
59,
59,
59,
59,
59,
59,
67,
67,
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"alpha": 90,
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} | 225 | NaPr2Ho | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389479 | [
"Pr",
"Eu",
"Ho"
] | [
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59,
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59,
59,
59,
59,
59,
63,
63,
63,
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67,
67,
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67
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] | {
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"alpha": 90,
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} | 225 | Pr2EuHo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389494 | [
"Pr",
"Au",
"Tl"
] | [
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59,
59,
59,
59,
59,
59,
59,
81,
81,
81,
81,
79,
79,
79,
79
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Pr2TlAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389507 | [
"Cs",
"Pr",
"Bi"
] | [
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55,
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55,
59,
59,
59,
59,
59,
59,
59,
59,
83,
83,
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"alpha": 90,
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} | 225 | CsPr2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389522 | [
"Pr",
"Tm",
"Au"
] | [
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59,
59,
59,
59,
59,
59,
59,
69,
69,
69,
69,
79,
79,
79,
79
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Pr2TmAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389537 | [
"Na",
"Ge",
"Pr"
] | [
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11,
11,
11,
59,
59,
59,
59,
59,
59,
59,
59,
32,
32,
32,
32
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] | {
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"alpha": 90,
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} | 225 | NaPr2Ge | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389549 | [
"Ti",
"Pr",
"Nd"
] | [
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59,
59,
59,
59,
59,
59,
59,
60,
60,
60,
60,
22,
22,
22,
22
] | 16 | 3 | [
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} | 225 | Pr2NdTi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389561 | [
"Tc",
"Pr",
"U"
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} | 225 | Pr2UTc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389573 | [
"Pd",
"Cd",
"Pr"
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} | 225 | Pr2CdPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389588 | [
"Pr",
"Er",
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68,
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} | 225 | Pr2ErBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389603 | [
"Y",
"Ru",
"Pr"
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39,
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} | 225 | Pr2YRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389618 | [
"Sb",
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} | 225 | Pr2DySb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389636 | [
"Mg",
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} | 225 | RbPr2Mg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389649 | [
"Cr",
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64,
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} | 225 | Pr2GdCr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389666 | [
"Nb",
"Pr",
"Hf"
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72,
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"alpha": 90,
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} | 225 | Pr2HfNb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389682 | [
"Cd",
"Pr",
"Hf"
] | [
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59,
59,
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59,
72,
72,
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} | 225 | Pr2HfCd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389696 | [
"Cd",
"Pr",
"Dy"
] | [
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59,
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59,
59,
59,
59,
66,
66,
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48,
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} | 225 | Pr2DyCd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389710 | [
"Si",
"Te",
"Pr"
] | [
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59,
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59,
59,
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59,
14,
14,
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} | 225 | Pr2SiTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389731 | [
"Pr",
"Sm",
"Pa"
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59,
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59,
59,
59,
59,
62,
62,
62,
62,
91,
91,
91,
91
] | 16 | 3 | [
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} | 225 | Pr2SmPa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389746 | [
"Ni",
"Rh",
"Pr"
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59,
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59,
59,
59,
28,
28,
28,
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45,
45,
45,
45
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} | 225 | Pr2NiRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389757 | [
"Ru",
"Pr",
"W"
] | [
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59,
59,
59,
59,
59,
59,
59,
44,
44,
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44,
74,
74,
74,
74
] | 16 | 3 | [
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} | 225 | Pr2RuW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389770 | [
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tar:OQMD_389784 | [
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tar:OQMD_389799 | [
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tar:OQMD_389816 | [
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tar:OQMD_389827 | [
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tar:OQMD_389843 | [
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} | 225 | Pr2ErGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389859 | [
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"Y",
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} | 225 | LiPr2Y | general_inorganic | true | 4 | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_389875 | [
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tar:OQMD_389888 | [
"Pr",
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} | 225 | Pr2HoTl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389900 | [
"Ge",
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} | 225 | Pr2PuGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389916 | [
"Pr",
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} | 225 | TbPr2Pa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389929 | [
"Mg",
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} | 225 | Pr2MgMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389942 | [
"Ru",
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} | 225 | Pr2IrRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389955 | [
"Cs",
"Pr",
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} | 225 | CsPr2Tm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389970 | [
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} | 225 | LiPr2Sb | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_389989 | [
"Pr",
"Re",
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} | 225 | Pr2RePt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390003 | [
"Al",
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} | 225 | Pr2AlTl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390016 | [
"Zr",
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} | 225 | Pr2ZrTa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390031 | [
"Ru",
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} | 225 | Pr2EuRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390046 | [
"Pr",
"Pb",
"Pa"
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} | 225 | Pr2PaPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390062 | [
"Pr",
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} | 225 | Pr2DyBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390077 | [
"Fe",
"Pr",
"Dy"
] | [
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} | 225 | Pr2DyFe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390091 | [
"Rb",
"Nb",
"Pr"
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59,
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"alpha": 90,
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} | 225 | RbPr2Nb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390106 | [
"Li",
"Ag",
"Pr"
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} | 225 | LiPr2Ag | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_390120 | [
"Sc",
"In",
"Pr"
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21,
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} | 225 | Pr2ScIn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390132 | [
"Co",
"As",
"Pr"
] | [
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27,
27,
27,
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33
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} | 225 | Pr2CoAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390151 | [
"B",
"Cu",
"Pr"
] | [
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29,
29,
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"alpha": 90,
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} | 225 | Pr2CuB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390171 | [
"Al",
"Pr",
"Th"
] | [
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59,
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59,
90,
90,
90,
90,
13,
13,
13,
13
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"alpha": 90,
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} | 225 | Pr2ThAl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390182 | [
"V",
"Pr",
"Tm"
] | [
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59,
59,
59,
59,
59,
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69,
69,
69,
23,
23,
23,
23
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] | {
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} | 225 | Pr2TmV | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390197 | [
"Nb",
"Mo",
"Pr"
] | [
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59,
59,
59,
59,
59,
59,
59,
41,
41,
41,
41,
42,
42,
42,
42
] | 16 | 3 | [
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} | 225 | Pr2NbMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390213 | [
"Ce",
"Pr",
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tar:OQMD_390232 | [
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} | 225 | Pr2BAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390248 | [
"Pr",
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tar:OQMD_390267 | [
"Pr",
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tar:OQMD_390287 | [
"Ni",
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tar:OQMD_390301 | [
"Sc",
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} | 225 | PmPr2Sc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390313 | [
"Pr",
"Hf",
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} | 225 | Pr2HfBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390328 | [
"Ni",
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31,
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} | 225 | Pr2GaNi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390342 | [
"B",
"Ga",
"Pr"
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31,
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} | 225 | Pr2GaB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390355 | [
"Pr",
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91,
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} | 225 | Pr2PaOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390369 | [
"Cu",
"La",
"Pr"
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59,
59,
59,
59,
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59,
59,
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29,
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} | 225 | LaPr2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390385 | [
"Pr",
"Tm",
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59,
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69,
69,
69,
69,
71,
71,
71,
71
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} | 225 | Pr2TmLu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390400 | [
"Sb",
"Ba",
"Pr"
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56,
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56,
59,
59,
59,
59,
59,
59,
59,
59,
51,
51,
51,
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"alpha": 90,
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} | 225 | BaPr2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390415 | [
"Ca",
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89,
89,
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89,
59,
59,
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59,
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} | 225 | CaAcPr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390430 | [
"Zr",
"Pr",
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59,
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80,
80
] | 16 | 3 | [
[
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0.75
],
[
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0.25,
0.75
],
[
0.25,
0.25,
0.25
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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,
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[
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] | {
"a": 7.631132125854492,
"b": 7.631132125854492,
"c": 7.631132125854492,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2ZrHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390444 | [
"Mn",
"Pr",
"Tb"
] | [
65,
65,
65,
65,
59,
59,
59,
59,
59,
59,
59,
59,
25,
25,
25,
25
] | 16 | 3 | [
[
0,
0,
0
],
[
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0.5
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[
0.5,
0,
0.5
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[
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[
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[
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[
0,
0.5,
0
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[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
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"b": 7.461299896240234,
"c": 7.461299896240234,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbPr2Mn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390459 | [
"Si",
"Zn",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
30,
30,
30,
30,
14,
14,
14,
14
] | 16 | 3 | [
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0.75,
0.75
],
[
0.25,
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,
0,
0
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[
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[
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[
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0
],
[
0,
0,
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[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
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0.5
]
] | {
"a": 7.328725814819336,
"b": 7.328725814819336,
"c": 7.328725814819336,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2ZnSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390476 | [
"Pr",
"Lu",
"Au"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
71,
71,
71,
71,
79,
79,
79,
79
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
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],
[
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0.25,
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[
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[
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[
0,
0.5,
0
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[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
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"b": 7.612602233886719,
"c": 7.612602233886719,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2LuAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390490 | [
"Rh",
"Pr",
"Pm"
] | [
61,
61,
61,
61,
59,
59,
59,
59,
59,
59,
59,
59,
45,
45,
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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0,
0.5
],
[
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0
]
] | {
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"c": 7.489480018615723,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PmPr2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390502 | [
"Li",
"Pr",
"Np"
] | [
3,
3,
3,
3,
59,
59,
59,
59,
59,
59,
59,
59,
93,
93,
93,
93
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
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[
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[
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[
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],
[
0.5,
0,
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],
[
0.5,
0.5,
0
]
] | {
"a": 7.5520219802856445,
"b": 7.5520219802856445,
"c": 7.5520219802856445,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiPr2Np | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_390521 | [
"Pr",
"Hf",
"Pa"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
72,
72,
72,
72,
91,
91,
91,
91
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
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],
[
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],
[
0.25,
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0.75
],
[
0.75,
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0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
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
]
] | {
"a": 7.713503837585449,
"b": 7.713503837585449,
"c": 7.713503837585449,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2HfPa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390537 | [
"Ru",
"Pr",
"Pb"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
44,
44,
44,
44,
82,
82,
82,
82
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
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
]
] | {
"a": 7.501954078674316,
"b": 7.501954078674316,
"c": 7.501954078674316,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2RuPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390556 | [
"Si",
"Co",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
27,
27,
27,
27,
14,
14,
14,
14
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
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
]
] | {
"a": 7.169308185577393,
"b": 7.169308185577393,
"c": 7.169308185577393,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2CoSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390573 | [
"Pr",
"Ho",
"Bi"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
67,
67,
67,
67,
83,
83,
83,
83
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
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],
[
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0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.921926021575928,
"b": 7.921926021575928,
"c": 7.921926021575928,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2HoBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390586 | [
"Si",
"Cu",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
29,
29,
29,
29,
14,
14,
14,
14
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
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
]
] | {
"a": 7.259215831756592,
"b": 7.259215831756592,
"c": 7.259215831756592,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2CuSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_390600 | [
"Pr",
"Eu",
"Ir"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
63,
63,
63,
63,
77,
77,
77,
77
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
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
]
] | {
"a": 7.418941974639893,
"b": 7.418941974639893,
"c": 7.418941974639893,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2EuIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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