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_372185 | [
"B",
"Pd",
"Tl"
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] | {
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"c": 6.80456018447876,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Tl2BPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372198 | [
"Ba",
"Ce",
"Tl"
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"alpha": 90,
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"gamma": 90
} | 225 | BaCeTl2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372223 | [
"Cu",
"Tl",
"Bi"
] | [
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81,
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81,
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"alpha": 90,
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"gamma": 90
} | 225 | Tl2CuBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372238 | [
"Zr",
"Cd",
"Tl"
] | [
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"alpha": 90,
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} | 225 | ZrTl2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_1c1xfTtpBoPTski53MpZs0kJFvOB | [
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"Mo",
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] | {
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"alpha": 90,
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} | 225 | RbTl2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_rm2TjURxjdTe60Y7YlLrUo_9QaRd | [
"Cd",
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81,
81,
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81,
81,
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48,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | AcTl2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372285 | [
"V",
"Tm",
"Tl"
] | [
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69,
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81,
81,
81,
81,
81,
81,
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23,
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] | 16 | 3 | [
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"alpha": 90,
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} | 225 | TmTl2V | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_iv4Cs0gl0pffR1JkECqatdfY3g-G | [
"Sb",
"Sm",
"Tl"
] | [
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62,
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81,
81,
81,
81,
81,
81,
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51,
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"alpha": 90,
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} | 225 | SmTl2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_mo6jZwS7kGfKNGLe8xS2shu0SYEE | [
"Tc",
"Eu",
"Tl"
] | [
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81,
81,
81,
81,
81,
81,
81,
81,
43,
43,
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] | {
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"alpha": 90,
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} | 225 | EuTl2Tc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372335 | [
"B",
"As",
"Tl"
] | [
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81,
81,
81,
81,
81,
81,
81,
5,
5,
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5,
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33,
33,
33
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Tl2BAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372350 | [
"Os",
"Tl",
"Ac"
] | [
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81,
81,
81,
81,
81,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | AcTl2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Tf_vFuY2SMiuKN8WEmEy1L1TSnPh | [
"Ge",
"Yb",
"Tl"
] | [
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81,
81,
81,
81,
81,
81,
81,
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32,
32,
32,
32
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | YbTl2Ge | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372381 | [
"Zn",
"Ag",
"Tl"
] | [
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81,
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81,
81,
81,
81,
30,
30,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Tl2ZnAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372395 | [
"Cd",
"Tl",
"Bi"
] | [
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81,
81,
81,
81,
48,
48,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Tl2CdBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372409 | [
"Ag",
"Tl",
"Pb"
] | [
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] | 16 | 3 | [
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tar:OQMD_372423 | [
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tar:OQMD_372437 | [
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tar:OQMD_372451 | [
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tar:OQMD_372481 | [
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tar:OQMD_372497 | [
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tar:OQMD_372511 | [
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tar:OQMD_372524 | [
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tar:OQMD_372539 | [
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tar:NOMAD_5C0dXFHSSXgIspyUTH3n3OKl5iTn | [
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tar:NOMAD_-MzMICaXTtGsN_biAbS9g7FI2u6b | [
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tar:OQMD_372599 | [
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tar:NOMAD_n6dOMGKLrsEF4o76gagniar8XI-l | [
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tar:OQMD_372627 | [
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tar:NOMAD_gc0kjpBWwLjRXQegmbph-qd6nQpj | [
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tar:OQMD_372653 | [
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tar:OQMD_372671 | [
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tar:OQMD_372689 | [
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81,
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} | 225 | ScTl2B | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372700 | [
"Nb",
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81,
81,
81,
81,
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} | 225 | NbTl2In | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372716 | [
"Mg",
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81,
81,
81,
81,
81,
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tar:NOMAD_ATosz04M6v16XvGsm4ty5C8znW_f | [
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} | 225 | AcTbTl2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372745 | [
"Rh",
"W",
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] | [
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81,
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81,
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81,
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45,
45,
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} | 225 | Tl2RhW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372757 | [
"As",
"La",
"Tl"
] | [
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57,
81,
81,
81,
81,
81,
81,
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33,
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} | 225 | LaTl2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372769 | [
"Sn",
"Hg",
"Tl"
] | [
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81,
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81,
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81,
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} | 225 | Tl2SnHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372784 | [
"Zr",
"Tb",
"Tl"
] | [
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65,
40,
40,
40,
40,
81,
81,
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81,
81,
81,
81,
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} | 225 | TbZrTl2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372817 | [
"Mg",
"Ni",
"Tl"
] | [
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12,
81,
81,
81,
81,
81,
81,
81,
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28,
28,
28
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} | 225 | MgTl2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372831 | [
"Mg",
"Sn",
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] | [
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12,
81,
81,
81,
81,
81,
81,
81,
81,
50,
50,
50,
50
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] | {
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"alpha": 90,
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} | 225 | MgTl2Sn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372848 | [
"Gd",
"W",
"Tl"
] | [
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64,
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64,
81,
81,
81,
81,
81,
81,
81,
81,
74,
74,
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74
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | GdTl2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_372859 | [
"Al",
"Ge",
"Tl"
] | [
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13,
13,
13,
81,
81,
81,
81,
81,
81,
81,
81,
32,
32,
32,
32
] | 16 | 3 | [
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tar:OQMD_372872 | [
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tar:OQMD_372887 | [
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tar:OQMD_372921 | [
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tar:NOMAD_e1A2-Ga1yua4-Kl_KGJ_FZly3NBe | [
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tar:NOMAD_3ioxjMYP1exlbzwfWaHaJuQdc28s | [
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tar:NOMAD_b-hpP9mLzXGL-O1Z89CrkSbzdiMH | [
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tar:OQMD_372979 | [
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tar:OQMD_372991 | [
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tar:OQMD_373012 | [
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tar:OQMD_373029 | [
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tar:OQMD_373041 | [
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tar:OQMD_373055 | [
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tar:OQMD_373073 | [
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} | 225 | RbUTl2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373085 | [
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81,
81,
81,
81,
81,
81,
81,
81,
23,
23,
23,
23
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"alpha": 90,
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} | 225 | YbTl2V | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373099 | [
"Te",
"Au",
"Tl"
] | [
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81,
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81,
81,
81,
81,
81,
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52,
52,
52,
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79,
79,
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] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Tl2TeAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373117 | [
"Ni",
"Tl",
"Np"
] | [
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93,
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93,
81,
81,
81,
81,
81,
81,
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81,
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28,
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"alpha": 90,
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} | 225 | NpTl2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_WyN5Iki_yadt5NnYImoYISCdKLCy | [
"B",
"Tl",
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] | [
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81,
81,
81,
81,
81,
81,
81,
81,
5,
5,
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] | {
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"alpha": 90,
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} | 225 | AcTl2B | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_O-nFi_o6GvnyLc6PRhuhcYBNrv7d | [
"Re",
"Tl",
"Pa"
] | [
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91,
91,
91,
81,
81,
81,
81,
81,
81,
81,
81,
75,
75,
75,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | PaTl2Re | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373180 | [
"Gd",
"Tl",
"Pa"
] | [
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64,
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64,
91,
91,
91,
91,
81,
81,
81,
81,
81,
81,
81,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | GdPaTl2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373195 | [
"Ba",
"Ho",
"Tl"
] | [
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56,
56,
56,
67,
67,
67,
67,
81,
81,
81,
81,
81,
81,
81,
81
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | BaHoTl2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373210 | [
"K",
"Cu",
"Tl"
] | [
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19,
19,
19,
81,
81,
81,
81,
81,
81,
81,
81,
29,
29,
29,
29
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | KTl2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373225 | [
"Mo",
"Ce",
"Tl"
] | [
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58,
58,
58,
81,
81,
81,
81,
81,
81,
81,
81,
42,
42,
42,
42
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | CeTl2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373241 | [
"Fe",
"Tb",
"Tl"
] | [
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65,
65,
65,
81,
81,
81,
81,
81,
81,
81,
81,
26,
26,
26,
26
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | TbTl2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_eTE2JGbAxCnAb1zc9yfjsih8uaWg | [
"Mo",
"Ho",
"Tl"
] | [
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67,
67,
67,
81,
81,
81,
81,
81,
81,
81,
81,
42,
42,
42,
42
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | HoTl2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373268 | [
"Cr",
"La",
"Tl"
] | [
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57,
57,
57,
81,
81,
81,
81,
81,
81,
81,
81,
24,
24,
24,
24
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | LaTl2Cr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373288 | [
"Ni",
"Tl",
"Pb"
] | [
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81,
81,
81,
81,
81,
81,
81,
28,
28,
28,
28,
82,
82,
82,
82
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Tl2NiPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373305 | [
"Si",
"Tm",
"Tl"
] | [
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69,
69,
69,
81,
81,
81,
81,
81,
81,
81,
81,
14,
14,
14,
14
] | 16 | 3 | [
[
0,
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0
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[
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | TmTl2Si | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373394 | [
"Li",
"Zr",
"Tl"
] | [
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3,
3,
3,
40,
40,
40,
40,
81,
81,
81,
81,
81,
81,
81,
81
] | 16 | 3 | [
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0,
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} | 225 | LiZrTl2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:NOMAD_fTEWRTVOjSq327hJCxOQvo8wJWA- | [
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} | 225 | PaTaTl2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_aQkSyJogGRCndsXslaQXZmxChaco | [
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62,
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} | 225 | AcPmSm2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373437 | [
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} | 225 | Sm2ReRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_WXk26X9zfiVVOpxKT9G3_1c0dR4O | [
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62,
62,
62,
62,
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} | 225 | SrSm2Hg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373466 | [
"Co",
"Rh",
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62,
62,
62,
27,
27,
27,
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45,
45,
45,
45
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"alpha": 90,
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} | 225 | Sm2CoRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373481 | [
"Pd",
"In",
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62,
62,
62,
62,
62,
49,
49,
49,
49,
46,
46,
46,
46
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Sm2InPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373495 | [
"Rb",
"Y",
"Sm"
] | [
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37,
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37,
62,
62,
62,
62,
62,
62,
62,
62,
39,
39,
39,
39
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"alpha": 90,
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} | 225 | RbSm2Y | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373509 | [
"In",
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"Sm"
] | [
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61,
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61,
62,
62,
62,
62,
62,
62,
62,
62,
49,
49,
49,
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"alpha": 90,
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} | 225 | PmSm2In | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373519 | [
"Ce",
"Sm",
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] | [
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58,
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58,
62,
62,
62,
62,
62,
62,
62,
62,
69,
69,
69,
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"alpha": 90,
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} | 225 | CeSm2Tm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_SPCkh3qeTRH0-mhYm7xJJgABD6Eg | [
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62,
62,
62,
62,
62,
90,
90,
90,
90,
4,
4,
4,
4
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Sm2ThBe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373544 | [
"Sm",
"Ta",
"Pb"
] | [
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62,
62,
62,
62,
62,
62,
62,
73,
73,
73,
73,
82,
82,
82,
82
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Sm2TaPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373553 | [
"Sm",
"Ta",
"W"
] | [
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62,
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62,
62,
62,
62,
62,
73,
73,
73,
73,
74,
74,
74,
74
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Sm2TaW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373565 | [
"Cu",
"Sm",
"Pa"
] | [
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62,
62,
62,
62,
62,
62,
62,
91,
91,
91,
91,
29,
29,
29,
29
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Sm2PaCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_kTkGaQd7JtUcuszFQRSDtrzxtE0a | [
"Sm",
"Eu",
"W"
] | [
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62,
62,
62,
62,
62,
62,
62,
63,
63,
63,
63,
74,
74,
74,
74
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Sm2EuW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_DsJQO_J8qxlHoEKvGmKf-TD8zlAS | [
"Ge",
"Y",
"Sm"
] | [
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62,
62,
62,
62,
62,
62,
62,
39,
39,
39,
39,
32,
32,
32,
32
] | 16 | 3 | [
[
0.25,
0.75,
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],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
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[
0.75,
0.25,
0.25
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[
0.75,
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[
0.75,
0.75,
0.75
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
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[
0.5,
0.5,
0
],
[
0,
0,
0.5
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[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.582385540008545,
"b": 7.582385540008545,
"c": 7.582385540008545,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sm2YGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373612 | [
"B",
"Sm",
"Pb"
] | [
62,
62,
62,
62,
62,
62,
62,
62,
5,
5,
5,
5,
82,
82,
82,
82
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
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[
0.25,
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[
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0.75,
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[
0.25,
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[
0,
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0
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[
0,
0,
0.5
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[
0.5,
0.5,
0.5
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[
0.5,
0,
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[
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[
0,
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[
0.5,
0,
0.5
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[
0.5,
0.5,
0
]
] | {
"a": 7.322261810302734,
"b": 7.322261810302734,
"c": 7.322261810302734,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sm2BPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373629 | [
"B",
"In",
"Sm"
] | [
62,
62,
62,
62,
62,
62,
62,
62,
49,
49,
49,
49,
5,
5,
5,
5
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
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[
0.25,
0.75,
0.25
],
[
0.75,
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0.25
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[
0.75,
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0.25
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[
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[
0.75,
0.75,
0.75
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[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
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[
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[
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[
0,
0.5,
0
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[
0.5,
0,
0
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[
0.5,
0.5,
0.5
]
] | {
"a": 7.209705829620361,
"b": 7.209705829620361,
"c": 7.209705829620361,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sm2InB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD__kQFQLI2MAYFbfQvIKOi_9jhpA19 | [
"Fe",
"Sm",
"Er"
] | [
62,
62,
62,
62,
62,
62,
62,
62,
68,
68,
68,
68,
26,
26,
26,
26
] | 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": 7.310338973999023,
"b": 7.310338973999023,
"c": 7.310338973999023,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sm2ErFe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_9ieFYu3UpxQNbMdIN1E67zN0R4uv | [
"Na",
"Sm",
"Tb"
] | [
11,
11,
11,
11,
65,
65,
65,
65,
62,
62,
62,
62,
62,
62,
62,
62
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
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],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] | {
"a": 8.025500297546387,
"b": 8.025500297546387,
"c": 8.025500297546387,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaTbSm2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373678 | [
"Ge",
"Sm",
"Pa"
] | [
62,
62,
62,
62,
62,
62,
62,
62,
91,
91,
91,
91,
32,
32,
32,
32
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
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0.25
],
[
0.75,
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0.25
],
[
0.75,
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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": 7.466119766235352,
"b": 7.466119766235352,
"c": 7.466119766235352,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sm2PaGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_FqZzUO5r3P1DHs8_5gpsjVC3ZCEV | [
"Be",
"Zn",
"Sm"
] | [
62,
62,
62,
62,
62,
62,
62,
62,
4,
4,
4,
4,
30,
30,
30,
30
] | 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,
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0.75
],
[
0.25,
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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": 7.094669818878174,
"b": 7.094669818878174,
"c": 7.094669818878174,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sm2BeZn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373706 | [
"Sm",
"Gd",
"Pb"
] | [
62,
62,
62,
62,
62,
62,
62,
62,
64,
64,
64,
64,
82,
82,
82,
82
] | 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": 7.805153846740723,
"b": 7.805153846740723,
"c": 7.805153846740723,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sm2GdPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_lSUVJ5ChuW5eISWVwJjHSBM6qZjT | [
"In",
"Nd",
"Sm"
] | [
60,
60,
60,
60,
62,
62,
62,
62,
62,
62,
62,
62,
49,
49,
49,
49
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.819767475128174,
"b": 7.819767475128174,
"c": 7.819767475128174,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdSm2In | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_64hn0nnFEv0h9l6oe8WwiYdOKj_X | [
"In",
"Sm",
"Pb"
] | [
62,
62,
62,
62,
62,
62,
62,
62,
49,
49,
49,
49,
82,
82,
82,
82
] | 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": 7.670044898986816,
"b": 7.670044898986816,
"c": 7.670044898986816,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sm2InPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_VwvtKFrVCcikVt780B_1IlPvnsOL | [
"Sn",
"Pr",
"Sm"
] | [
59,
59,
59,
59,
62,
62,
62,
62,
62,
62,
62,
62,
50,
50,
50,
50
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.812751293182373,
"b": 7.812751293182373,
"c": 7.812751293182373,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrSm2Sn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_373786 | [
"Rb",
"Sb",
"Sm"
] | [
37,
37,
37,
37,
62,
62,
62,
62,
62,
62,
62,
62,
51,
51,
51,
51
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.895788192749023,
"b": 7.895788192749023,
"c": 7.895788192749023,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbSm2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_HqAw4io1QbzFqP44sN3Meear1DF3 | [
"Na",
"Fe",
"Sm"
] | [
11,
11,
11,
11,
62,
62,
62,
62,
62,
62,
62,
62,
26,
26,
26,
26
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
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,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.169893264770508,
"b": 7.169893264770508,
"c": 7.169893264770508,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaSm2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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