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_381487 | [
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tar:OQMD_381501 | [
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tar:OQMD_381516 | [
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} | 225 | BaYb2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381530 | [
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} | 225 | Yb2PuW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381545 | [
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} | 225 | Yb2HoAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381559 | [
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"Tm",
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} | 225 | Yb2TmCo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381575 | [
"Yb",
"Ta",
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} | 225 | AcYb2Ta | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381587 | [
"Pd",
"Yb",
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} | 225 | Yb2PuPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381603 | [
"Li",
"As",
"Yb"
] | [
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} | 225 | LiYb2As | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_381618 | [
"Fe",
"Yb",
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} | 225 | Yb2FeHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381638 | [
"Ge",
"Pr",
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} | 225 | Yb2PrGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381652 | [
"Yb",
"Hg",
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"alpha": 90,
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} | 225 | Yb2ThHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381669 | [
"Eu",
"Yb",
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} | 225 | Yb2EuPa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381684 | [
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} | 225 | Yb2UPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381702 | [
"Yb",
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tar:OQMD_381713 | [
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tar:OQMD_381728 | [
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tar:OQMD_381743 | [
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tar:OQMD_381755 | [
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tar:OQMD_381770 | [
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tar:OQMD_381783 | [
"Cr",
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} | 225 | Yb2CrRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381798 | [
"Cs",
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} | 225 | CsYb2Gd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381824 | [
"Yb",
"W",
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tar:OQMD_381836 | [
"Tc",
"Sm",
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} | 225 | Yb2SmTc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381853 | [
"Ge",
"Yb",
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} | 225 | Yb2GePt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381867 | [
"Cs",
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} | 225 | CsYb2Pm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381882 | [
"Li",
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} | 225 | LiYb2Pa | general_inorganic | true | 4 | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_381898 | [
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} | 225 | Yb2CrSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381912 | [
"Sb",
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} | 225 | Yb2SbTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381925 | [
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28,
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76,
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} | 225 | Yb2NiOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381940 | [
"Ca",
"La",
"Yb"
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70,
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"alpha": 90,
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} | 225 | CaLaYb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381960 | [
"Li",
"Yb",
"Lu"
] | [
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70,
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70,
70,
70,
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} | 225 | LiYb2Lu | general_inorganic | true | 4 | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_381976 | [
"Cr",
"Gd",
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70,
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64,
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24,
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"alpha": 90,
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} | 225 | Yb2GdCr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_381990 | [
"Ge",
"Yb",
"Hf"
] | [
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70,
70,
70,
70,
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72,
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72,
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32,
32,
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"alpha": 90,
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} | 225 | Yb2HfGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382003 | [
"Si",
"Sn",
"Yb"
] | [
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70,
70,
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70,
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14,
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} | 225 | Yb2SiSn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382020 | [
"Pm",
"Yb",
"Au"
] | [
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70,
70,
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70,
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61,
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] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Yb2PmAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382032 | [
"Zr",
"Yb",
"U"
] | [
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70,
70,
70,
70,
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40,
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40,
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92,
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] | {
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"alpha": 90,
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} | 225 | Yb2ZrU | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382045 | [
"K",
"Cd",
"Yb"
] | [
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19,
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19,
70,
70,
70,
70,
70,
70,
70,
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48,
48,
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] | {
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"alpha": 90,
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} | 225 | KYb2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382057 | [
"Cr",
"Sr",
"Yb"
] | [
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38,
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38,
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70,
70,
70,
70,
70,
70,
70,
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24,
24,
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] | {
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"alpha": 90,
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} | 225 | SrYb2Cr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382071 | [
"Ca",
"Pd",
"Yb"
] | [
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70,
70,
70,
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70,
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"alpha": 90,
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} | 225 | CaYb2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382083 | [
"Ru",
"Yb",
"W"
] | [
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44,
44,
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] | {
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"alpha": 90,
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} | 225 | Yb2RuW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382098 | [
"Mn",
"Tm",
"Yb"
] | [
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70,
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70,
69,
69,
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69,
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25,
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] | {
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"alpha": 90,
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} | 225 | Yb2TmMn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382111 | [
"Te",
"Yb",
"Pu"
] | [
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70,
70,
70,
70,
94,
94,
94,
94,
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52,
52,
52
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Yb2PuTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382123 | [
"Pr",
"Sm",
"Yb"
] | [
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70,
70,
70,
70,
70,
70,
70,
59,
59,
59,
59,
62,
62,
62,
62
] | 16 | 3 | [
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} | 225 | Yb2PrSm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382138 | [
"Eu",
"Yb",
"Ta"
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70,
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63,
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} | 225 | Yb2EuTa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382148 | [
"B",
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} | 225 | LaYb2B | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382161 | [
"Ge",
"Tc",
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} | 225 | Yb2TcGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382174 | [
"K",
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} | 225 | KYb2U | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382187 | [
"Dy",
"Yb",
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} | 225 | Yb2DyPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382202 | [
"Li",
"Sm",
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] | [
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} | 225 | LiYb2Sm | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_382214 | [
"Ni",
"Tm",
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} | 225 | Yb2TmNi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382229 | [
"Ge",
"Yb",
"Pu"
] | [
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} | 225 | Yb2PuGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382242 | [
"Tc",
"Yb",
"Hg"
] | [
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70,
70,
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70,
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43,
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} | 225 | Yb2TcHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382254 | [
"Co",
"Cu",
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] | [
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70,
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70,
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27,
27,
27,
29,
29,
29,
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} | 225 | Yb2CoCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382269 | [
"Pr",
"Yb",
"Bi"
] | [
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70,
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70,
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59,
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83,
83,
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} | 225 | Yb2PrBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382283 | [
"Li",
"Ti",
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] | [
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70,
70,
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70,
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} | 225 | LiYb2Ti | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_382298 | [
"Ge",
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} | 225 | LaYb2Ge | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382311 | [
"Ru",
"Yb",
"Tl"
] | [
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70,
81,
81,
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44
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} | 225 | Yb2TlRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382340 | [
"Mo",
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] | [
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42,
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} | 225 | Yb2MoIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382352 | [
"In",
"Yb",
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70,
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tar:OQMD_382401 | [
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tar:OQMD_382412 | [
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} | 225 | Yb2SnGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382425 | [
"Cu",
"Gd",
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64,
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29,
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} | 225 | Yb2GdCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382440 | [
"Ga",
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70,
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} | 225 | Yb2GaPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382454 | [
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} | 225 | CsYb2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382471 | [
"As",
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} | 225 | Yb2AsPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382484 | [
"Sc",
"Yb",
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70,
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70,
70,
90,
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} | 225 | Yb2ThSc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382502 | [
"Ni",
"Yb",
"Tl"
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70,
70,
70,
70,
81,
81,
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} | 225 | Yb2TlNi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382513 | [
"Zn",
"Yb",
"Hf"
] | [
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70,
70,
70,
70,
72,
72,
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72,
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30,
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} | 225 | Yb2HfZn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382529 | [
"V",
"Ga",
"Yb"
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70,
70,
70,
70,
23,
23,
23,
23,
31,
31,
31,
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} | 225 | Yb2VGa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382542 | [
"Sr",
"Pm",
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70,
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70,
70,
70,
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61,
61,
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} | 225 | SrYb2Pm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382554 | [
"Cu",
"Yb",
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70,
70,
70,
70,
29,
29,
29,
29,
79,
79,
79,
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"alpha": 90,
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} | 225 | Yb2CuAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382565 | [
"Li",
"Zn",
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] | [
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70,
70,
70,
70,
70,
70,
70,
70,
30,
30,
30,
30
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} | 225 | LiYb2Zn | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_382583 | [
"Na",
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39
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"alpha": 90,
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} | 225 | NaYb2Y | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382599 | [
"Tc",
"Yb",
"Bi"
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70,
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70,
70,
70,
70,
43,
43,
43,
43,
83,
83,
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"alpha": 90,
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} | 225 | Yb2TcBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382610 | [
"As",
"Cd",
"Yb"
] | [
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70,
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70,
70,
70,
70,
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48,
48,
48,
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"alpha": 90,
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} | 225 | Yb2CdAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382628 | [
"Al",
"Ba",
"Yb"
] | [
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56,
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56,
70,
70,
70,
70,
70,
70,
70,
70,
13,
13,
13,
13
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"alpha": 90,
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} | 225 | BaYb2Al | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382642 | [
"Zn",
"Yb",
"Lu"
] | [
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70,
70,
70,
70,
70,
70,
70,
71,
71,
71,
71,
30,
30,
30,
30
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Yb2LuZn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382658 | [
"In",
"Yb",
"Ta"
] | [
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70,
70,
70,
70,
70,
70,
70,
73,
73,
73,
73,
49,
49,
49,
49
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"alpha": 90,
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} | 225 | Yb2TaIn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382674 | [
"Mg",
"Co",
"Yb"
] | [
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70,
70,
70,
70,
70,
70,
70,
12,
12,
12,
12,
27,
27,
27,
27
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"alpha": 90,
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} | 225 | Yb2MgCo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382692 | [
"Fe",
"Yb",
"Pa"
] | [
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70,
70,
70,
70,
70,
70,
70,
91,
91,
91,
91,
26,
26,
26,
26
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Yb2PaFe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382706 | [
"Sc",
"Cu",
"Yb"
] | [
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70,
70,
70,
70,
70,
70,
70,
21,
21,
21,
21,
29,
29,
29,
29
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Yb2ScCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382722 | [
"Tb",
"Yb",
"Hf"
] | [
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65,
65,
65,
70,
70,
70,
70,
70,
70,
70,
70,
72,
72,
72,
72
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | TbYb2Hf | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382734 | [
"Nb",
"Er",
"Yb"
] | [
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70,
70,
70,
70,
70,
70,
70,
68,
68,
68,
68,
41,
41,
41,
41
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Yb2ErNb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382751 | [
"Sr",
"Yb",
"Th"
] | [
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38,
38,
38,
70,
70,
70,
70,
70,
70,
70,
70,
90,
90,
90,
90
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | SrYb2Th | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382765 | [
"Cd",
"Yb",
"Os"
] | [
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70,
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70,
70,
70,
70,
70,
48,
48,
48,
48,
76,
76,
76,
76
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Yb2CdOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382781 | [
"Ti",
"Yb",
"Os"
] | [
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70,
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70,
70,
70,
70,
70,
22,
22,
22,
22,
76,
76,
76,
76
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Yb2TiOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382802 | [
"V",
"Dy",
"Yb"
] | [
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70,
70,
70,
70,
70,
70,
70,
66,
66,
66,
66,
23,
23,
23,
23
] | 16 | 3 | [
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] | {
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"b": 7.695054054260254,
"c": 7.695054054260254,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2DyV | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382820 | [
"Ru",
"Yb",
"Re"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
75,
75,
75,
75,
44,
44,
44,
44
] | 16 | 3 | [
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0.25
],
[
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0.25
],
[
0.75,
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[
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[
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[
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] | {
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"c": 6.799059867858887,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2ReRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382834 | [
"Pr",
"Gd",
"Yb"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
59,
59,
59,
59,
64,
64,
64,
64
] | 16 | 3 | [
[
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0.75,
0.75
],
[
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],
[
0.25,
0.25,
0.25
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[
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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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[
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0.5,
0
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[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 8.299703598022461,
"b": 8.299703598022461,
"c": 8.299703598022461,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2PrGd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382847 | [
"Yb",
"Hf",
"Pa"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
72,
72,
72,
72,
91,
91,
91,
91
] | 16 | 3 | [
[
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0.75,
0.25
],
[
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,
0,
0.5
],
[
0.5,
0.5,
0
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] | {
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"b": 7.6770100593566895,
"c": 7.6770100593566895,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2HfPa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382856 | [
"Co",
"Pr",
"Yb"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
59,
59,
59,
59,
27,
27,
27,
27
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
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],
[
0.25,
0.25,
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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[
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[
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0.5,
0
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[
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],
[
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0.5
]
] | {
"a": 7.34335994720459,
"b": 7.34335994720459,
"c": 7.34335994720459,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2PrCo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382868 | [
"Zr",
"Yb",
"Tl"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
40,
40,
40,
40,
81,
81,
81,
81
] | 16 | 3 | [
[
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0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
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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
],
[
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0.5,
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],
[
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[
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[
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[
0,
0.5,
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[
0.5,
0,
0
],
[
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0.5
]
] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2ZrTl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382886 | [
"Gd",
"Ho",
"Yb"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
64,
64,
64,
64,
67,
67,
67,
67
] | 16 | 3 | [
[
0.75,
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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[
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[
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[
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0,
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],
[
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0
]
] | {
"a": 8.144461631774902,
"b": 8.144461631774902,
"c": 8.144461631774902,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2GdHo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382895 | [
"K",
"Sm",
"Yb"
] | [
19,
19,
19,
19,
70,
70,
70,
70,
70,
70,
70,
70,
62,
62,
62,
62
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
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[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
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0.25
],
[
0.25,
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],
[
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],
[
0.25,
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0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
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0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
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0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 8.785606384277344,
"b": 8.785606384277344,
"c": 8.785606384277344,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KYb2Sm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382909 | [
"Rb",
"Yb",
"Tl"
] | [
37,
37,
37,
37,
70,
70,
70,
70,
70,
70,
70,
70,
81,
81,
81,
81
] | 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,
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0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
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0.75
],
[
0.75,
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],
[
0.25,
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[
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],
[
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],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 8.172342300415039,
"b": 8.172342300415039,
"c": 8.172342300415039,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbYb2Tl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382926 | [
"Nb",
"Yb",
"Ir"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
41,
41,
41,
41,
77,
77,
77,
77
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
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],
[
0.25,
0.25,
0.25
],
[
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],
[
0.75,
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0.25
],
[
0.75,
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0.25
],
[
0.75,
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0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0
],
[
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0.5,
0.5
],
[
0.5,
0,
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],
[
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0.5,
0
],
[
0,
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 6.939248085021973,
"b": 6.939248085021973,
"c": 6.939248085021973,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Yb2NbIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382944 | [
"La",
"Tm",
"Yb"
] | [
57,
57,
57,
57,
70,
70,
70,
70,
70,
70,
70,
70,
69,
69,
69,
69
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
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0.25
],
[
0.25,
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0.25
],
[
0.75,
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],
[
0.25,
0.25,
0.75
],
[
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],
[
0.75,
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],
[
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[
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[
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],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 8.291675567626953,
"b": 8.291675567626953,
"c": 8.291675567626953,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaYb2Tm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382961 | [
"Sr",
"Cd",
"Yb"
] | [
38,
38,
38,
38,
70,
70,
70,
70,
70,
70,
70,
70,
48,
48,
48,
48
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
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0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
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0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
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0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
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0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 8.068734169006348,
"b": 8.068734169006348,
"c": 8.068734169006348,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrYb2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_382975 | [
"Ba",
"Pr",
"Yb"
] | [
56,
56,
56,
56,
70,
70,
70,
70,
70,
70,
70,
70,
59,
59,
59,
59
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
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0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
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0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
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0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
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0.25
],
[
0,
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0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 8.787458419799805,
"b": 8.787458419799805,
"c": 8.787458419799805,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaYb2Pr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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