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_473542 | [
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"Mn",
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} | 225 | YbMn2B | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_HElqB8D1hKfpE10WZFaD3mdc6M3E | [
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"alpha": 90,
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} | 225 | ErMn2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473572 | [
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"Mn",
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"alpha": 90,
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} | 225 | MgMn2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473588 | [
"V",
"Mn",
"Y"
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"alpha": 90,
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} | 225 | YMn2V | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473620 | [
"Mn",
"Yb",
"Th"
] | [
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90,
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"alpha": 90,
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} | 225 | YbThMn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473637 | [
"Mn",
"Ge",
"Pb"
] | [
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25,
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25,
25,
25,
25,
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32,
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] | {
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"alpha": 90,
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} | 225 | Mn2GePb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_3pF96RX1y4n6PgMYAwFKEdTSIWHv | [
"Mn",
"Nd",
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63,
63,
63,
63,
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25,
25,
25,
25,
25,
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] | {
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"alpha": 90,
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} | 225 | NdEuMn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473674 | [
"Mn",
"Pr",
"Ho"
] | [
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59,
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67,
67,
67,
25,
25,
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] | {
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"alpha": 90,
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} | 225 | PrHoMn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_EZ0mGpUnJbl8LKE6T6PPC7NMwGpM | [
"Mn",
"As",
"Tm"
] | [
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69,
69,
69,
25,
25,
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25,
25,
25,
25,
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"alpha": 90,
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} | 225 | TmMn2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473697 | [
"Mn",
"Pr",
"Tl"
] | [
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59,
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59,
25,
25,
25,
25,
25,
25,
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] | {
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"alpha": 90,
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} | 225 | PrMn2Tl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473710 | [
"Mn",
"Rh",
"Yb"
] | [
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25,
25,
25,
25,
25,
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] | {
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"alpha": 90,
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} | 225 | YbMn2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473723 | [
"Mn",
"Te",
"Tl"
] | [
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25,
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25,
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25,
25,
81,
81,
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Mn2TlTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_XzDzCWJR1BQ6W55V0oqpkUkVLycm | [
"Mg",
"Mn",
"Pa"
] | [
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12,
91,
91,
91,
91,
25,
25,
25,
25,
25,
25,
25,
25
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | MgPaMn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473752 | [
"B",
"Mn",
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] | [
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40,
25,
25,
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25,
25,
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25,
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"alpha": 90,
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} | 225 | ZrMn2B | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_7BNxAUUCrbYX5RfWh9oA5I_BnlCw | [
"Mn",
"Ni",
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25,
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25,
25,
25,
25,
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28
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] | {
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"alpha": 90,
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} | 225 | EuMn2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473784 | [
"Mn",
"Ta",
"Os"
] | [
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73,
73,
73,
25,
25,
25,
25,
25,
25,
25,
25,
76,
76,
76,
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"alpha": 90,
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} | 225 | TaMn2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473798 | [
"Mn",
"Rb",
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37,
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37,
64,
64,
64,
64,
25,
25,
25,
25,
25,
25,
25,
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} | 225 | RbGdMn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Ir1E9RKcacRoasWKpXQuiSH5EP4G | [
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55,
25,
25,
25,
25,
25,
25,
25,
25,
5,
5,
5,
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"alpha": 90,
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} | 225 | CsMn2B | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473832 | [
"Mn",
"Sn",
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] | [
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94,
94,
94,
25,
25,
25,
25,
25,
25,
25,
25,
50,
50,
50,
50
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"alpha": 90,
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} | 225 | PuMn2Sn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473846 | [
"Be",
"Mn",
"Rb"
] | [
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37,
37,
37,
25,
25,
25,
25,
25,
25,
25,
25,
4,
4,
4,
4
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"alpha": 90,
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} | 225 | RbMn2Be | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473859 | [
"Mn",
"In",
"Ir"
] | [
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25,
25,
25,
25,
25,
25,
25,
49,
49,
49,
49,
77,
77,
77,
77
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"alpha": 90,
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} | 225 | Mn2InIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473876 | [
"Mn",
"Cu",
"Nb"
] | [
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25,
25,
25,
25,
25,
25,
25,
41,
41,
41,
41,
29,
29,
29,
29
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"alpha": 90,
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} | 225 | Mn2NbCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473895 | [
"K",
"Mn",
"Ac"
] | [
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19,
19,
19,
89,
89,
89,
89,
25,
25,
25,
25,
25,
25,
25,
25
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"alpha": 90,
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} | 225 | KAcMn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_nHw0kWgFPgap4pmLfF8aIlfFmk5- | [
"Be",
"Mn",
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] | [
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69,
69,
69,
25,
25,
25,
25,
25,
25,
25,
25,
4,
4,
4,
4
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} | 225 | TmMn2Be | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_C0sFX-M7yEWnsWcqQfWaRu4r3p4x | [
"Mn",
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] | [
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63,
63,
63,
25,
25,
25,
25,
25,
25,
25,
25,
42,
42,
42,
42
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} | 225 | EuMn2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473937 | [
"Cr",
"Mn",
"Hg"
] | [
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25,
25,
25,
25,
25,
25,
25,
24,
24,
24,
24,
80,
80,
80,
80
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] | {
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} | 225 | Mn2CrHg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_473953 | [
"Li",
"Mn",
"Bi"
] | [
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3,
3,
3,
25,
25,
25,
25,
25,
25,
25,
25,
83,
83,
83,
83
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"alpha": 90,
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} | 225 | LiMn2Bi | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_473968 | [
"Mg",
"Mn",
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12,
12,
12,
25,
25,
25,
25,
25,
25,
25,
25,
79,
79,
79,
79
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} | 225 | MgMn2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_zLTHuF-qh9NnrvrbHLUb4ya_qQCo | [
"Mn",
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63,
63,
63,
25,
25,
25,
25,
25,
25,
25,
25,
51,
51,
51,
51
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tar:OQMD_473998 | [
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tar:OQMD_474025 | [
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tar:OQMD_474041 | [
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tar:NOMAD_eDK51sxSzAv8fjEynOIvDgje3LQ6 | [
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tar:NOMAD_RinhQSqcDgEvg0nvVM-9hkmqJ839 | [
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tar:OQMD_474104 | [
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tar:NOMAD_MOIQkARroQ5eTVI-_a6opBir4vgJ | [
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} | 225 | PrLu2Sc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474139 | [
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71,
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71,
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} | 225 | RbLu2Sn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474153 | [
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} | 225 | Lu2AlNi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474173 | [
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71,
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71,
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71,
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} | 225 | TbLu2Pu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474183 | [
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63,
63,
71,
71,
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} | 225 | LaEuLu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474197 | [
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71,
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} | 225 | SmYLu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474208 | [
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71,
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71,
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} | 225 | HoLu2Ga | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474223 | [
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69,
71,
71,
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tar:OQMD_474285 | [
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tar:OQMD_474317 | [
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tar:OQMD_474330 | [
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tar:NOMAD_BnzOTycd0zDrKmVN_9cBrEYeyWQu | [
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tar:NOMAD_HBSe4TiZT7i43FnpTez3F3gEokUa | [
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tar:OQMD_474370 | [
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tar:NOMAD_4NBmXRWOTh4b-w91OmAnfN8M-vGz | [
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tar:OQMD_474394 | [
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tar:NOMAD_OL0aotqdg6pwrv59a4tuxFD_Zi-Z | [
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tar:NOMAD_Vgthmwl6KCZCITeWx3myv0dlUdlv | [
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} | 225 | CsLu2Np | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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tar:OQMD_474454 | [
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tar:NOMAD_rC4qsBOIoqzSKjmLhg2SXuvVx97K | [
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tar:OQMD_474485 | [
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tar:OQMD_474500 | [
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tar:OQMD_474512 | [
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tar:OQMD_474526 | [
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} | 225 | Lu2PaGa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474543 | [
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} | 225 | Lu2GaPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474559 | [
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} | 225 | YLu2Zr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474577 | [
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} | 225 | KLu2Hf | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474589 | [
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} | 225 | Lu2ScV | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474610 | [
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} | 225 | Lu2PuPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474627 | [
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} | 225 | Lu2TlCr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474644 | [
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} | 225 | Lu2GaSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_mQ1OsSlnosIM0nU-5oP-JsgmJbJY | [
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} | 225 | EuLu2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_zxbhejOpFNiCQs0_VTSeC2jGInbq | [
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24,
24,
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74,
74,
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} | 225 | Lu2CrW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474682 | [
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58,
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71,
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} | 225 | SrCeLu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474698 | [
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"Lu",
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69,
71,
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71,
71,
71,
71,
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"alpha": 90,
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} | 225 | TmLu2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474713 | [
"Si",
"Sc",
"Lu"
] | [
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71,
71,
71,
71,
21,
21,
21,
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14,
14,
14,
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"alpha": 90,
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} | 225 | Lu2ScSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_mDrIULtOTCLEwk8djVDRGUZiiy5z | [
"Li",
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71,
71,
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71,
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"alpha": 90,
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} | 225 | LiLu2Cu | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:NOMAD_6wVSKehXiw3X-DU3oqBGic8ayApF | [
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71,
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"alpha": 90,
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} | 225 | Lu2MgFe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474757 | [
"Tc",
"Gd",
"Lu"
] | [
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64,
64,
64,
71,
71,
71,
71,
71,
71,
71,
71,
43,
43,
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"alpha": 90,
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} | 225 | GdLu2Tc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474791 | [
"Sc",
"Ti",
"Lu"
] | [
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71,
71,
71,
71,
71,
71,
71,
21,
21,
21,
21,
22,
22,
22,
22
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} | 225 | Lu2ScTi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_EUQ_F3ZMkDsI7ousfAxCHLtKffxl | [
"Cu",
"As",
"Lu"
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71,
71,
71,
71,
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71,
71,
29,
29,
29,
29,
33,
33,
33,
33
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"alpha": 90,
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} | 225 | Lu2CuAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474822 | [
"Be",
"Ba",
"Lu"
] | [
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56,
56,
56,
71,
71,
71,
71,
71,
71,
71,
71,
4,
4,
4,
4
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"alpha": 90,
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} | 225 | BaLu2Be | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_AIYCAazbzSGlq6GwmUD6yWtIfNZr | [
"B",
"Fe",
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71,
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71,
71,
71,
71,
71,
26,
26,
26,
26,
5,
5,
5,
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"alpha": 90,
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} | 225 | Lu2FeB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_60ES4fq7oEIGnmYcfLPZc-GRYfVO | [
"Tc",
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62,
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62,
71,
71,
71,
71,
71,
71,
71,
71,
43,
43,
43,
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"alpha": 90,
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} | 225 | SmLu2Tc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_NAxyZ2Zt4fpcHowxUJWbu0j8-HU4 | [
"Pd",
"Lu",
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] | [
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71,
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71,
71,
71,
71,
46,
46,
46,
46,
74,
74,
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"alpha": 90,
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} | 225 | Lu2PdW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474883 | [
"Ge",
"Tm",
"Lu"
] | [
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69,
69,
69,
71,
71,
71,
71,
71,
71,
71,
71,
32,
32,
32,
32
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"alpha": 90,
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} | 225 | TmLu2Ge | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474900 | [
"Sn",
"Lu",
"W"
] | [
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71,
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71,
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74,
74,
74,
74
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"alpha": 90,
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} | 225 | Lu2SnW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474913 | [
"Lu",
"Th",
"U"
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71,
71,
71,
71,
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90,
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} | 225 | Lu2ThU | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474921 | [
"Li",
"Ca",
"Lu"
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3,
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3,
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20,
20,
20,
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71,
71,
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"alpha": 90,
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} | 225 | LiCaLu2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:NOMAD_slMWvPLSdmllzyEIZxwPNGzAEuDS | [
"Co",
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55,
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71,
71,
71,
71,
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27,
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"alpha": 90,
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} | 225 | CsLu2Co | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_K5-cW0baypw_kesgPtp_2xJJI4Y_ | [
"Zn",
"Sm",
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62,
62,
62,
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71,
71,
71,
71,
71,
71,
71,
30,
30,
30,
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} | 225 | SmLu2Zn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_nw2khuMDcfGMJnk-ua3IeEC0WUHW | [
"Dy",
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"Pt"
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71,
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78,
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} | 225 | DyLu2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_474979 | [
"Dy",
"Lu",
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66,
71,
71,
71,
71,
71,
71,
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} | 225 | DyLu2Re | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_SvEaJCUSCEBSARy0AwU8ITcUDhc7 | [
"Ca",
"Tc",
"Lu"
] | [
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20,
20,
20,
71,
71,
71,
71,
71,
71,
71,
71,
43,
43,
43,
43
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] | {
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"alpha": 90,
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} | 225 | CaLu2Tc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_475007 | [
"K",
"Pm",
"Lu"
] | [
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19,
19,
19,
61,
61,
61,
61,
71,
71,
71,
71,
71,
71,
71,
71
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | KPmLu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_475024 | [
"Sc",
"Ho",
"Lu"
] | [
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67,
67,
67,
71,
71,
71,
71,
71,
71,
71,
71,
21,
21,
21,
21
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | HoLu2Sc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_475039 | [
"Cd",
"Dy",
"Lu"
] | [
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66,
66,
66,
71,
71,
71,
71,
71,
71,
71,
71,
48,
48,
48,
48
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] | {
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"alpha": 90,
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} | 225 | DyLu2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_yUzNCm2eCwjBzhili-6uOj1IWBkg | [
"Ho",
"Lu",
"Pa"
] | [
67,
67,
67,
67,
71,
71,
71,
71,
71,
71,
71,
71,
91,
91,
91,
91
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | HoLu2Pa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_475067 | [
"Ga",
"Lu",
"Ir"
] | [
71,
71,
71,
71,
71,
71,
71,
71,
31,
31,
31,
31,
77,
77,
77,
77
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Lu2GaIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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