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_462155 | [
"Na",
"Mn",
"Pu"
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"alpha": 90,
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} | 225 | NaPu2Mn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_jQ3a9krUaSVRrF_fo8UqaYn5loc4 | [
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"alpha": 90,
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"gamma": 90
} | 225 | Pu2UPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462188 | [
"Er",
"Pt",
"Pu"
] | [
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94,
94,
94,
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] | {
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"alpha": 90,
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} | 225 | ErPu2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_p4rr65d2DBeNabaEnwlcTpXtdFv6 | [
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] | {
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"alpha": 90,
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} | 225 | YPu2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462215 | [
"Sc",
"Mn",
"Pu"
] | [
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94,
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94,
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94,
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] | {
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"c": 6.523153781890869,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pu2ScMn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462227 | [
"Eu",
"Re",
"Pu"
] | [
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63,
63,
63,
94,
94,
94,
94,
94,
94,
94,
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuPu2Re | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462240 | [
"Tb",
"Hg",
"Pu"
] | [
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65,
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65,
94,
94,
94,
94,
94,
94,
94,
94,
80,
80,
80,
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] | {
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"alpha": 90,
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} | 225 | TbPu2Hg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462273 | [
"Co",
"Sr",
"Pu"
] | [
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38,
38,
38,
94,
94,
94,
94,
94,
94,
94,
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27,
27,
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | SrPu2Co | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462285 | [
"Nd",
"Os",
"Pu"
] | [
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60,
60,
60,
94,
94,
94,
94,
94,
94,
94,
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76,
76,
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] | {
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"alpha": 90,
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} | 225 | NdPu2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_E7niElSBAHKVZESFHD98HgqjK0yW | [
"Ga",
"Er",
"Pu"
] | [
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68,
68,
68,
94,
94,
94,
94,
94,
94,
94,
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31,
31,
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31
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] | {
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"alpha": 90,
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} | 225 | ErPu2Ga | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462313 | [
"V",
"Nb",
"Pu"
] | [
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94,
94,
94,
94,
94,
94,
94,
41,
41,
41,
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23,
23,
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23
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] | {
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"alpha": 90,
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} | 225 | Pu2NbV | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_CwyDedXLqjWQDFC_XtTvKgNh9xAv | [
"V",
"La",
"Pu"
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57,
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57,
94,
94,
94,
94,
94,
94,
94,
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] | {
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"alpha": 90,
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} | 225 | LaPu2V | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_6odjQi7_8ub0HPIOnK3E-OZGDXmc | [
"Cd",
"Yb",
"Pu"
] | [
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70,
94,
94,
94,
94,
94,
94,
94,
94,
48,
48,
48,
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] | {
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"alpha": 90,
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} | 225 | YbPu2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462365 | [
"Cu",
"Mo",
"Pu"
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94,
94,
94,
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29,
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42,
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Pu2CuMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462379 | [
"Ta",
"Re",
"Pu"
] | [
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94,
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94,
94,
94,
94,
73,
73,
73,
73,
75,
75,
75,
75
] | 16 | 3 | [
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tar:OQMD_462618 | [
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tar:OQMD_462636 | [
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tar:NOMAD_2XjE3klWj7u0dG3JIB06nFhKR-Lt | [
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tar:OQMD_462666 | [
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tar:OQMD_462683 | [
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tar:OQMD_462699 | [
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tar:NOMAD_M-AJLD3-xMWkOMykKi5-qHAU9KiY | [
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tar:OQMD_462725 | [
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tar:NOMAD_ycC6TQhjzUkhydtEtmf7dUTLJphg | [
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tar:OQMD_462753 | [
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tar:OQMD_462767 | [
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tar:NOMAD_IIy82ZAxBYXur4bLSfYj83FnjC2T | [
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tar:OQMD_462792 | [
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} | 225 | Pu2HfGa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_cOjGeQRVNPMNTbuRRBGWYiDjUgSt | [
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} | 225 | Pu2PdRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462821 | [
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tar:NOMAD_ANcysWvwWBCmmTES2y6CNq834IzR | [
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} | 225 | SmPu2Th | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462853 | [
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tar:OQMD_462867 | [
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} | 225 | DyPu2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462884 | [
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} | 225 | PrPu2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_R4wgca8RuwD87A40PJP8KxteN0dr | [
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} | 225 | EuPu2Mg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462909 | [
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} | 225 | Pu2ThRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462923 | [
"Ga",
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} | 225 | Pu2NpGa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462939 | [
"Nb",
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} | 225 | AcPu2Nb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462951 | [
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} | 225 | CaPuPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462965 | [
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} | 225 | RePd2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462983 | [
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} | 225 | RbSnPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_463000 | [
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} | 225 | CePuPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_463012 | [
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31,
46,
46,
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} | 225 | KGaPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_1k1nJKEOyGg8abuYksXRlVOhLCHd | [
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tar:OQMD_463147 | [
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tar:OQMD_463180 | [
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tar:NOMAD_x7VOlwcsMpHI1nLe7zvTl1kJZQv9 | [
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tar:NOMAD_83dW5nmxHWNCW7ilsXkpXmecC3Vc | [
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} | 225 | FeCoPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_463597 | [
"Be",
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} | 225 | TiBePd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_463619 | [
"Be",
"V",
"Pd"
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"alpha": 90,
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} | 225 | BeVPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_FhsQJw222IxNTNhiR-DifHP0cEu9 | [
"Si",
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14,
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} | 225 | CsSiPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_463647 | [
"Cu",
"As",
"Pd"
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"alpha": 90,
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} | 225 | CuAsPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_463662 | [
"B",
"Rh",
"Pd"
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tar:NOMAD_TmZlfke7I8DuNIk5UihFaaBaayZb | [
"Pd",
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} | 225 | CsBiPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_FphJwkeIY987QIqgVoHoebzvqyBu | [
"Cr",
"Pd",
"Au"
] | [
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46,
46,
46,
46,
46,
46,
46,
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] | {
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} | 225 | CrPd2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_463720 | [
"V",
"Pd",
"Lu"
] | [
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71,
71,
71,
23,
23,
23,
23,
46,
46,
46,
46,
46,
46,
46,
46
] | 16 | 3 | [
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} | 225 | LuVPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_463739 | [
"Pd",
"Sn",
"W"
] | [
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50,
50,
50,
46,
46,
46,
46,
46,
46,
46,
46,
74,
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74,
74
] | 16 | 3 | [
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} | 225 | SnPd2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_4jnJUGecz4et_Hq5GaNcJZMhp4Sf | [
"Pd",
"Eu",
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69,
69,
69,
46,
46,
46,
46,
46,
46,
46,
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"alpha": 90,
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} | 225 | EuTmPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_463778 | [
"Pd",
"Pt",
"Au"
] | [
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46,
46,
46,
46,
46,
46,
46,
78,
78,
78,
78,
79,
79,
79,
79
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Pd2PtAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_463789 | [
"Y",
"Ru",
"Pd"
] | [
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39,
39,
39,
46,
46,
46,
46,
46,
46,
46,
46,
44,
44,
44,
44
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | YPd2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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