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_384558 | [
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tar:NOMAD_p5PLo0wckWh8LN4rjHImTLMbYWbD | [
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} | 225 | La2YbAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384590 | [
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"alpha": 90,
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} | 225 | NaLa2Th | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384606 | [
"Ga",
"La",
"Ir"
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} | 225 | La2GaIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_oZ3pX_bWw9anuHEVRAwDKX3YYS71 | [
"La",
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} | 225 | La2GdIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_KMksrRibLvD_dviJtsRGjgStDTz- | [
"La",
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} | 225 | La2NdNp | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384657 | [
"Tc",
"La",
"Au"
] | [
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"alpha": 90,
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} | 225 | La2TcAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_UC6Pk5zkWs32aUvCUHfftusHRTdf | [
"Te",
"La",
"Pu"
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"alpha": 90,
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} | 225 | La2PuTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384684 | [
"Ca",
"V",
"La"
] | [
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20,
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"alpha": 90,
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} | 225 | CaLa2V | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384700 | [
"Zr",
"In",
"La"
] | [
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} | 225 | La2ZrIn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384714 | [
"La",
"Pr",
"Re"
] | [
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} | 225 | La2PrRe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384735 | [
"Rb",
"La",
"Sm"
] | [
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57,
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} | 225 | RbLa2Sm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384749 | [
"La",
"W",
"Os"
] | [
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} | 225 | La2OsW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384764 | [
"Y",
"Cs",
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} | 225 | CsLa2Y | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_384782 | [
"Mg",
"La",
"Er"
] | [
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12
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tar:OQMD_384797 | [
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tar:OQMD_384812 | [
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tar:OQMD_384824 | [
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tar:OQMD_384840 | [
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tar:NOMAD_wZRb_27qTmvlplTR273OnO-Lpadr | [
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tar:OQMD_384868 | [
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tar:OQMD_384882 | [
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tar:NOMAD_8mvml-ndqdiheDdiQ46TryxlQ1AG | [
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tar:OQMD_384920 | [
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tar:NOMAD_X3_OGvtwsyeyMwToSbXGSlQKKa0l | [
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tar:OQMD_384952 | [
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tar:NOMAD_abl113QwlZf3QnzykwEHfFF3w27r | [
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tar:OQMD_384977 | [
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tar:OQMD_384989 | [
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tar:OQMD_385305 | [
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tar:OQMD_385320 | [
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tar:OQMD_385358 | [
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tar:OQMD_385371 | [
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tar:NOMAD_yjHpg2PKqSnebf8DGzqDQIO1EO9O | [
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tar:NOMAD_TH09eU8388KlvXNr-RoSJFaOOCyp | [
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tar:OQMD_385421 | [
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tar:OQMD_385440 | [
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tar:OQMD_385457 | [
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tar:OQMD_385473 | [
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tar:OQMD_385533 | [
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tar:OQMD_385546 | [
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tar:OQMD_385563 | [
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tar:OQMD_385576 | [
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tar:NOMAD_4XlSIyl4efy0hRj6jWsH2FaNEzMe | [
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tar:OQMD_385604 | [
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tar:OQMD_385618 | [
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tar:NOMAD_SmOL4yrAhEmlce8oYFCVMzMjzbkX | [
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tar:OQMD_385647 | [
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tar:OQMD_385846 | [
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tar:OQMD_385861 | [
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tar:OQMD_385921 | [
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tar:NOMAD_EC4MgaeDG8jK7Htl-2y-ELxqSOno | [
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tar:NOMAD_rLGXmjH2lyiyu5jHzaaVpkEte-1w | [
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tar:OQMD_385973 | [
"Sb",
"La",
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tar:NOMAD_KWZhfjAnoLBfLFRVU68TKWAwxdp2 | [
"La",
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tar:OQMD_386000 | [
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tar:OQMD_386012 | [
"La",
"Dy",
"Ho"
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} | 225 | La2DyHo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_386027 | [
"Te",
"La",
"Hf"
] | [
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57,
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} | 225 | La2HfTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_386035 | [
"Zr",
"La",
"Au"
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} | 225 | La2ZrAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_386048 | [
"Na",
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tar:NOMAD_kZSXVKfbwMNn7WLHv8fB9qvKcg4R | [
"La",
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66,
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} | 225 | La2DyW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_386078 | [
"Mo",
"La",
"Tl"
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42,
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42
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} | 225 | La2TlMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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