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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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tar:OQMD_463832 | [
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tar:OQMD_463841 | [
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tar:OQMD_463856 | [
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tar:OQMD_463867 | [
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tar:NOMAD_5XpH4U2rsCAdAKEuEkIfcu2DF9cy | [
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tar:OQMD_463897 | [
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tar:OQMD_463910 | [
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tar:OQMD_463924 | [
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tar:NOMAD_5Fq_3EjrWhlYHdHKDOsLLm8ySgve | [
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tar:OQMD_463957 | [
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tar:OQMD_463974 | [
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tar:NOMAD_p1mVWv04qH3pV25fbhbRNeqfzN-N | [
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tar:OQMD_464001 | [
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tar:OQMD_467681 | [
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tar:OQMD_467748 | [
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tar:NOMAD_-hCe44P2eZkzSKqxS2LX-IvX7DiE | [
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tar:OQMD_467778 | [
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tar:OQMD_467793 | [
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tar:OQMD_467811 | [
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} | 225 | BaOsPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_UySYH-9Gky3Y47LcjrFZd40L0x7w | [
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tar:OQMD_467839 | [
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} | 225 | ZrTePd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_467855 | [
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} | 225 | PuPd2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_467870 | [
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} | 225 | NbMoPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Y9uUQFq9P4zvaNMH6u84NB62riJR | [
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} | 225 | USiPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_467900 | [
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} | 225 | PuTiPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_467916 | [
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} | 225 | NdSnPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_cUMOHDPh9RaXa7E6QMvkRdjfmuca | [
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} | 225 | AcFePd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_467945 | [
"Rh",
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46,
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46,
46,
46,
45,
45,
45,
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} | 225 | LuPd2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_467960 | [
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46,
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} | 225 | TeAsPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_xO-NVtvLmHVZBY2dpJDDPTu83jT5 | [
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70,
46,
46,
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tar:OQMD_468036 | [
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tar:OQMD_468052 | [
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tar:OQMD_468083 | [
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tar:OQMD_468099 | [
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tar:OQMD_468113 | [
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tar:OQMD_468125 | [
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tar:OQMD_468137 | [
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tar:OQMD_468166 | [
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tar:OQMD_468183 | [
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tar:OQMD_468199 | [
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tar:OQMD_468363 | [
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tar:OQMD_468409 | [
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} | 225 | NbFePd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_468686 | [
"V",
"Pd",
"Ir"
] | [
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77,
77,
77,
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46,
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} | 225 | VIrPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_BeVxNl5yXV4MhJzgNPBQLH6jNgFD | [
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"alpha": 90,
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} | 225 | KOsPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_468714 | [
"Co",
"Pd",
"Ta"
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73,
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27,
27,
27,
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46,
46,
46,
46,
46,
46,
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"alpha": 90,
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} | 225 | TaCoPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_468730 | [
"Ga",
"Pd",
"Gd"
] | [
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31,
31,
31,
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46,
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46,
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] | 16 | 3 | [
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] | {
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} | 225 | GdGaPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_9LmXfe31xcx3jRMxuQDyReD92d5k | [
"Pd",
"Ce",
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76,
76,
76,
46,
46,
46,
46,
46,
46,
46,
46
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | CeOsPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_468759 | [
"Pd",
"Sb",
"La"
] | [
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51,
51,
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46,
46,
46,
46,
46,
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] | {
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} | 225 | LaSbPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_468774 | [
"B",
"Pd",
"Ba"
] | [
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5,
5,
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46,
46,
46,
46,
46,
46,
46
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"alpha": 90,
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} | 225 | BaBPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_468803 | [
"Sc",
"Ge",
"Pd"
] | [
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21,
21,
21,
32,
32,
32,
32,
46,
46,
46,
46,
46,
46,
46,
46
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | ScGePd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_468822 | [
"Zn",
"Pd",
"Ta"
] | [
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73,
73,
73,
30,
30,
30,
30,
46,
46,
46,
46,
46,
46,
46,
46
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | TaZnPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_468834 | [
"Ga",
"Pd",
"Hf"
] | [
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72,
72,
72,
31,
31,
31,
31,
46,
46,
46,
46,
46,
46,
46,
46
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | HfGaPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_468847 | [
"Rb",
"Ru",
"Pd"
] | [
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37,
37,
37,
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 | RbPd2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_vhJfOhQU54V6SBxRc1EgEtlaEmdk | [
"Pd",
"Au",
"Pa"
] | [
91,
91,
91,
91,
46,
46,
46,
46,
46,
46,
46,
46,
79,
79,
79,
79
] | 16 | 3 | [
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]
] | {
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"alpha": 90,
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"gamma": 90
} | 225 | PaPd2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_468876 | [
"Si",
"Pd",
"Tm"
] | [
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69,
69,
69,
14,
14,
14,
14,
46,
46,
46,
46,
46,
46,
46,
46
] | 16 | 3 | [
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0,
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],
[
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]
] | {
"a": 6.453976154327393,
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"alpha": 90,
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"gamma": 90
} | 225 | TmSiPd2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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