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_460625 | [
"Mo",
"Ru",
"Pu"
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} | 225 | Pu2MoRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_g8g3nf-MJlKQPt4XAJ_7M4Qoxwoj | [
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"alpha": 90,
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} | 225 | LiAcPu2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_460655 | [
"Cs",
"W",
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] | {
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"alpha": 90,
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} | 225 | CsPu2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_460665 | [
"Ag",
"Pt",
"Pu"
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] | 16 | 3 | [
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"alpha": 90,
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"gamma": 90
} | 225 | Pu2AgPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_460686 | [
"As",
"Bi",
"Pu"
] | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Pu2BiAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_460700 | [
"Sc",
"Sn",
"Pu"
] | [
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94,
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21,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pu2ScSn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_460715 | [
"Sr",
"Pt",
"Pu"
] | [
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94,
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94,
94,
94,
94,
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] | {
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"alpha": 90,
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} | 225 | SrPu2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_460729 | [
"In",
"Pb",
"Pu"
] | [
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94,
94,
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94,
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49,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pu2InPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_460740 | [
"Co",
"Ag",
"Pu"
] | [
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94,
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94,
94,
94,
94,
94,
27,
27,
27,
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47,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Pu2CoAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_460755 | [
"Ho",
"Au",
"Pu"
] | [
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67,
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94,
94,
94,
94,
94,
94,
94,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | HoPu2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_460769 | [
"Li",
"Cs",
"Pu"
] | [
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3,
94,
94,
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] | {
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"alpha": 90,
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} | 225 | CsLiPu2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_460784 | [
"Eu",
"Au",
"Pu"
] | [
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94,
94,
94,
94,
94,
94,
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] | {
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"alpha": 90,
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} | 225 | EuPu2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_kNjtDQd6WA5Bqyzzj72nSWCvsQG5 | [
"Tm",
"W",
"Pu"
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94,
94,
94,
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] | {
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"alpha": 90,
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} | 225 | TmPu2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_460814 | [
"Ga",
"Pa",
"Pu"
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] | {
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"alpha": 90,
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} | 225 | Pu2PaGa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_460827 | [
"Rh",
"Er",
"Pu"
] | [
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94,
94,
94,
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] | 16 | 3 | [
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tar:OQMD_460872 | [
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tar:OQMD_460882 | [
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tar:OQMD_460901 | [
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tar:OQMD_460935 | [
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tar:OQMD_460951 | [
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tar:OQMD_460966 | [
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tar:NOMAD_6x43dgp_Cen0gXgvwLX_Kc_fBTw3 | [
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tar:OQMD_461000 | [
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tar:OQMD_461014 | [
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tar:NOMAD_cHIogHaws9I46M1UzlfFOpggbWJq | [
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tar:OQMD_461048 | [
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tar:OQMD_461066 | [
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tar:OQMD_461100 | [
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tar:OQMD_461115 | [
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tar:OQMD_461130 | [
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tar:OQMD_461150 | [
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tar:OQMD_461180 | [
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tar:OQMD_461191 | [
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tar:OQMD_461206 | [
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tar:NOMAD_fKJ2spSa55K1BftqfI0UIJRcqY9w | [
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tar:OQMD_461234 | [
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tar:OQMD_461249 | [
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tar:NOMAD_wW5hupFav9EuPYutcOx3pnmFjsm5 | [
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tar:NOMAD_uf2DK1DWLY4zkG-a2-rWyZIaHE4c | [
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tar:OQMD_461618 | [
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tar:NOMAD_KFrpxnarIlcy5QWK7r-RaVF7oCNQ | [
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tar:OQMD_461687 | [
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tar:OQMD_461703 | [
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tar:OQMD_461721 | [
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tar:OQMD_461735 | [
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tar:OQMD_461750 | [
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tar:OQMD_461812 | [
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tar:OQMD_461828 | [
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tar:OQMD_461840 | [
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tar:OQMD_461856 | [
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tar:OQMD_461871 | [
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tar:OQMD_461886 | [
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tar:NOMAD_4rVg65phEt2MQ4Eo3O1b_KRYZekq | [
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tar:OQMD_461919 | [
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tar:NOMAD_B6PFd1iAUvqlfcwKtbivymFKCjof | [
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tar:NOMAD_s8e1n9ZqaqyQY3nKtXdYrbPwU3O_ | [
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tar:NOMAD_8EJ7hzTnMR4qeH0-tb8P5ZMCqXuF | [
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94,
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} | 225 | PmPu2Al | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_L3xUY0dF3zDZEXTovYILuIc9k1NJ | [
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} | 225 | Pu2VTc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_461987 | [
"Cs",
"Lu",
"Pu"
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71,
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"alpha": 90,
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"gamma": 90
} | 225 | CsLuPu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462002 | [
"Eu",
"Pt",
"Pu"
] | [
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63,
63,
63,
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94,
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94,
94,
94,
94,
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78,
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] | 16 | 3 | [
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"alpha": 90,
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} | 225 | EuPu2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_6lczQFEsRegc9uzxKfJP8p-s-vBe | [
"Sc",
"Cu",
"Pu"
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94,
94,
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94,
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94,
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29,
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"alpha": 90,
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} | 225 | Pu2ScCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_daEYSmvRg1MCzKOgnhDF0zddKkqC | [
"Y",
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94,
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"alpha": 90,
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} | 225 | YPu2Ta | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_U7l26hXJU9VFlGWJyaw9QzRTjxuE | [
"Na",
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} | 225 | NaPu2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_RwTqYeRLBOIFKUoC6pT6D6jcPSqY | [
"Rh",
"U",
"Pu"
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94,
94,
94,
94,
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94,
94,
92,
92,
92,
92,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Pu2URh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_iigZHDQbDJ84c6M5GG3mDvTKhO5i | [
"In",
"Pa",
"Pu"
] | [
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94,
94,
94,
94,
94,
94,
94,
91,
91,
91,
91,
49,
49,
49,
49
] | 16 | 3 | [
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[
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"alpha": 90,
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} | 225 | Pu2PaIn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462093 | [
"Si",
"Zn",
"Pu"
] | [
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94,
94,
94,
94,
94,
94,
94,
30,
30,
30,
30,
14,
14,
14,
14
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Pu2ZnSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_8nDTbxbLker1P_6MQOrHTpHEa5qV | [
"Sc",
"Cd",
"Pu"
] | [
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94,
94,
94,
94,
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94,
94,
21,
21,
21,
21,
48,
48,
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] | {
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} | 225 | Pu2ScCd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_462125 | [
"Rh",
"Pm",
"Pu"
] | [
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61,
61,
61,
94,
94,
94,
94,
94,
94,
94,
94,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
"a": 7.199460029602051,
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"alpha": 90,
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} | 225 | PmPu2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_OMRPyPiVhubzIm1Vmv1RVEk7dMBc | [
"Cu",
"Lu",
"Pu"
] | [
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71,
71,
71,
94,
94,
94,
94,
94,
94,
94,
94,
29,
29,
29,
29
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | LuPu2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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