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_396986 | [
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} | 225 | SrBiTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_396999 | [
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} | 225 | LiSnTe2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_397013 | [
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} | 225 | HoCuTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_397026 | [
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} | 225 | NdZnTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_397039 | [
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} | 225 | CuGeTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_397069 | [
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"alpha": 90,
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} | 225 | BeCoTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_397084 | [
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"Te",
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} | 225 | GeTe2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_397097 | [
"Zr",
"Te",
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"alpha": 90,
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} | 225 | ErZrTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_397117 | [
"Te",
"Pt",
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"alpha": 90,
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} | 225 | TlTe2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_397131 | [
"Na",
"Te",
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} | 225 | NaHoTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_397145 | [
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} | 225 | EuHoTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_397161 | [
"Te",
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} | 225 | TlTe2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_HfXej21oJL6PhyJb8gGaTl1xzFGF | [
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} | 225 | SrTcTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_397194 | [
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} | 225 | TbTlTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_397211 | [
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tar:NOMAD_qxii-RFjq5j6T7qHsveCvr__POD4 | [
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tar:OQMD_397246 | [
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tar:OQMD_397259 | [
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} | 225 | Te2PtAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_397273 | [
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} | 225 | LiTaTe2 | general_inorganic | true | 4 | null | null | null | null | [
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tar:OQMD_397294 | [
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tar:OQMD_397307 | [
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} | 225 | Te2IrAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_397322 | [
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tar:OQMD_397340 | [
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tar:OQMD_397355 | [
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tar:OQMD_397371 | [
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tar:OQMD_397382 | [
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} | 225 | CaTmTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_397393 | [
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} | 225 | LiPmTe2 | general_inorganic | true | 4 | null | null | null | null | [
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tar:OQMD_397407 | [
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} | 225 | CaTe2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_397422 | [
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} | 225 | BiTe2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_397433 | [
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tar:OQMD_397448 | [
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tar:OQMD_397464 | [
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tar:OQMD_397479 | [
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tar:OQMD_397495 | [
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tar:OQMD_397509 | [
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tar:OQMD_397522 | [
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tar:OQMD_397535 | [
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tar:OQMD_397551 | [
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tar:OQMD_397567 | [
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tar:NOMAD_I2UhSJdDWecC9-RBHevZOfeIjsmC | [
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tar:OQMD_397597 | [
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tar:OQMD_397612 | [
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tar:OQMD_397625 | [
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tar:OQMD_397641 | [
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tar:OQMD_397659 | [
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tar:OQMD_397682 | [
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tar:OQMD_397702 | [
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tar:OQMD_397718 | [
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tar:OQMD_397735 | [
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tar:OQMD_397749 | [
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tar:NOMAD_uKuhWU-5myEkAJaa79pJD0nZAhBo | [
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tar:OQMD_397773 | [
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tar:OQMD_397797 | [
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tar:OQMD_397816 | [
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tar:OQMD_397834 | [
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tar:OQMD_397848 | [
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tar:OQMD_397864 | [
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tar:OQMD_397878 | [
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tar:OQMD_397893 | [
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tar:OQMD_397906 | [
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tar:OQMD_397918 | [
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tar:OQMD_397963 | [
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tar:OQMD_397975 | [
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tar:OQMD_397990 | [
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tar:OQMD_398005 | [
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tar:OQMD_398022 | [
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tar:OQMD_398037 | [
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tar:OQMD_398052 | [
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tar:OQMD_398067 | [
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tar:OQMD_398082 | [
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tar:OQMD_398096 | [
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tar:OQMD_398108 | [
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tar:OQMD_398122 | [
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tar:OQMD_398132 | [
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tar:OQMD_398147 | [
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tar:OQMD_398161 | [
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tar:NOMAD_oF2v0VSPXHnl-eW71Cdb6007Sq3k | [
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tar:OQMD_398189 | [
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tar:NOMAD_POUoHk6cKFH5gl90qmuxoK93FcaG | [
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} | 225 | KGeTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398215 | [
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tar:OQMD_398229 | [
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} | 225 | YCoTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_0kYe4BG6fZakJHCGOZ5IrBimepk3 | [
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tar:OQMD_398256 | [
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} | 225 | LuTcTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_iw3vyU3edDh01YpIhfXbkBLXSMDy | [
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} | 225 | CrNiTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398284 | [
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} | 225 | LiScTe2 | general_inorganic | true | 4 | null | null | null | null | [
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tar:OQMD_398300 | [
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} | 225 | UTe2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398313 | [
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"gamma": 90
} | 225 | SrDyTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398328 | [
"Ga",
"Te",
"Er"
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68,
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31,
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31,
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52,
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} | 225 | ErGaTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398343 | [
"K",
"Te",
"Er"
] | [
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19,
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68,
68,
68,
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52,
52,
52,
52,
52,
52,
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"alpha": 90,
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} | 225 | KErTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398360 | [
"Mg",
"Te",
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66,
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66,
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12,
12,
12,
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52,
52,
52,
52,
52,
52,
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} | 225 | DyMgTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398378 | [
"Pd",
"Te",
"Cs"
] | [
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55,
55,
55,
52,
52,
52,
52,
52,
52,
52,
52,
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46,
46,
46
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | CsTe2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398392 | [
"Zr",
"Te",
"Pb"
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40,
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40,
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52,
52,
52,
52,
52,
52,
52,
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82,
82,
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} | 225 | ZrTe2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398402 | [
"Ni",
"Sn",
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28,
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50,
50,
50,
52,
52,
52,
52,
52,
52,
52,
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"alpha": 90,
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} | 225 | NiSnTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398424 | [
"Cd",
"Te",
"Tm"
] | [
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69,
69,
69,
48,
48,
48,
48,
52,
52,
52,
52,
52,
52,
52,
52
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TmCdTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398434 | [
"Li",
"Te",
"Tl"
] | [
3,
3,
3,
3,
81,
81,
81,
81,
52,
52,
52,
52,
52,
52,
52,
52
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiTlTe2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_398450 | [
"Te",
"Th",
"Np"
] | [
90,
90,
90,
90,
93,
93,
93,
93,
52,
52,
52,
52,
52,
52,
52,
52
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | ThNpTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398470 | [
"Zn",
"Te",
"Er"
] | [
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68,
68,
68,
30,
30,
30,
30,
52,
52,
52,
52,
52,
52,
52,
52
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | ErZnTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398488 | [
"Te",
"Ba",
"Er"
] | [
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56,
56,
56,
68,
68,
68,
68,
52,
52,
52,
52,
52,
52,
52,
52
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | BaErTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_398504 | [
"Te",
"Tb",
"Yb"
] | [
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65,
65,
65,
70,
70,
70,
70,
52,
52,
52,
52,
52,
52,
52,
52
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | TbYbTe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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