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{
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{
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{
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{
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"structure_string": "Mg6 Co1 Sn1 O8\n1.0\n8.843318 -0.000000 0.000000\n0.000000 4.361258 0.000000\n0.000000 0.000000 4.361258\nMg Co Sn O\n6 1 1 8\ndirect\n0.500000 -0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.259790 0.000000 0.500000 Mg\n0.740210 -0.000000 0.500000 Mg\n0.259790 0.500000 0.000000 Mg\n0.740210 0.500000 -0.000000 Mg\n-0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 0.500000 Sn\n0.264860 0.000000 -0.000000 O\n0.735140 -0.000000 0.000000 O\n0.262888 0.500000 0.500000 O\n0.737112 0.500000 0.500000 O\n-0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Li3 Ti2 Cu3 O10\n1.0\n5.132383 0.000000 0.000000\n-1.309862 5.152502 0.000000\n-1.095609 -2.793635 7.122846\nLi Ti Cu O\n3 2 3 10\ndirect\n0.207526 0.525322 0.385016 Li\n0.500000 0.000000 0.500000 Li\n0.792474 0.474678 0.614984 Li\n0.123380 0.008805 0.689631 Ti\n0.876620 0.991195 0.310369 Ti\n0.000000 0.500000 0.000000 Cu\n0.703532 0.967074 0.908436 Cu\n0.296468 0.032926 0.091564 Cu\n0.047253 0.207715 0.843703 O\n0.315237 0.783255 0.952011 O\n0.100258 0.783360 0.531801 O\n0.202073 0.266167 0.212137 O\n0.470725 0.188433 0.663861 O\n0.529275 0.811567 0.336139 O\n0.797927 0.733833 0.787863 O\n0.899742 0.216640 0.468199 O\n0.684763 0.216745 0.047989 O\n0.952747 0.792285 0.156297 O\n",
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{
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{
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],
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"density": 2.4643784759697436,
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"formula_full": "Mg14 Zr1 Nb1",
"formula_reduced": "Mg14ZrNb",
"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:38:30.242000Z",
"spacegroup": 38
},
{
"id": "mp-974415",
"created_at": "2022-09-04T14:48:11.466003Z",
"structure_string": "Re3 Pb1\n1.0\n0.000000 3.235373 3.235373\n3.235373 0.000000 3.235373\n3.235373 3.235373 0.000000\nRe Pb\n3 1\ndirect\n0.250000 0.250000 0.250000 Re\n0.750000 0.750000 0.750000 Re\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Pb\n",
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"elements": [
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"Pb"
],
"chemical_system": "Pb-Re",
"density": 18.774712805466926,
"density_atomic": 0.05905503415663391,
"volume": 67.73342962414767,
"volume_molar": 10.19750618385428,
"formula_full": "Re3 Pb1",
"formula_reduced": "Re3Pb",
"formula_anonymous": "AB3",
"energy": -37.07768341,
"energy_per_atom": -9.2694208525,
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"formation_energy": null,
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"energy_uncorrected": -37.07768341,
"band_gap": 0.0,
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"total_magnetization": 0.0002125,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.149000Z",
"spacegroup": 225
}
]
}