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{
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{
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{
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"structure_string": "Lu1 Pb3\n1.0\n4.871575 0.000000 0.000000\n0.000000 4.871575 0.000000\n0.000000 0.000000 4.871575\nLu Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Lu",
"Pb"
],
"chemical_system": "Lu-Pb",
"density": 11.44098006267272,
"density_atomic": 0.03459806514383791,
"volume": 115.61340159833823,
"volume_molar": 17.406004454190047,
"formula_full": "Lu1 Pb3",
"formula_reduced": "LuPb3",
"formula_anonymous": "AB3",
"energy": -16.36783745,
"energy_per_atom": -4.0919593625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.36783745,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021536,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.388000Z",
"spacegroup": 221
},
{
"id": "mp-1016331",
"created_at": "2022-09-04T14:42:46.310642Z",
"structure_string": "Mg7 Nb1\n1.0\n3.155071 -5.464744 0.000000\n3.155071 5.464744 0.000000\n0.000000 0.000000 5.004941\nMg Nb\n7 1\ndirect\n0.831926 0.663852 0.500000 Mg\n0.336148 0.168074 0.500000 Mg\n0.831926 0.168074 0.500000 Mg\n0.492457 0.507543 0.000000 Mg\n0.015086 0.507543 0.000000 Mg\n0.492457 0.984914 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.500000 Nb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb",
"density": 2.530843294139372,
"density_atomic": 0.04635345074322945,
"volume": 172.58693520608082,
"volume_molar": 12.991785214350228,
"formula_full": "Mg7 Nb1",
"formula_reduced": "Mg7Nb",
"formula_anonymous": "AB7",
"energy": -20.06118661,
"energy_per_atom": -2.50764832625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.06118661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015821,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.656000Z",
"spacegroup": 187
}
]
}