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{
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{
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{
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{
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{
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"updated_at": "2021-11-28T01:37:30.870000Z",
"spacegroup": 194
},
{
"id": "mp-863723",
"created_at": "2022-09-04T14:46:03.696386Z",
"structure_string": "Ho4 Mg2 Ge4\n1.0\n7.262642 0.000000 0.000000\n0.000000 7.262642 0.000000\n0.000000 0.000000 4.256961\nHo Mg Ge\n4 2 4\ndirect\n0.677286 0.177286 0.500000 Ho\n0.322714 0.822714 0.500000 Ho\n0.177286 0.322714 0.500000 Ho\n0.822714 0.677286 0.500000 Ho\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.875908 0.375908 0.000000 Ge\n0.124092 0.624092 0.000000 Ge\n0.375908 0.124092 0.000000 Ge\n0.624092 0.875908 0.000000 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ho",
"Mg",
"Ge"
],
"chemical_system": "Ge-Ho-Mg",
"density": 7.387174775021036,
"density_atomic": 0.04453598426574674,
"volume": 224.53753217465416,
"volume_molar": 13.521966246587963,
"formula_full": "Ho4 Mg2 Ge4",
"formula_reduced": "Ho2MgGe2",
"formula_anonymous": "AB2C2",
"energy": -47.69944986,
"energy_per_atom": -4.7699449860000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.69944986,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001576,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.609000Z",
"spacegroup": 127
},
{
"id": "mp-1022463",
"created_at": "2022-09-04T14:46:14.735827Z",
"structure_string": "Mg12 Zr2 Ga2\n1.0\n4.886473 0.000000 0.000000\n0.000000 6.401459 0.000000\n0.000000 0.000000 11.009778\nMg Zr Ga\n12 2 2\ndirect\n0.000000 0.252705 0.081347 Mg\n0.000000 0.747295 0.081347 Mg\n0.000000 0.500000 0.833906 Mg\n0.500000 0.249755 0.916378 Mg\n0.500000 0.750245 0.916378 Mg\n0.500000 0.500000 0.667542 Mg\n0.000000 0.752705 0.581347 Mg\n0.000000 0.247295 0.581347 Mg\n0.000000 0.000000 0.333906 Mg\n0.500000 0.749755 0.416378 Mg\n0.500000 0.250245 0.416378 Mg\n0.500000 0.000000 0.167542 Mg\n0.000000 0.500000 0.324028 Zr\n0.000000 0.000000 0.824028 Zr\n0.500000 0.500000 0.179076 Ga\n0.500000 0.000000 0.679076 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Ga"
],
"chemical_system": "Ga-Mg-Zr",
"density": 2.9583452441377256,
"density_atomic": 0.04645868884050794,
"volume": 344.39198348726086,
"volume_molar": 12.962356257349253,
"formula_full": "Mg12 Zr2 Ga2",
"formula_reduced": "Mg6ZrGa",
"formula_anonymous": "ABC6",
"energy": -42.6707878,
"energy_per_atom": -2.6669242375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.6707878,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.260000Z",
"spacegroup": 38
}
]
}