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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": "2021-11-28T01:35:18.528000Z",
"spacegroup": 160
},
{
"id": "mp-13436",
"created_at": "2022-09-04T14:42:08.610131Z",
"structure_string": "Pr1 Mg1 Ni4\n1.0\n0.000000 3.573894 3.573894\n3.573894 0.000000 3.573894\n3.573894 3.573894 0.000000\nPr Mg Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Mg\n0.623354 0.623354 0.129937 Ni\n0.623354 0.129937 0.623354 Ni\n0.129937 0.623354 0.623354 Ni\n0.623354 0.623354 0.623354 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Pr",
"density": 7.275103258536867,
"density_atomic": 0.0657198029406022,
"volume": 91.29668275820642,
"volume_molar": 9.163357908183068,
"formula_full": "Pr1 Mg1 Ni4",
"formula_reduced": "PrMgNi4",
"formula_anonymous": "ABC4",
"energy": -31.34651964,
"energy_per_atom": -5.22441994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.34651964,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0349699,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.089000Z",
"spacegroup": 216
},
{
"id": "mp-2926",
"created_at": "2022-09-04T14:45:35.258377Z",
"structure_string": "Pr4 Mg2 Ni4\n1.0\n7.547928 0.000000 0.000000\n0.000000 7.547928 0.000000\n0.000000 0.000000 3.902907\nPr Mg Ni\n4 2 4\ndirect\n0.324957 0.824957 0.500000 Pr\n0.824957 0.675043 0.500000 Pr\n0.175043 0.324957 0.500000 Pr\n0.675043 0.175043 0.500000 Pr\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.118737 0.618737 0.000000 Ni\n0.618737 0.881263 0.000000 Ni\n0.881263 0.381263 0.000000 Ni\n0.381263 0.118737 0.000000 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Pr",
"density": 6.325517889487388,
"density_atomic": 0.0449734598588257,
"volume": 222.35336199150746,
"volume_molar": 13.390432443720917,
"formula_full": "Pr4 Mg2 Ni4",
"formula_reduced": "Pr2MgNi2",
"formula_anonymous": "AB2C2",
"energy": -48.24639443000001,
"energy_per_atom": -4.824639443000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.24639443000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009183,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.009000Z",
"spacegroup": 127
}
]
}