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{
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{
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{
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{
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{
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.831000Z",
"spacegroup": 6
},
{
"id": "mp-1026391",
"created_at": "2022-09-04T14:44:09.839850Z",
"structure_string": "Mg14 Ti1 C1\n1.0\n6.288238 0.000000 -0.000000\n-3.144119 5.445773 -0.000000\n0.000000 0.000000 9.758909\nMg Ti C\n14 1 1\ndirect\n0.177052 0.838525 0.125000 Mg\n0.159462 0.829731 0.625000 Mg\n0.661475 0.322948 0.125000 Mg\n0.670269 0.340538 0.625000 Mg\n0.661475 0.838525 0.125000 Mg\n0.670269 0.829731 0.625000 Mg\n0.322574 0.177426 0.389823 Mg\n0.322574 0.177426 0.860177 Mg\n0.322574 0.645148 0.389823 Mg\n0.322574 0.645148 0.860177 Mg\n0.854852 0.177426 0.389823 Mg\n0.854852 0.177426 0.860177 Mg\n0.833333 0.666667 0.367258 Mg\n0.833333 0.666667 0.882742 Mg\n0.166667 0.333333 0.125000 Ti\n0.166667 0.333333 0.625000 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"C"
],
"chemical_system": "C-Mg-Ti",
"density": 1.9882896373059402,
"density_atomic": 0.047877361570814354,
"volume": 334.1871706178869,
"volume_molar": 12.578263635294071,
"formula_full": "Mg14 Ti1 C1",
"formula_reduced": "Mg14TiC",
"formula_anonymous": "ABC14",
"energy": -34.5497635,
"energy_per_atom": -2.15936021875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.5497635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.664845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.342000Z",
"spacegroup": 187
},
{
"id": "mp-11846",
"created_at": "2022-09-04T14:44:20.203275Z",
"structure_string": "Pr1 Al2 Zn2\n1.0\n-2.107751 2.107751 5.516228\n2.107751 -2.107751 5.516228\n2.107751 2.107751 -5.516228\nPr Al Zn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.611722 0.611722 0.000000 Zn\n0.388278 0.388278 0.000000 Zn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Zn"
],
"chemical_system": "Al-Pr-Zn",
"density": 5.517102043110446,
"density_atomic": 0.05100693135438749,
"volume": 98.0258930940356,
"volume_molar": 11.806514526739887,
"formula_full": "Pr1 Al2 Zn2",
"formula_reduced": "Pr(AlZn)2",
"formula_anonymous": "AB2C2",
"energy": -17.00584175,
"energy_per_atom": -3.40116835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.00584175,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035196,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.509000Z",
"spacegroup": 139
}
]
}