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{
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{
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{
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{
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"id": "mp-20863",
"created_at": "2022-09-04T14:41:02.002327Z",
"structure_string": "Sb4 Pt4 O14\n1.0\n0.000000 5.202949 5.202949\n5.202949 0.000000 5.202949\n5.202949 5.202949 0.000000\nSb Pt O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 Sb\n0.625000 0.125000 0.125000 Sb\n0.125000 0.125000 0.625000 Sb\n0.125000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625000 Pt\n0.125000 0.625000 0.625000 Pt\n0.625000 0.625000 0.125000 Pt\n0.625000 0.125000 0.625000 Pt\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.539343 0.539343 0.960657 O\n0.289343 0.289343 0.710657 O\n0.960657 0.539343 0.960657 O\n0.960657 0.539343 0.539343 O\n0.539343 0.960657 0.960657 O\n0.539343 0.960657 0.539343 O\n0.960657 0.960657 0.539343 O\n0.710657 0.289343 0.289343 O\n0.289343 0.710657 0.710657 O\n0.710657 0.710657 0.289343 O\n0.710657 0.289343 0.710657 O\n0.289343 0.710657 0.289343 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"Pt",
"O"
],
"chemical_system": "O-Pt-Sb",
"density": 8.791340453802668,
"density_atomic": 0.0780987312185079,
"volume": 281.69471714524377,
"volume_molar": 7.710932899986561,
"formula_full": "Sb4 Pt4 O14",
"formula_reduced": "Sb2Pt2O7",
"formula_anonymous": "A2B2C7",
"energy": -137.45564431,
"energy_per_atom": -6.247983832272727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.83764431000002,
"band_gap": 0.5572999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004714,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.191000Z",
"spacegroup": 227
},
{
"id": "mp-985556",
"created_at": "2022-09-04T14:41:02.415667Z",
"structure_string": "Cd12 Ni12\n1.0\n0.000000 5.725264 5.725264\n5.725264 0.000000 5.725264\n5.725264 5.725264 0.000000\nCd Ni\n12 12\ndirect\n0.800649 0.800649 0.199351 Cd\n0.199351 0.199351 0.800649 Cd\n0.800649 0.199351 0.800649 Cd\n0.199351 0.800649 0.199351 Cd\n0.199351 0.800649 0.800649 Cd\n0.800649 0.199351 0.199351 Cd\n0.449351 0.449351 0.050649 Cd\n0.050649 0.050649 0.449351 Cd\n0.449351 0.050649 0.449351 Cd\n0.050649 0.449351 0.050649 Cd\n0.050649 0.449351 0.449351 Cd\n0.449351 0.050649 0.050649 Cd\n0.125000 0.625000 0.625000 Ni\n0.625000 0.125000 0.625000 Ni\n0.625000 0.625000 0.125000 Ni\n0.625000 0.625000 0.625000 Ni\n0.734160 0.421947 0.421947 Ni\n0.421947 0.734160 0.421947 Ni\n0.421947 0.421947 0.734160 Ni\n0.421947 0.421947 0.421947 Ni\n0.515840 0.828053 0.828053 Ni\n0.828053 0.515840 0.828053 Ni\n0.828053 0.828053 0.515840 Ni\n0.828053 0.828053 0.828053 Ni\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cd",
"Ni"
],
"chemical_system": "Cd-Ni",
"density": 9.08395498283246,
"density_atomic": 0.06394324819586787,
"volume": 375.3328252340944,
"volume_molar": 9.417946272534152,
"formula_full": "Cd12 Ni12",
"formula_reduced": "CdNi",
"formula_anonymous": "AB",
"energy": -80.7360508,
"energy_per_atom": -3.3640021166666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.7360508,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4186651,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.586000Z",
"spacegroup": 227
}
]
}