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"updated_at": "2021-11-28T01:37:16.206000Z",
"spacegroup": 216
},
{
"id": "mp-1187006",
"created_at": "2022-09-04T14:45:55.633870Z",
"structure_string": "Sc1 Zn2 Cu1\n1.0\n0.000000 3.133842 3.133842\n3.133842 0.000000 3.133842\n3.133842 3.133842 0.000000\nSc Zn Cu\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Cu"
],
"chemical_system": "Cu-Sc-Zn",
"density": 6.456046446443334,
"density_atomic": 0.06498284265960351,
"volume": 61.554709463127175,
"volume_molar": 9.267278120696396,
"formula_full": "Sc1 Zn2 Cu1",
"formula_reduced": "ScZn2Cu",
"formula_anonymous": "ABC2",
"energy": -14.01077288,
"energy_per_atom": -3.50269322,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.01077288,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.076000Z",
"spacegroup": 225
},
{
"id": "mp-1112922",
"created_at": "2022-09-04T14:45:57.230627Z",
"structure_string": "Cs2 Sb1 Au1 I6\n1.0\n0.000000 6.030445 6.030445\n6.030445 0.000000 6.030445\n6.030445 6.030445 0.000000\nCs Sb Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n0.747115 0.252885 0.252885 I\n0.252885 0.252885 0.747115 I\n0.252885 0.747115 0.747115 I\n0.252885 0.747115 0.252885 I\n0.747115 0.252885 0.747115 I\n0.747115 0.747115 0.252885 I\n",
"nsites": 10,
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"elements": [
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"Au",
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],
"chemical_system": "Au-Cs-I-Sb",
"density": 5.095708283381446,
"density_atomic": 0.022799321444990004,
"volume": 438.6095447677208,
"volume_molar": 26.413684172707363,
"formula_full": "Cs2 Sb1 Au1 I6",
"formula_reduced": "Cs2SbAuI6",
"formula_anonymous": "ABC2D6",
"energy": -28.20001293,
"energy_per_atom": -2.820001293,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -25.92601293,
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"total_magnetization": 0.000271,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.067000Z",
"spacegroup": 225
}
]
}