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"chemical_system": "Ba-Na-O-Sm-W",
"density": 6.347636362552537,
"density_atomic": 0.06473413578295731,
"volume": 154.47800266505945,
"volume_molar": 9.302882763726432,
"formula_full": "Ba1 Na1 Sm1 W1 O6",
"formula_reduced": "BaNaSmWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.34494208,
"energy_per_atom": -7.934494207999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.78494208,
"band_gap": 2.8395,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.841000Z",
"spacegroup": 216
},
{
"id": "mp-1522710",
"created_at": "2022-09-04T14:43:12.763132Z",
"structure_string": "K1 Hf1 Sn1 Sb1 O6\n1.0\n0.000000 -4.077063 -4.077063\n4.077063 0.000000 -4.077063\n4.077063 -4.077063 0.000000\nK Hf Sn Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Hf\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Sb\n0.745443 0.254557 0.254557 O\n0.254557 0.745443 0.745443 O\n0.745443 0.254557 0.745443 O\n0.254557 0.745443 0.254557 O\n0.745443 0.745443 0.254557 O\n0.254557 0.254557 0.745443 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Hf",
"Sn",
"Sb",
"O"
],
"chemical_system": "Hf-K-O-Sb-Sn",
"density": 6.787806885518892,
"density_atomic": 0.07377814596720908,
"volume": 135.54149225225217,
"volume_molar": 8.16249945163512,
"formula_full": "K1 Hf1 Sn1 Sb1 O6",
"formula_reduced": "KHfSnSbO6",
"formula_anonymous": "ABCDE6",
"energy": -73.42452924,
"energy_per_atom": -7.342452924,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.30252924,
"band_gap": 2.858,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.221000Z",
"spacegroup": 216
}
]
}