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{
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"structure_string": "K2 Ce2 Sn2 W2 O12\n1.0\n6.031348 0.000000 0.000000\n0.000000 6.031348 0.000000\n0.000000 0.000000 8.499679\nK Ce Sn W O\n2 2 2 2 12\ndirect\n-0.000000 -0.000000 0.250000 K\n-0.000000 0.000000 0.750000 K\n0.000000 0.500000 0.000000 Ce\n0.500000 -0.000000 0.500000 Ce\n0.500000 0.500000 0.750000 Sn\n0.500000 0.500000 0.250000 Sn\n-0.000000 0.500000 0.500000 W\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.730860 O\n0.500000 -0.000000 0.769140 O\n0.235284 0.725198 0.500000 O\n0.764716 0.274802 0.500000 O\n0.274802 0.764716 -0.000000 O\n0.725198 0.235284 -0.000000 O\n0.235284 0.274802 0.500000 O\n0.274802 0.235284 0.000000 O\n0.764716 0.725198 0.500000 O\n0.725198 0.764716 -0.000000 O\n0.000000 0.500000 0.269140 O\n0.500000 -0.000000 0.230860 O\n",
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"energy_per_atom": -7.206620545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.50620545,
"band_gap": 2.3994000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.471000Z",
"spacegroup": 216
},
{
"id": "mp-1519551",
"created_at": "2022-09-04T14:41:05.196885Z",
"structure_string": "Ba1 Dy1 Sn1 Sb1 O6\n1.0\n0.000000 -4.228309 -4.228309\n4.228309 0.000000 -4.228309\n4.228309 -4.228309 0.000000\nBa Dy Sn Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Dy\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Sb\n0.736966 0.263034 0.263034 O\n0.263034 0.736966 0.736966 O\n0.736966 0.263034 0.736966 O\n0.263034 0.736966 0.263034 O\n0.736966 0.736966 0.263034 O\n0.263034 0.263034 0.736966 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Dy",
"Sn",
"Sb",
"O"
],
"chemical_system": "Ba-Dy-O-Sb-Sn",
"density": 6.988377675555275,
"density_atomic": 0.06614086215695329,
"volume": 151.19246520055702,
"volume_molar": 9.105023072891559,
"formula_full": "Ba1 Dy1 Sn1 Sb1 O6",
"formula_reduced": "BaDySnSbO6",
"formula_anonymous": "ABCDE6",
"energy": -70.51847932,
"energy_per_atom": -7.051847931999999,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.39647932,
"band_gap": 2.6502000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.037000Z",
"spacegroup": 216
}
]
}