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"structure_string": "Sr1 Sm1 Zr1 Ti1 O6\n1.0\n-0.000000 -4.052254 -4.052254\n4.052254 -0.000000 -4.052254\n4.052254 -4.052254 0.000000\nSr Sm Zr Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sm\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 -0.000000 Ti\n0.756915 0.243085 0.243085 O\n0.243085 0.756915 0.756915 O\n0.756915 0.243085 0.756915 O\n0.243085 0.756915 0.243085 O\n0.756915 0.756915 0.243085 O\n0.243085 0.243085 0.756915 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Sm",
"Zr",
"Ti",
"O"
],
"chemical_system": "O-Sm-Sr-Ti-Zr",
"density": 5.902719474015035,
"density_atomic": 0.07514152856780237,
"volume": 133.08220088944174,
"volume_molar": 8.014397464068153,
"formula_full": "Sr1 Sm1 Zr1 Ti1 O6",
"formula_reduced": "SrSmZrTiO6",
"formula_anonymous": "ABCDE6",
"energy": -87.17014213,
"energy_per_atom": -8.717014213,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.04814213,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032334,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.524000Z",
"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": [
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],
"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",
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"total_magnetization": 0.0,
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"updated_at": "2021-11-28T01:35:09.037000Z",
"spacegroup": 216
}
]
}