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{
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{
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{
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"formula_full": "Sr4 Y2 Ti2 Cu4 O14",
"formula_reduced": "Sr2YTiCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -192.4560125,
"energy_per_atom": -7.402154326923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.8380125,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025203,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:08.091000Z",
"spacegroup": 46
},
{
"id": "mp-1213899",
"created_at": "2022-09-04T14:48:17.481859Z",
"structure_string": "Ce2 P2 Ru1 O1\n1.0\n2.933968 0.000000 0.000000\n0.000000 2.933968 0.000000\n0.000000 0.000000 14.155338\nCe P Ru O\n2 2 1 1\ndirect\n0.500000 0.500000 0.146210 Ce\n0.500000 0.500000 0.853790 Ce\n0.500000 0.500000 0.657066 P\n0.500000 0.500000 0.342934 P\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ce",
"P",
"Ru",
"O"
],
"chemical_system": "Ce-O-P-Ru",
"density": 6.258442341072045,
"density_atomic": 0.04924025132301153,
"volume": 121.85153078607479,
"volume_molar": 12.230117836920265,
"formula_full": "Ce2 P2 Ru1 O1",
"formula_reduced": "Ce2P2RuO",
"formula_anonymous": "ABC2D2",
"energy": -38.65919003,
"energy_per_atom": -6.443198338333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.97219003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7272963,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.732000Z",
"spacegroup": 123
}
]
}