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"structure_string": "Na1 Eu1 Zr1 Sn1 O6\n1.0\n-0.000000 -4.123604 -4.123604\n4.123604 -0.000000 -4.123604\n4.123604 -4.123604 -0.000000\nNa Eu Zr Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sn\n0.752032 0.247968 0.247968 O\n0.247968 0.752032 0.752032 O\n0.752032 0.247968 0.752032 O\n0.247968 0.752032 0.247968 O\n0.752032 0.752032 0.247968 O\n0.247968 0.247968 0.752032 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Eu",
"Zr",
"Sn",
"O"
],
"chemical_system": "Eu-Na-O-Sn-Zr",
"density": 5.694147665286433,
"density_atomic": 0.07130814643320939,
"volume": 140.23643160275492,
"volume_molar": 8.445235307919026,
"formula_full": "Na1 Eu1 Zr1 Sn1 O6",
"formula_reduced": "NaEuZrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -81.137176,
"energy_per_atom": -8.1137176,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.015176,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0004504,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.165000Z",
"spacegroup": 216
},
{
"id": "mp-1044026",
"created_at": "2022-09-04T14:45:39.631697Z",
"structure_string": "La2 Zn2 Fe2 Ni2 O12\n1.0\n5.464061 0.000000 0.000000\n0.000000 5.303495 0.000000\n0.000000 5.277164 7.657774\nLa Zn Fe Ni O\n2 2 2 2 12\ndirect\n0.218253 0.741797 0.249786 La\n0.781747 0.741797 0.749786 La\n0.710947 0.275717 0.248308 Zn\n0.289053 0.275717 0.748308 Zn\n0.745612 0.000473 0.001497 Fe\n0.254388 0.000473 0.501497 Fe\n0.749750 0.501115 0.499297 Ni\n0.250250 0.501115 0.999297 Ni\n0.231725 0.888269 0.745826 O\n0.045308 0.251389 0.941903 O\n0.050146 0.641378 0.556444 O\n0.949854 0.641378 0.056444 O\n0.954692 0.251389 0.441903 O\n0.768275 0.888269 0.245826 O\n0.708402 0.174335 0.753617 O\n0.509924 0.707688 0.556543 O\n0.511602 0.317838 0.946778 O\n0.488398 0.317838 0.446778 O\n0.490076 0.707688 0.056543 O\n0.291598 0.174335 0.253617 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Zn",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-La-Ni-O-Zn",
"density": 6.208535595381433,
"density_atomic": 0.09012592762132164,
"volume": 221.91172427132364,
"volume_molar": 6.681918199281097,
"formula_full": "La2 Zn2 Fe2 Ni2 O12",
"formula_reduced": "LaZnFeNiO6",
"formula_anonymous": "ABCDE6",
"energy": -138.48858131,
"energy_per_atom": -6.9244290655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.65058131,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0005693,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.171000Z",
"spacegroup": 7
}
]
}