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{
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"structure_string": "Zn8 Co8 Si16 O48\n1.0\n5.290293 0.000000 0.000000\n0.000000 9.115144 0.000000\n0.000000 0.000000 18.508606\nZn Co Si O\n8 8 16 48\ndirect\n0.617770 0.150422 0.375675 Zn\n0.382230 0.849578 0.624325 Zn\n0.617770 0.650422 0.124325 Zn\n0.117770 0.849578 0.124325 Zn\n0.882230 0.150422 0.875675 Zn\n0.382230 0.349578 0.875675 Zn\n0.117770 0.349578 0.375675 Zn\n0.882230 0.650422 0.624325 Zn\n0.374600 0.991489 0.876276 Co\n0.625400 0.008511 0.123724 Co\n0.874600 0.008511 0.623724 Co\n0.125400 0.991489 0.376276 Co\n0.374600 0.491489 0.623724 Co\n0.625400 0.508511 0.376276 Co\n0.874600 0.508511 0.876276 Co\n0.125400 0.491489 0.123724 Co\n0.565468 0.660873 0.772323 Si\n0.713571 0.835377 0.473948 Si\n0.786429 0.835377 0.973948 Si\n0.934532 0.160873 0.227677 Si\n0.065468 0.339127 0.727677 Si\n0.434532 0.839127 0.272323 Si\n0.213571 0.664623 0.473948 Si\n0.713571 0.335377 0.026052 Si\n0.786429 0.335377 0.526052 Si\n0.934532 0.660873 0.272323 Si\n0.434532 0.339127 0.227677 Si\n0.565468 0.160873 0.727677 Si\n0.286429 0.164623 0.526052 Si\n0.065468 0.839127 0.772323 Si\n0.286429 0.664623 0.973948 Si\n0.213571 0.164623 0.026052 Si\n0.927845 0.501054 0.310554 O\n0.306012 0.017213 0.067226 O\n0.072155 0.498946 0.689446 O\n0.713954 0.340339 0.937158 O\n0.213954 0.159661 0.937158 O\n0.917759 0.204330 0.051169 O\n0.946263 0.660619 0.183841 O\n0.053737 0.839381 0.683841 O\n0.713954 0.840339 0.562842 O\n0.946263 0.160619 0.316159 O\n0.427845 0.498946 0.189446 O\n0.786046 0.340339 0.437158 O\n0.693988 0.982787 0.932774 O\n0.446263 0.839381 0.183841 O\n0.572155 0.001054 0.689446 O\n0.306012 0.517213 0.432774 O\n0.427845 0.998946 0.310554 O\n0.164482 0.767234 0.302627 O\n0.335518 0.767234 0.802627 O\n0.582241 0.704330 0.948831 O\n0.786046 0.840339 0.062842 O\n0.553737 0.660619 0.683841 O\n0.806012 0.482787 0.067226 O\n0.164482 0.267234 0.197373 O\n0.286046 0.159661 0.437158 O\n0.553737 0.160619 0.816159 O\n0.693988 0.482787 0.567226 O\n0.213954 0.659661 0.562842 O\n0.193988 0.517213 0.932774 O\n0.664482 0.732766 0.302627 O\n0.072155 0.998946 0.810554 O\n0.835518 0.732766 0.802627 O\n0.835518 0.232766 0.697373 O\n0.806012 0.982787 0.432774 O\n0.286046 0.659661 0.062842 O\n0.193988 0.017213 0.567226 O\n0.335518 0.267234 0.697373 O\n0.082241 0.795670 0.948831 O\n0.417759 0.795670 0.448831 O\n0.664482 0.232766 0.197373 O\n0.417759 0.295670 0.051169 O\n0.582241 0.204330 0.551169 O\n0.082241 0.295670 0.551169 O\n0.446263 0.339381 0.316159 O\n0.572155 0.501054 0.810554 O\n0.917759 0.704330 0.448831 O\n0.053737 0.339381 0.816159 O\n0.927845 0.001054 0.189446 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Zn",
"Co",
"Si",
"O"
],
"chemical_system": "Co-O-Si-Zn",
"density": 4.115592055289007,
"density_atomic": 0.08963404932206116,
"volume": 892.517972858223,
"volume_molar": 6.718586079227597,
"formula_full": "Zn8 Co8 Si16 O48",
"formula_reduced": "ZnCo(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy": -594.2775565000001,
"energy_per_atom": -7.428469456250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -548.1975565,
"band_gap": 2.9415,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 24.0000056,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.450000Z",
"spacegroup": 61
},
{
"id": "mp-35033",
"created_at": "2022-09-04T14:46:14.757778Z",
"structure_string": "Zn1 Fe5 O8\n1.0\n0.000000 4.292408 4.292408\n4.292408 0.000000 4.292408\n4.292408 4.292408 0.000000\nZn Fe O\n1 5 8\ndirect\n0.250000 0.250000 0.250000 Zn\n0.500000 0.500000 0.500000 Fe\n0.875114 0.374659 0.875114 Fe\n0.374659 0.875114 0.875114 Fe\n0.875114 0.875114 0.374659 Fe\n0.875114 0.875114 0.875114 Fe\n0.637649 0.637649 0.637649 O\n0.087054 0.637649 0.637649 O\n0.637649 0.637649 0.087054 O\n0.637649 0.087054 0.637649 O\n0.114724 0.655829 0.114724 O\n0.114724 0.114724 0.655829 O\n0.655829 0.114724 0.114724 O\n0.114724 0.114724 0.114724 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Zn",
"density": 4.961770408425933,
"density_atomic": 0.08851055279728294,
"volume": 158.17322971718878,
"volume_molar": 6.803867527290898,
"formula_full": "Zn1 Fe5 O8",
"formula_reduced": "ZnFe5O8",
"formula_anonymous": "AB5C8",
"energy": -106.77715842,
"energy_per_atom": -7.626939887142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.00115842,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0000072,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.585000Z",
"spacegroup": 216
}
]
}