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{
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{
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"structure_string": "Nb8 Co4 O24\n1.0\n2.195352 4.823795 2.160355\n-9.026589 -0.076659 4.564311\n4.374584 -4.799694 4.450234\nNb Co O\n8 4 24\ndirect\n0.333414 0.999984 0.333318 Nb\n0.833299 0.499997 0.833297 Nb\n0.583413 0.250133 0.083906 Nb\n0.083245 0.749906 0.582725 Nb\n0.488977 0.490174 0.509343 Nb\n0.989206 0.990161 0.009032 Nb\n0.677567 0.009861 0.657692 Nb\n0.177650 0.509862 0.157357 Nb\n0.419707 0.751891 0.916772 Co\n0.247054 0.248067 0.749996 Co\n0.919147 0.251640 0.415580 Co\n0.747530 0.748353 0.251137 Co\n0.913882 0.148493 0.618288 O\n0.413450 0.648235 0.117922 O\n0.253179 0.351701 0.548781 O\n0.752740 0.851494 0.048394 O\n0.261099 0.150175 0.961736 O\n0.761153 0.649855 0.461267 O\n0.905481 0.350137 0.205339 O\n0.405471 0.849849 0.704858 O\n0.573834 0.149311 0.274876 O\n0.074334 0.649873 0.775446 O\n0.592442 0.350149 0.891219 O\n0.092877 0.850705 0.391777 O\n0.430603 0.402802 0.236106 O\n0.930484 0.902795 0.736177 O\n0.736149 0.097191 0.930500 O\n0.236040 0.597184 0.430561 O\n0.068542 0.093038 0.264300 O\n0.569147 0.593018 0.763666 O\n0.759871 0.402328 0.573482 O\n0.259009 0.902360 0.073877 O\n0.407566 0.097621 0.592800 O\n0.906764 0.597691 0.093160 O\n0.097545 0.407014 0.902964 O\n0.598129 0.906952 0.402348 O\n",
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{
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{
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"volume_molar": 7.421358688230147,
"formula_full": "Na4 Cr8 O16",
"formula_reduced": "NaCr2O4",
"formula_anonymous": "AB2C4",
"energy": -222.11602097,
"energy_per_atom": -7.9327150346428565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.13202097,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.740000Z",
"spacegroup": 59
},
{
"id": "mp-1190627",
"created_at": "2022-09-04T14:43:19.637427Z",
"structure_string": "Zn5 N4 O14\n1.0\n-0.083195 0.000000 5.290206\n0.000000 -6.200765 0.000000\n10.294276 3.100382 0.000000\nZn N O\n5 4 14\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.741696 0.000000 Zn\n0.500000 0.258304 0.000000 Zn\n0.003366 0.579220 0.158440 Zn\n0.996634 0.420780 0.841560 Zn\n0.995406 0.319887 0.639774 N\n0.004594 0.680113 0.360226 N\n0.497925 0.788847 0.577693 N\n0.502075 0.211153 0.422307 N\n0.825282 0.706897 0.896054 O\n0.825282 0.189157 0.896054 O\n0.174718 0.293103 0.103946 O\n0.174718 0.810843 0.103946 O\n0.652432 0.553111 0.106223 O\n0.347568 0.446889 0.893777 O\n0.665165 0.045294 0.090588 O\n0.334835 0.954706 0.909412 O\n0.505443 0.272684 0.545367 O\n0.494557 0.727316 0.454633 O\n0.705100 0.818787 0.637574 O\n0.294900 0.181213 0.362426 O\n0.706630 0.181745 0.363491 O\n0.293370 0.818255 0.636509 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Zn",
"N",
"O"
],
"chemical_system": "N-O-Zn",
"density": 2.985172850774574,
"density_atomic": 0.06811051620797298,
"volume": 337.68647311041275,
"volume_molar": 8.84171945138635,
"formula_full": "Zn5 N4 O14",
"formula_reduced": "Zn5(N2O7)2",
"formula_anonymous": "A4B5C14",
"energy": -115.68338115,
"energy_per_atom": -5.029712223913044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.06538115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.6603164,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.211000Z",
"spacegroup": 12
}
]
}