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{
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"is_magnetic": false,
"total_magnetization": 0.0038316,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.133000Z",
"spacegroup": 62
},
{
"id": "mp-757110",
"created_at": "2022-09-04T14:46:41.485602Z",
"structure_string": "Na12 Ni4 P4 C4 O28\n1.0\n0.071691 5.334374 6.566237\n-0.071595 -5.334478 6.566323\n8.867787 0.015398 0.000149\nNa Ni P C O\n12 4 4 4 28\ndirect\n0.243761 0.241658 0.001348 Na\n0.743587 0.741660 0.001040 Na\n0.991656 0.993675 0.998785 Na\n0.491669 0.493673 0.998817 Na\n0.333509 0.894620 0.161624 Na\n0.833586 0.394525 0.161539 Na\n0.644614 0.083469 0.838372 Na\n0.144537 0.583626 0.838459 Na\n0.493614 0.995483 0.498004 Na\n0.993603 0.495484 0.498029 Na\n0.745557 0.243476 0.502031 Na\n0.245400 0.743759 0.501939 Na\n0.891776 0.845224 0.287062 Ni\n0.095241 0.141823 0.712924 Ni\n0.391829 0.345206 0.287285 Ni\n0.595216 0.641762 0.712717 Ni\n0.608894 0.628247 0.346948 P\n0.108942 0.128286 0.347096 P\n0.378293 0.358950 0.653056 P\n0.878235 0.858896 0.652893 P\n0.618382 0.118981 0.163831 C\n0.118253 0.619079 0.163797 C\n0.368953 0.868366 0.836173 C\n0.869100 0.368261 0.836205 C\n0.530391 0.206884 0.062262 O\n0.030250 0.707108 0.062296 O\n0.456935 0.780437 0.937743 O\n0.957061 0.280189 0.937695 O\n0.735027 0.000099 0.121638 O\n0.234829 0.500219 0.121560 O\n0.250067 0.984996 0.878369 O\n0.750266 0.484863 0.878458 O\n0.061679 0.987059 0.252575 O\n0.561471 0.487059 0.252476 O\n0.736964 0.811525 0.747282 O\n0.237097 0.311633 0.747605 O\n0.253276 0.171735 0.254390 O\n0.753131 0.671654 0.254056 O\n0.921566 0.003174 0.745760 O\n0.421830 0.503174 0.745861 O\n0.587792 0.152599 0.304544 O\n0.087692 0.652569 0.304571 O\n0.402501 0.837704 0.695460 O\n0.902617 0.337757 0.695430 O\n0.466288 0.773189 0.358886 O\n0.966300 0.273221 0.358924 O\n0.523194 0.216301 0.641118 O\n0.023194 0.716277 0.641077 O\n0.170573 0.064147 0.504162 O\n0.670711 0.564073 0.503956 O\n0.814198 0.920635 0.495825 O\n0.314094 0.420731 0.496048 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Na",
"Ni",
"P",
"C",
"O"
],
"chemical_system": "C-Na-Ni-O-P",
"density": 3.022073781173736,
"density_atomic": 0.08370687524300703,
"volume": 621.2154001572785,
"volume_molar": 7.194320350051649,
"formula_full": "Na12 Ni4 P4 C4 O28",
"formula_reduced": "Na3NiPCO7",
"formula_anonymous": "ABCD3E7",
"energy": -350.83762192,
"energy_per_atom": -6.746877344615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -321.43762192,
"band_gap": 3.6486,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.135000Z",
"spacegroup": 4
}
]
}