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"id": "mp-1013565",
"created_at": "2022-09-04T14:45:26.613243Z",
"structure_string": "Na8 Co4 P8 O28\n1.0\n-7.357132 -0.023416 3.206438\n-2.761059 10.705589 3.212004\n0.002662 -0.005442 -8.268754\nNa Co P O\n8 4 8 28\ndirect\n0.725136 0.814512 0.199650 Na\n0.224966 0.314750 0.199665 Na\n0.415713 0.044786 0.300362 Na\n0.915348 0.544804 0.300284 Na\n0.274858 0.185484 0.800350 Na\n0.775045 0.685261 0.800344 Na\n0.584291 0.955222 0.699652 Na\n0.084630 0.455197 0.699724 Na\n0.500001 0.500000 0.500000 Co\n0.000001 0.000000 0.999998 Co\n0.000000 0.999999 0.499998 Co\n0.500000 0.499999 0.999999 Co\n0.488401 0.723217 0.344600 P\n0.988356 0.223351 0.344887 P\n0.671004 0.117372 0.154901 P\n0.170977 0.617400 0.155110 P\n0.511600 0.276783 0.655401 P\n0.011645 0.776649 0.655113 P\n0.328997 0.882628 0.845096 P\n0.829024 0.382598 0.844889 P\n0.262356 0.737715 0.250139 O\n0.762124 0.237861 0.250051 O\n0.737645 0.262285 0.749860 O\n0.237877 0.762140 0.749947 O\n0.460732 0.166229 0.103319 O\n0.960706 0.666373 0.103299 O\n0.519981 0.852922 0.397234 O\n0.019885 0.353073 0.397195 O\n0.539269 0.833770 0.896681 O\n0.039295 0.333626 0.896699 O\n0.480025 0.147075 0.602769 O\n0.980115 0.646927 0.602804 O\n0.580765 0.639067 0.204452 O\n0.080992 0.138909 0.205004 O\n0.751962 0.028489 0.294225 O\n0.251775 0.528652 0.294442 O\n0.419233 0.360935 0.795547 O\n0.919008 0.861090 0.794996 O\n0.248038 0.971508 0.705768 O\n0.748225 0.471348 0.705556 O\n0.449863 0.342080 0.493789 O\n0.950793 0.841410 0.493016 O\n0.262691 0.945035 0.007550 O\n0.762640 0.445312 0.007233 O\n0.550140 0.657917 0.506210 O\n0.049204 0.158589 0.506983 O\n0.737306 0.054967 0.992443 O\n0.237360 0.554682 0.992766 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Na",
"Co",
"P",
"O"
],
"chemical_system": "Co-Na-O-P",
"density": 2.8424200327898106,
"density_atomic": 0.07366145971738017,
"volume": 651.6297692736948,
"volume_molar": 8.175429570776068,
"formula_full": "Na8 Co4 P8 O28",
"formula_reduced": "Na2CoP2O7",
"formula_anonymous": "AB2C2D7",
"energy": -338.37278887,
"energy_per_atom": -7.049433101458334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -312.58478887,
"band_gap": 2.4091,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.784000Z",
"spacegroup": 15
}
]
}