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"id": "mp-26922",
"created_at": "2022-09-04T14:47:16.604853Z",
"structure_string": "Ni10 P8 O32\n1.0\n-0.021708 0.019990 5.066967\n12.467281 7.489842 2.096688\n-3.086873 7.652829 -0.078909\nNi P O\n10 8 32\ndirect\n0.500081 0.499993 0.500097 Ni\n0.000066 0.999969 0.999895 Ni\n0.445124 0.202563 0.473975 Ni\n0.947403 0.703092 0.974919 Ni\n0.052878 0.296887 0.025133 Ni\n0.554418 0.797402 0.526014 Ni\n0.982270 0.118426 0.646877 Ni\n0.483902 0.618792 0.146776 Ni\n0.516193 0.381333 0.853186 Ni\n0.017556 0.881571 0.353047 Ni\n0.031391 0.349844 0.625226 P\n0.531841 0.850793 0.124599 P\n0.468143 0.149205 0.875390 P\n0.968692 0.650167 0.374818 P\n0.039666 0.105833 0.319984 P\n0.542379 0.605791 0.820122 P\n0.457647 0.394208 0.179920 P\n0.960211 0.894145 0.679999 P\n0.444979 0.484919 0.252813 O\n0.943609 0.984999 0.753499 O\n0.056286 0.014979 0.246467 O\n0.555024 0.515098 0.747189 O\n0.892118 0.334726 0.794546 O\n0.394634 0.836358 0.294633 O\n0.605313 0.163648 0.705341 O\n0.108023 0.665277 0.205514 O\n0.709050 0.376256 0.071774 O\n0.212623 0.876358 0.573412 O\n0.787264 0.123632 0.426581 O\n0.291042 0.623757 0.928277 O\n0.240395 0.407982 0.035606 O\n0.743920 0.908387 0.535421 O\n0.256014 0.091563 0.464619 O\n0.759734 0.592091 0.964314 O\n0.068875 0.187252 0.189855 O\n0.569063 0.687353 0.689615 O\n0.430950 0.312657 0.310377 O\n0.931022 0.812693 0.810186 O\n0.202873 0.108696 0.858014 O\n0.704303 0.609399 0.355938 O\n0.295745 0.390606 0.644075 O\n0.797124 0.891310 0.141926 O\n0.099943 0.251628 0.572892 O\n0.600344 0.752468 0.072591 O\n0.399701 0.247520 0.927437 O\n0.899996 0.748379 0.427132 O\n0.841080 0.412993 0.499546 O\n0.338920 0.912673 0.998705 O\n0.661226 0.087337 0.001197 O\n0.158945 0.586992 0.500533 O\n",
"nsites": 50,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 3.721883801220507,
"density_atomic": 0.08321685106229632,
"volume": 600.8398462778878,
"volume_molar": 7.236684257004405,
"formula_full": "Ni10 P8 O32",
"formula_reduced": "Ni5(PO4)4",
"formula_anonymous": "A4B5C16",
"energy": -360.98054695,
"energy_per_atom": -7.219610939000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -313.58654695,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.258317,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.957000Z",
"spacegroup": 2
}
]
}