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{
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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:46:33.636249Z",
"structure_string": "Li7 Mg1 Ni7 O16\n1.0\n5.020928 0.000000 0.000000\n-0.007720 5.744541 0.000000\n-1.858596 -2.694931 9.273691\nLi Mg Ni O\n7 1 7 16\ndirect\n0.247622 0.865469 0.742922 Li\n0.237902 0.378772 0.748374 Li\n0.503249 0.252340 0.998630 Li\n0.752378 0.134531 0.257078 Li\n0.762098 0.621228 0.251626 Li\n0.496751 0.747660 0.001370 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.746532 0.628120 0.749115 Ni\n0.736018 0.133211 0.751197 Ni\n0.000000 0.500000 0.000000 Ni\n0.253468 0.371880 0.250885 Ni\n0.263982 0.866789 0.248803 Ni\n0.506937 0.751001 0.500413 Ni\n0.493063 0.248999 0.499587 Ni\n0.080059 0.201397 0.872062 O\n0.630590 0.944380 0.864722 O\n0.369410 0.055620 0.135278 O\n0.913169 0.325274 0.127263 O\n0.626765 0.420318 0.865183 O\n0.086831 0.674726 0.872737 O\n0.373235 0.579682 0.134817 O\n0.919941 0.798603 0.127938 O\n0.584127 0.417558 0.375244 O\n0.165579 0.692866 0.366580 O\n0.845285 0.848741 0.635600 O\n0.599121 0.919737 0.375722 O\n0.415873 0.582442 0.624756 O\n0.154715 0.151259 0.364400 O\n0.400879 0.080263 0.624278 O\n0.834421 0.307134 0.633420 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Ni",
"O"
],
"chemical_system": "Li-Mg-Ni-O",
"density": 4.592339864308801,
"density_atomic": 0.11589634653484689,
"volume": 267.4803902526741,
"volume_molar": 5.196143744004308,
"formula_full": "Li7 Mg1 Ni7 O16",
"formula_reduced": "Li7MgNi7O16",
"formula_anonymous": "AB7C7D16",
"energy": -182.15025601,
"energy_per_atom": -5.875814709999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -153.37125601,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9917306,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.903000Z",
"spacegroup": 2
},
{
"id": "mp-24645",
"created_at": "2022-09-04T14:45:22.072217Z",
"structure_string": "Er2 H6 O6\n1.0\n3.163442 -5.479242 0.000000\n3.163442 5.479242 0.000000\n0.000000 0.000000 3.484959\nEr H O\n2 6 6\ndirect\n0.666667 0.333333 0.750000 Er\n0.333333 0.666667 0.250000 Er\n0.718553 0.862052 0.750000 H\n0.856501 0.718553 0.250000 H\n0.143499 0.281447 0.750000 H\n0.281447 0.137948 0.250000 H\n0.862052 0.143499 0.250000 H\n0.137948 0.856501 0.750000 H\n0.913598 0.601223 0.250000 O\n0.601223 0.687625 0.750000 O\n0.086402 0.398777 0.750000 O\n0.398777 0.312375 0.250000 O\n0.687625 0.086402 0.250000 O\n0.312375 0.913598 0.750000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Er",
"H",
"O"
],
"chemical_system": "Er-H-O",
"density": 6.000494477787256,
"density_atomic": 0.11588307435583599,
"volume": 120.81143064094887,
"volume_molar": 5.196738862405509,
"formula_full": "Er2 H6 O6",
"formula_reduced": "Er(HO)3",
"formula_anonymous": "AB3C3",
"energy": -90.66457261,
"energy_per_atom": -6.476040900714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.54257261,
"band_gap": 3.7326,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.73e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:10.186000Z",
"spacegroup": 176
}
]
}