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{
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{
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{
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{
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{
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"id": "mp-728227",
"created_at": "2022-09-04T14:46:37.925227Z",
"structure_string": "Na1 Mg3 Al6 Si6 B3 O31\n1.0\n5.254657 -8.069998 0.000000\n5.254657 8.069998 0.000000\n-7.139087 0.000000 6.462950\nNa Mg Al Si B O\n1 3 6 6 3 31\ndirect\n0.768428 0.768428 0.768428 Na\n0.281025 0.090293 0.090293 Mg\n0.090293 0.281025 0.090293 Mg\n0.090293 0.090293 0.281025 Mg\n0.881939 0.106879 0.444053 Al\n0.444053 0.881939 0.106879 Al\n0.106879 0.444053 0.881939 Al\n0.444053 0.106879 0.881939 Al\n0.881939 0.444053 0.106879 Al\n0.106879 0.881939 0.444053 Al\n0.721760 0.528008 0.339045 Si\n0.339045 0.721760 0.528008 Si\n0.528008 0.339045 0.721760 Si\n0.339045 0.528008 0.721760 Si\n0.721760 0.339045 0.528008 Si\n0.528008 0.721760 0.339045 Si\n0.095755 0.095755 0.766117 B\n0.766117 0.095755 0.095755 B\n0.095755 0.766117 0.095755 B\n0.293758 0.293758 0.293758 O\n0.066818 0.066818 0.882929 O\n0.882929 0.066818 0.066818 O\n0.066818 0.882929 0.066818 O\n0.341980 0.935627 0.935627 O\n0.935627 0.341980 0.935627 O\n0.935627 0.935627 0.341980 O\n0.691680 0.691680 0.410347 O\n0.410347 0.691680 0.691680 O\n0.691680 0.410347 0.691680 O\n0.796075 0.521816 0.521816 O\n0.521816 0.796075 0.521816 O\n0.521816 0.521816 0.796075 O\n0.505743 0.299379 0.116424 O\n0.116424 0.505743 0.299379 O\n0.299379 0.116424 0.505743 O\n0.116424 0.299379 0.505743 O\n0.505743 0.116424 0.299379 O\n0.299379 0.505743 0.116424 O\n0.898450 0.613983 0.328070 O\n0.328070 0.898450 0.613983 O\n0.613983 0.328070 0.898450 O\n0.328070 0.613983 0.898450 O\n0.898450 0.328070 0.613983 O\n0.613983 0.898450 0.328070 O\n0.036631 0.186848 0.706512 O\n0.706512 0.036631 0.186848 O\n0.186848 0.706512 0.036631 O\n0.706512 0.186848 0.036631 O\n0.036631 0.706512 0.186848 O\n0.186848 0.036631 0.706512 O\n",
"nsites": 50,
"nelements": 6,
"elements": [
"Na",
"Mg",
"Al",
"Si",
"B",
"O"
],
"chemical_system": "Al-B-Mg-Na-O-Si",
"density": 2.892325482317552,
"density_atomic": 0.09122028252543467,
"volume": 548.1237134521991,
"volume_molar": 6.601756312606097,
"formula_full": "Na1 Mg3 Al6 Si6 B3 O31",
"formula_reduced": "NaMg3Al6Si6B3O31",
"formula_anonymous": "AB3C3D6E6F31",
"energy": -386.43857629,
"energy_per_atom": -7.7287715258,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -365.14157629,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0006352,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.886000Z",
"spacegroup": 160
}
]
}