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{
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{
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{
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{
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{
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Si\n0.638408 0.875782 0.869163 Si\n0.598272 0.350279 0.323268 Si\n0.596139 0.097045 0.850059 Si\n0.098272 0.149721 0.676732 Si\n0.142434 0.073402 0.594652 O\n0.068295 0.895823 0.670094 O\n0.207802 0.860913 0.322255 O\n0.142304 0.129004 0.788294 O\n0.390467 0.427667 0.474561 O\n0.608484 0.133646 0.732133 O\n0.335905 0.001022 0.122885 O\n0.128985 0.961506 0.907880 O\n0.519313 0.637275 0.685057 O\n0.426463 0.622542 0.156888 O\n0.357696 0.629004 0.788294 O\n0.926463 0.877458 0.843112 O\n0.851182 0.663686 0.542914 O\n0.890467 0.072333 0.525439 O\n0.292198 0.360913 0.322255 O\n0.664095 0.998978 0.877115 O\n0.618494 0.766456 0.171044 O\n0.648818 0.163686 0.542914 O\n0.105289 0.725768 0.440034 O\n0.129572 0.310399 0.078965 O\n0.252783 0.914323 0.610698 O\n0.133231 0.262549 0.643835 O\n0.629572 0.189601 0.921035 O\n0.984081 0.434870 0.126604 O\n0.609533 0.572333 0.525439 O\n0.633231 0.237451 0.356165 O\n0.515919 0.934870 0.126604 O\n0.118494 0.733544 0.828956 O\n0.015919 0.565130 0.873396 O\n0.756788 0.320995 0.850080 O\n0.381506 0.233544 0.828956 O\n0.747217 0.085677 0.389302 O\n0.341040 0.651752 0.977136 O\n0.431705 0.395823 0.670094 O\n0.628985 0.538494 0.092120 O\n0.108484 0.366354 0.267867 O\n0.939598 0.349550 0.786470 O\n0.480687 0.362725 0.314943 O\n0.841040 0.848248 0.022863 O\n0.752783 0.585677 0.389302 O\n0.792198 0.139087 0.677745 O\n0.857566 0.926598 0.405348 O\n0.399136 0.165194 0.019374 O\n0.100864 0.665194 0.019374 O\n0.148818 0.336314 0.457086 O\n0.109533 0.927667 0.474561 O\n0.899136 0.334806 0.980626 O\n0.600864 0.834806 0.980626 O\n0.371015 0.461506 0.907880 O\n0.158960 0.151752 0.977136 O\n0.243212 0.679005 0.149920 O\n0.894711 0.274232 0.559966 O\n0.299093 0.055275 0.884363 O\n0.317000 0.021871 0.371032 O\n0.857696 0.870996 0.211706 O\n0.980687 0.137275 0.685057 O\n0.366769 0.762549 0.643835 O\n0.642304 0.370996 0.211706 O\n0.060402 0.650450 0.213530 O\n0.357566 0.573402 0.594652 O\n0.568295 0.604177 0.329906 O\n0.707802 0.639087 0.677745 O\n0.073537 0.122542 0.156888 O\n0.817000 0.478129 0.628968 O\n0.370428 0.810399 0.078965 O\n0.943179 0.556152 0.396816 O\n0.891516 0.633646 0.732133 O\n0.391516 0.866354 0.267867 O\n0.560402 0.849550 0.786470 O\n0.743212 0.820995 0.850080 O\n0.256788 0.179005 0.149920 O\n0.556821 0.056152 0.396816 O\n0.799093 0.444725 0.115637 O\n0.056821 0.443848 0.603184 O\n0.700907 0.944725 0.115637 O\n0.871015 0.038494 0.092120 O\n0.931705 0.104177 0.329906 O\n0.642434 0.426598 0.405348 O\n0.683000 0.978129 0.628968 O\n0.019313 0.862725 0.314943 O\n0.247217 0.414323 0.610698 O\n0.200907 0.555275 0.884363 O\n0.658960 0.348248 0.022863 O\n0.573537 0.377458 0.843112 O\n0.443179 0.943848 0.603184 O\n0.835905 0.498978 0.877115 O\n0.866769 0.737451 0.356165 O\n0.605289 0.774232 0.559966 O\n0.439598 0.150450 0.213530 O\n0.164095 0.501022 0.122885 O\n0.484081 0.065130 0.873396 O\n0.394711 0.225768 0.440034 O\n0.183000 0.521871 0.371032 O\n0.870428 0.689601 0.921035 O\n0.351182 0.836314 0.457086 O\n0.881506 0.266456 0.171044 O\n",
"nsites": 160,
"nelements": 4,
"elements": [
"K",
"Mg",
"Si",
"O"
],
"chemical_system": "K-Mg-O-Si",
"density": 2.3625212477469737,
"density_atomic": 0.06542524304864761,
"volume": 2445.5392528084362,
"volume_molar": 9.204613509073518,
"formula_full": "K16 Mg8 Si40 O96",
"formula_reduced": "K2MgSi5O12",
"formula_anonymous": "AB2C5D12",
"energy": -1222.05329718,
"energy_per_atom": -7.637833107375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1156.10129718,
"band_gap": 4.8799,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0209246,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.371000Z",
"spacegroup": 14
}
]
}