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{
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{
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"structure_string": "Er8 S12 O48\n1.0\n9.235733 0.000000 0.000000\n0.000000 9.324870 0.000000\n0.000000 0.000000 12.898776\nEr S O\n8 12 48\ndirect\n0.750513 0.464062 0.383458 Er\n0.750513 0.035938 0.616542 Er\n0.749487 0.964062 0.116542 Er\n0.749487 0.535938 0.883458 Er\n0.249487 0.535938 0.616542 Er\n0.249487 0.964062 0.383458 Er\n0.250513 0.035938 0.883458 Er\n0.250513 0.464062 0.116542 Er\n0.607934 0.389740 0.645565 S\n0.607934 0.110260 0.354435 S\n0.892066 0.889740 0.854435 S\n0.892066 0.610260 0.145565 S\n0.392066 0.610260 0.354435 S\n0.392066 0.889740 0.645565 S\n0.107934 0.110260 0.145565 S\n0.107934 0.389740 0.854435 S\n0.033774 0.250000 0.500000 S\n0.466226 0.750000 0.000000 S\n0.966226 0.750000 0.500000 S\n0.533774 0.250000 0.000000 S\n0.126740 0.349437 0.559408 O\n0.126740 0.150563 0.440592 O\n0.373260 0.849437 0.940592 O\n0.373260 0.650563 0.059408 O\n0.873260 0.650563 0.440592 O\n0.873260 0.849437 0.559408 O\n0.626740 0.150563 0.059408 O\n0.626740 0.349437 0.940592 O\n0.941904 0.331082 0.426285 O\n0.941904 0.168918 0.573715 O\n0.558096 0.831082 0.073715 O\n0.558096 0.668918 0.926285 O\n0.058096 0.668918 0.573715 O\n0.058096 0.831082 0.426285 O\n0.441904 0.168918 0.926285 O\n0.441904 0.331082 0.073715 O\n0.333930 0.571212 0.457553 O\n0.666070 0.428788 0.542447 O\n0.833930 0.928788 0.957553 O\n0.833930 0.571212 0.042447 O\n0.357810 0.762230 0.331159 O\n0.357810 0.737770 0.668841 O\n0.142190 0.262230 0.168841 O\n0.142190 0.237770 0.831159 O\n0.642190 0.237770 0.668841 O\n0.642190 0.262230 0.331159 O\n0.857810 0.737770 0.831159 O\n0.857810 0.762230 0.168841 O\n0.948773 0.408713 0.853279 O\n0.948773 0.091287 0.146721 O\n0.551227 0.908713 0.646721 O\n0.551227 0.591287 0.353279 O\n0.051227 0.591287 0.146721 O\n0.051227 0.908713 0.853279 O\n0.448773 0.091287 0.353279 O\n0.448773 0.408713 0.646721 O\n0.174238 0.484192 0.775154 O\n0.174238 0.015808 0.224846 O\n0.325762 0.984192 0.724846 O\n0.325762 0.515808 0.275154 O\n0.825762 0.515808 0.224846 O\n0.825762 0.984192 0.775154 O\n0.674238 0.015808 0.275154 O\n0.674238 0.484192 0.724846 O\n0.166070 0.428788 0.957553 O\n0.166070 0.071212 0.042447 O\n0.333930 0.928788 0.542447 O\n0.666070 0.071212 0.457553 O\n",
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{
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"formation_energy_per_atom": null,
"energy_uncorrected": -35.15529351,
"band_gap": 4.273999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005324,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.560000Z",
"spacegroup": 194
}
]
}