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"structure_string": "Al4 Te4 O16\n1.0\n4.564217 0.000000 0.000000\n0.000000 4.921016 0.000000\n0.000000 0.000000 11.595960\nAl Te O\n4 4 16\ndirect\n0.000000 0.750001 0.435902 Al\n0.000000 0.250000 0.564098 Al\n0.500000 0.250000 0.064098 Al\n0.500000 0.750001 0.935902 Al\n0.000000 0.750001 0.165855 Te\n0.000000 0.250000 0.834145 Te\n0.500000 0.750001 0.665855 Te\n0.500000 0.250000 0.334145 Te\n0.227905 0.570702 0.550935 O\n0.227905 0.070701 0.449065 O\n0.272095 0.070701 0.949065 O\n0.272095 0.570702 0.050935 O\n0.275824 0.589559 0.813620 O\n0.275824 0.089559 0.186380 O\n0.724176 0.910442 0.813620 O\n0.772095 0.929299 0.550935 O\n0.727906 0.429299 0.949065 O\n0.727906 0.929299 0.050935 O\n0.224176 0.589559 0.313620 O\n0.772095 0.429299 0.449065 O\n0.775825 0.410441 0.686380 O\n0.775825 0.910442 0.313620 O\n0.724176 0.410441 0.186380 O\n0.224176 0.089559 0.686380 O\n",
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{
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"structure_string": "Li4 Ag4 F16\n1.0\n4.743662 0.000000 0.000000\n-0.000000 5.506956 0.000000\n0.000000 0.000000 11.214249\nLi Ag F\n4 4 16\ndirect\n0.000000 0.750001 0.065615 Li\n0.000000 0.250000 0.934385 Li\n0.500000 0.750001 0.565615 Li\n0.500000 0.250000 0.434385 Li\n0.000000 0.750001 0.334093 Ag\n0.000000 0.250000 0.665907 Ag\n0.500000 0.750001 0.834093 Ag\n0.500000 0.250000 0.165907 Ag\n0.246046 0.904370 0.951685 F\n0.246046 0.404369 0.048316 F\n0.253954 0.404369 0.548316 F\n0.253954 0.904370 0.451685 F\n0.272176 0.877332 0.702999 F\n0.272176 0.377332 0.297001 F\n0.727824 0.622669 0.702999 F\n0.753954 0.595631 0.951685 F\n0.746046 0.095631 0.548316 F\n0.746046 0.595631 0.451685 F\n0.227824 0.877332 0.202999 F\n0.753954 0.095631 0.048316 F\n0.772176 0.122669 0.797001 F\n0.772176 0.622669 0.202999 F\n0.727824 0.122669 0.297001 F\n0.227824 0.377332 0.797001 F\n",
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"created_at": "2022-09-04T14:38:02.279648Z",
"updated_at": "2022-09-04T14:38:02.279669Z",
"structure_string": "Mg8 Si8 O24\n1.0\n5.362356 -0.000000 0.000000\n-0.000000 8.773154 0.000000\n0.000000 0.000000 9.342601\nMg Si O\n8 8 24\ndirect\n0.250000 0.904301 0.000000 Mg\n0.750001 0.595699 0.500000 Mg\n0.750001 0.095699 0.000000 Mg\n0.250000 0.404301 0.500000 Mg\n0.750001 0.736915 0.000000 Mg\n0.250000 0.763084 0.500000 Mg\n0.250000 0.263085 0.000000 Mg\n0.750001 0.236915 0.500000 Mg\n0.933683 0.408399 0.207776 Si\n0.433682 0.091601 0.292224 Si\n0.066318 0.091601 0.707776 Si\n0.566318 0.408399 0.792224 Si\n0.566318 0.908398 0.707776 Si\n0.433682 0.591601 0.207776 Si\n0.933683 0.908398 0.292224 Si\n0.066318 0.591601 0.792224 Si\n0.069851 0.750730 0.877399 O\n0.578605 0.406002 0.617804 O\n0.078604 0.093998 0.882196 O\n0.078604 0.593998 0.617804 O\n0.578605 0.906001 0.882196 O\n0.421396 0.593998 0.382196 O\n0.921397 0.906001 0.117804 O\n0.930149 0.749269 0.377399 O\n0.430149 0.750730 0.122601 O\n0.569852 0.749269 0.622601 O\n0.069851 0.250730 0.622601 O\n0.288411 0.973779 0.650088 O\n0.430149 0.250730 0.377399 O\n0.930149 0.249270 0.122601 O\n0.711589 0.026220 0.349911 O\n0.211589 0.473779 0.150088 O\n0.788412 0.026220 0.650088 O\n0.288411 0.473779 0.849911 O\n0.421396 0.093998 0.117804 O\n0.788412 0.526220 0.849911 O\n0.211589 0.973779 0.349911 O\n0.711589 0.526220 0.150088 O\n0.569852 0.249270 0.877399 O\n0.921397 0.406002 0.382196 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.03420358737088,
"density_atomic": 0.09100825642706276,
"volume": 439.5205618740473,
"volume_molar": 6.617136726299505,
"formula_full": "Mg8 Si8 O24",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.42321363,
"spacegroup": 60
}
]
}