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{
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{
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{
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{
"id": "mp-997048",
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"structure_string": "Ag2 Br2 O4\n1.0\n10.759145 2.507600 0.000000\n-10.759145 2.507600 0.000000\n0.000000 0.089466 3.617378\nAg Br O\n2 2 4\ndirect\n0.500000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.342460 0.657540 0.750000 Br\n0.657540 0.342460 0.250000 Br\n0.091990 0.153750 0.245750 O\n0.908010 0.846250 0.754250 O\n0.846250 0.908010 0.254250 O\n0.153750 0.091990 0.745750 O\n",
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{
"id": "mp-997047",
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"structure_string": "Ag2 Br2 O4\n1.0\n3.596241 0.000000 0.000000\n0.000000 4.215010 0.000000\n0.000000 1.087749 10.994881\nAg Br O\n2 2 4\ndirect\n0.750000 0.852496 0.905771 Ag\n0.250000 0.147504 0.094229 Ag\n0.750000 0.635479 0.159895 Br\n0.250000 0.364521 0.840105 Br\n0.750000 0.197778 0.525654 O\n0.250000 0.071621 0.419829 O\n0.750000 0.928379 0.580171 O\n0.250000 0.802222 0.474346 O\n",
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{
"id": "mp-570301",
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{
"id": "mp-23474",
"created_at": "2022-09-04T14:43:59.364216Z",
"structure_string": "Ag2 Bi6 S10\n1.0\n2.030359 6.829697 0.000000\n-2.030359 6.829697 0.000000\n0.000000 1.603151 16.619486\nAg Bi S\n2 6 10\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.219773 0.219773 0.606053 Bi\n0.780227 0.780227 0.393947 Bi\n0.474453 0.474453 0.782979 Bi\n0.525547 0.525547 0.217021 Bi\n0.736524 0.736524 0.891172 Bi\n0.263476 0.263476 0.108828 Bi\n0.848783 0.848783 0.534583 S\n0.151217 0.151217 0.465417 S\n0.575866 0.575866 0.635834 S\n0.424134 0.424134 0.364166 S\n0.846217 0.846217 0.744231 S\n0.153783 0.153783 0.255769 S\n0.089190 0.089190 0.859407 S\n0.910810 0.910810 0.140593 S\n0.646371 0.646371 0.057532 S\n0.353629 0.353629 0.942468 S\n",
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{
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"structure_string": "Ag2 Bi6 Pb2 S12\n1.0\n2.060103 -6.863690 0.000000\n2.060103 6.863690 0.000000\n0.000000 0.000000 20.000883\nAg Bi Pb S\n2 6 2 12\ndirect\n0.060839 0.939161 0.140160 Ag\n0.939161 0.060839 0.640160 Ag\n0.369806 0.630194 0.456657 Bi\n0.644141 0.355859 0.554766 Bi\n0.355859 0.644141 0.054766 Bi\n0.630194 0.369806 0.956657 Bi\n0.900182 0.099818 0.858824 Bi\n0.099818 0.900182 0.358824 Bi\n0.823424 0.176576 0.243212 Pb\n0.176576 0.823424 0.743212 Pb\n0.984095 0.015905 0.506898 S\n0.015905 0.984095 0.006898 S\n0.738275 0.261725 0.405097 S\n0.260860 0.739140 0.589695 S\n0.739140 0.260860 0.089695 S\n0.261725 0.738275 0.905097 S\n0.175167 0.824833 0.240237 S\n0.824833 0.175167 0.740237 S\n0.464169 0.535831 0.336730 S\n0.556108 0.443892 0.667722 S\n0.443892 0.556108 0.167722 S\n0.535831 0.464169 0.836730 S\n",
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{
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"structure_string": "Ag2 Bi4 W2 O16\n1.0\n-0.051486 0.000000 -8.287532\n-3.669263 -5.774913 3.492648\n-3.669263 5.774913 3.492648\nAg Bi W O\n2 4 2 16\ndirect\n0.601201 0.722149 0.722149 Ag\n0.398799 0.277851 0.277851 Ag\n0.990849 0.253793 0.253793 Bi\n0.009151 0.746207 0.746207 Bi\n0.500000 0.829688 0.170312 Bi\n0.500000 0.170312 0.829688 Bi\n0.000000 0.753771 0.246229 W\n0.000000 0.246229 0.753771 W\n0.849516 0.438389 0.163894 O\n0.150484 0.561611 0.836106 O\n0.150484 0.836106 0.561611 O\n0.849516 0.163894 0.438389 O\n0.744362 0.723313 0.199066 O\n0.255638 0.276687 0.800934 O\n0.255638 0.800934 0.276687 O\n0.744362 0.199066 0.723313 O\n0.863969 0.686561 0.930259 O\n0.136031 0.313439 0.069741 O\n0.136031 0.069741 0.313439 O\n0.863969 0.930259 0.686561 O\n0.652846 0.991390 0.991390 O\n0.347154 0.008610 0.008610 O\n0.730842 0.471490 0.471490 O\n0.269158 0.528510 0.528510 O\n",
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{
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"structure_string": "Ag2 Bi4 Se6 Cl2\n1.0\n4.149315 0.000000 0.000000\n0.000000 8.150123 0.000000\n0.000000 2.773238 10.965373\nAg Bi Se Cl\n2 4 6 2\ndirect\n0.750000 0.047113 0.587058 Ag\n0.250000 0.952887 0.412942 Ag\n0.250000 0.809003 0.934253 Bi\n0.750000 0.190997 0.065747 Bi\n0.750000 0.532653 0.656275 Bi\n0.250000 0.467347 0.343725 Bi\n0.250000 0.795912 0.665503 Se\n0.250000 0.955560 0.150138 Se\n0.250000 0.309768 0.587890 Se\n0.750000 0.690232 0.412110 Se\n0.750000 0.204088 0.334497 Se\n0.750000 0.044440 0.849862 Se\n0.250000 0.403361 0.902062 Cl\n0.750000 0.596639 0.097938 Cl\n",
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{
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{
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"density_atomic": 0.07108759273367356,
"volume": 337.6116573522881,
"volume_molar": 8.471437178301532,
"formula_full": "Ag2 Bi2 W4 O16",
"formula_reduced": "AgBi(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -188.9739228,
"energy_per_atom": -7.87391345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.2299228,
"band_gap": 2.9907,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006932,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.090000Z",
"spacegroup": 12
}
]
}