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{
"id": "mp-684963",
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{
"id": "mp-1176215",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.983733 0.000000 0.000000\n-0.111897 5.061583 0.000000\n-0.883786 -0.890272 19.064190\nLi Mn Co O\n9 2 5 16\ndirect\n0.011430 0.606105 0.873659 Li\n0.492229 0.754375 0.749582 Li\n0.997819 0.874333 0.626136 Li\n0.497529 0.000269 0.501186 Li\n0.000621 0.125671 0.374959 Li\n0.502922 0.248086 0.250450 Li\n0.991904 0.381435 0.126658 Li\n0.504184 0.491752 0.995547 Li\n0.488308 0.140927 0.876624 Li\n0.005239 0.004442 0.996305 Mn\n0.507453 0.626139 0.375907 Mn\n0.997537 0.249605 0.754942 Co\n0.493133 0.369463 0.625834 Co\n0.990076 0.498952 0.501602 Co\n0.001152 0.750913 0.248309 Co\n0.507692 0.868416 0.123950 Co\n0.486968 0.837799 0.945107 O\n0.999939 0.971560 0.804446 O\n0.535221 0.082002 0.687243 O\n0.986891 0.209467 0.562326 O\n0.527409 0.332096 0.438962 O\n0.044084 0.454452 0.310385 O\n0.489498 0.582233 0.186409 O\n0.038133 0.711481 0.064381 O\n0.472362 0.430971 0.807435 O\n0.004910 0.529039 0.688924 O\n0.457040 0.665666 0.563528 O\n0.970860 0.793027 0.440168 O\n0.514569 0.918735 0.311775 O\n0.965815 0.042787 0.185712 O\n0.523636 0.150931 0.058065 O\n0.993444 0.296874 0.943482 O\n",
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{
"id": "mp-1254352",
"created_at": "2022-09-04T14:41:46.930724Z",
"structure_string": "Ti8 Zn12 Si12 O48\n1.0\n-5.983294 5.983294 5.983294\n5.983294 -5.983294 5.983294\n5.983294 5.983294 -5.983294\nTi Zn Si O\n8 12 12 48\ndirect\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.375000 0.125000 Zn\n0.750000 0.125000 0.375000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.375000 0.750000 Zn\n0.250000 0.875000 0.625000 Zn\n0.125000 0.250000 0.375000 Zn\n0.625000 0.250000 0.875000 Zn\n0.750000 0.625000 0.875000 Zn\n0.875000 0.750000 0.625000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.875000 0.750000 Zn\n0.375000 0.750000 0.125000 Zn\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.585156 0.892821 0.377369 O\n0.377369 0.585156 0.892821 O\n0.292213 0.307665 0.914844 O\n0.484548 0.607179 0.192335 O\n0.307665 0.892821 0.015452 O\n0.122631 0.015452 0.207787 O\n0.377369 0.292213 0.484548 O\n0.892821 0.377369 0.585156 O\n0.192335 0.207787 0.585156 O\n0.484548 0.377369 0.292213 O\n0.892821 0.015452 0.307665 O\n0.607179 0.914844 0.122631 O\n0.914844 0.122631 0.607179 O\n0.292213 0.484548 0.377369 O\n0.585156 0.192335 0.207787 O\n0.207787 0.585156 0.192335 O\n0.015452 0.307665 0.892821 O\n0.914844 0.292213 0.307665 O\n0.015452 0.207787 0.122631 O\n0.807665 0.792213 0.414844 O\n0.192335 0.484548 0.607179 O\n0.607179 0.192335 0.484548 O\n0.207787 0.122631 0.015452 O\n0.122631 0.607179 0.914844 O\n0.414844 0.107179 0.622631 O\n0.622631 0.414844 0.107179 O\n0.707787 0.692335 0.085156 O\n0.515452 0.392821 0.807665 O\n0.692335 0.107179 0.984548 O\n0.877369 0.984548 0.792213 O\n0.622631 0.707787 0.515452 O\n0.107179 0.622631 0.414844 O\n0.877369 0.392821 0.085156 O\n0.792213 0.877369 0.984548 O\n0.392821 0.807665 0.515452 O\n0.692335 0.085156 0.707787 O\n0.807665 0.515452 0.392821 O\n0.984548 0.792213 0.877369 O\n0.085156 0.707787 0.692335 O\n0.984548 0.692335 0.107179 O\n0.792213 0.414844 0.807665 O\n0.414844 0.807665 0.792213 O\n0.707787 0.515452 0.622631 O\n0.085156 0.877369 0.392821 O\n0.392821 0.085156 0.877369 O\n0.107179 0.984548 0.692335 O\n0.515452 0.622631 0.707787 O\n0.307665 0.914844 0.292213 O\n",
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{
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"structure_string": "Li4 Mn2 V6 O16\n1.0\n-2.982305 5.150750 -0.006218\n-2.965810 -1.719309 9.782252\n2.969929 5.143487 -0.001208\nLi Mn V O\n4 2 6 16\ndirect\n0.306307 0.563714 0.380943 Li\n0.813955 0.065069 0.380999 Li\n0.194228 0.936016 0.616904 Li\n0.685847 0.434831 0.619387 Li\n0.750664 0.749285 0.499476 Mn\n0.248863 0.250357 0.501133 Mn\n0.249556 0.750238 0.001045 V\n0.751325 0.749271 0.999410 V\n0.993907 0.501027 0.001172 V\n0.750175 0.250445 0.001073 V\n0.250230 0.249697 0.999785 V\n0.506984 0.999591 0.996560 V\n0.091824 0.636467 0.789336 O\n0.616537 0.136159 0.791240 O\n0.411018 0.865256 0.207545 O\n0.882329 0.362795 0.209954 O\n0.870158 0.857548 0.249147 O\n0.384953 0.356929 0.250702 O\n0.095779 0.632543 0.247048 O\n0.601713 0.134923 0.245430 O\n0.643826 0.638889 0.252170 O\n0.153785 0.137149 0.247077 O\n0.855072 0.860435 0.746531 O\n0.345114 0.363471 0.755694 O\n0.408293 0.867592 0.751904 O\n0.893426 0.364943 0.757100 O\n0.629585 0.642458 0.750933 O\n0.114543 0.142900 0.750307 O\n",
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"elements": [
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],
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"formula_full": "Li4 Mn2 V6 O16",
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},
{
"id": "mp-1245559",
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"structure_string": "Cd16 Si16 N32\n1.0\n5.313359 0.000000 0.000000\n0.000000 10.643691 0.000000\n0.000000 0.000000 13.873016\nCd Si N\n16 16 32\ndirect\n0.726705 0.977698 0.438592 Cd\n0.226705 0.522302 0.561408 Cd\n0.273295 0.477698 0.061408 Cd\n0.773295 0.022302 0.938592 Cd\n0.273295 0.022302 0.561408 Cd\n0.773295 0.477698 0.438592 Cd\n0.726705 0.522302 0.938592 Cd\n0.226705 0.977698 0.061408 Cd\n0.791304 0.255816 0.312000 Cd\n0.291304 0.244184 0.688000 Cd\n0.208696 0.755816 0.188000 Cd\n0.708696 0.744184 0.812000 Cd\n0.208696 0.744184 0.688000 Cd\n0.708696 0.755816 0.312000 Cd\n0.791304 0.244184 0.812000 Cd\n0.291304 0.255816 0.188000 Cd\n0.690357 0.022098 0.187357 Si\n0.190357 0.477902 0.812643 Si\n0.309643 0.522098 0.312643 Si\n0.809643 0.977902 0.687357 Si\n0.309643 0.977902 0.812643 Si\n0.809643 0.522098 0.187357 Si\n0.690357 0.477902 0.687357 Si\n0.190357 0.022098 0.312643 Si\n0.787161 0.277245 0.061769 Si\n0.287161 0.222755 0.938231 Si\n0.212839 0.777245 0.438231 Si\n0.712839 0.722755 0.561769 Si\n0.212839 0.722755 0.938231 Si\n0.712839 0.777245 0.061769 Si\n0.787161 0.222755 0.561769 Si\n0.287161 0.277245 0.438231 Si\n0.623660 0.483406 0.287121 N\n0.123660 0.016594 0.712879 N\n0.376340 0.983406 0.212879 N\n0.876340 0.516594 0.787121 N\n0.376340 0.516594 0.712879 N\n0.876340 0.983406 0.287121 N\n0.623660 0.016594 0.787121 N\n0.123660 0.483406 0.212879 N\n0.613461 0.267380 0.460386 N\n0.113461 0.232620 0.539614 N\n0.386539 0.767380 0.039614 N\n0.886539 0.732620 0.960386 N\n0.386539 0.732620 0.539614 N\n0.886539 0.767380 0.460386 N\n0.613461 0.232620 0.960386 N\n0.113461 0.267380 0.039614 N\n0.711308 0.435417 0.086392 N\n0.211308 0.064583 0.913608 N\n0.288692 0.935417 0.413608 N\n0.788692 0.564583 0.586392 N\n0.288692 0.564583 0.913608 N\n0.788692 0.935417 0.086392 N\n0.711308 0.064583 0.586392 N\n0.211308 0.435417 0.413608 N\n0.704835 0.185099 0.162315 N\n0.204835 0.314901 0.837685 N\n0.295165 0.685099 0.337685 N\n0.795165 0.814901 0.662315 N\n0.295165 0.814901 0.837685 N\n0.795165 0.685099 0.162315 N\n0.704835 0.314901 0.662315 N\n0.204835 0.185099 0.337685 N\n",
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"elements": [
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],
"chemical_system": "Cd-N-Si",
"density": 5.706399798180804,
"density_atomic": 0.08157323179078764,
"volume": 784.5710975892431,
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"formula_full": "Cd16 Si16 N32",
"formula_reduced": "CdSiN2",
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"updated_at": "2021-11-28T01:35:23.315000Z",
"spacegroup": 61
},
{
"id": "mp-1206110",
"created_at": "2022-09-04T14:41:47.077424Z",
"structure_string": "Mn1 Cu1 Pt6\n1.0\n0.000000 3.918789 3.918789\n3.918789 0.000000 3.918789\n3.918789 3.918789 0.000000\nMn Cu Pt\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
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"elements": [
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],
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"volume": 120.36095822662199,
"volume_molar": 9.06038290561497,
"formula_full": "Mn1 Cu1 Pt6",
"formula_reduced": "MnCuPt6",
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"updated_at": "2021-11-28T01:35:26.381000Z",
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},
{
"id": "mp-1218963",
"created_at": "2022-09-04T14:41:47.371698Z",
"structure_string": "Sm1 V2 Bi1 O8\n1.0\n-3.692666 3.692666 3.238205\n3.692666 -3.692666 3.238205\n3.692666 3.692666 -3.238205\nSm V Bi O\n1 2 1 8\ndirect\n0.250000 0.750000 0.500000 Sm\n0.750000 0.250000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 Bi\n0.924040 0.604170 0.680131 O\n0.488257 0.671090 0.817167 O\n0.853923 0.671090 0.182833 O\n0.924040 0.243909 0.319869 O\n0.328910 0.146077 0.817167 O\n0.756091 0.075960 0.680131 O\n0.395830 0.075960 0.319869 O\n0.328910 0.511743 0.182833 O\n",
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],
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"formula_full": "Sm1 V2 Bi1 O8",
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"energy": -98.39444443,
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]
}