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{
"id": "mp-1183161",
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{
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{
"id": "mp-984873",
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"structure_string": "Al6 Fe2\n1.0\n2.687488 -4.654865 0.000000\n2.687488 4.654865 0.000000\n0.000000 0.000000 4.373849\nAl Fe\n6 2\ndirect\n0.171303 0.342607 0.250000 Al\n0.657393 0.828697 0.250000 Al\n0.171303 0.828697 0.250000 Al\n0.828697 0.657393 0.750000 Al\n0.342607 0.171303 0.750000 Al\n0.828697 0.171303 0.750000 Al\n0.333333 0.666667 0.750000 Fe\n0.666667 0.333333 0.250000 Fe\n",
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},
{
"id": "mp-1190708",
"created_at": "2022-09-04T14:39:33.332861Z",
"structure_string": "Al12 Fe8 Si4\n1.0\n0.000000 5.373064 5.373064\n5.373064 0.000000 5.373064\n5.373064 5.373064 0.000000\nAl Fe Si\n12 8 4\ndirect\n0.800233 0.800233 0.199767 Al\n0.199767 0.199767 0.800233 Al\n0.800233 0.199767 0.800233 Al\n0.199767 0.800233 0.199767 Al\n0.199767 0.800233 0.800233 Al\n0.800233 0.199767 0.199767 Al\n0.449767 0.449767 0.050233 Al\n0.050233 0.050233 0.449767 Al\n0.449767 0.050233 0.449767 Al\n0.050233 0.449767 0.050233 Al\n0.050233 0.449767 0.449767 Al\n0.449767 0.050233 0.050233 Al\n0.769814 0.410062 0.410062 Fe\n0.410062 0.769814 0.410062 Fe\n0.410062 0.410062 0.769814 Fe\n0.410062 0.410062 0.410062 Fe\n0.480186 0.839938 0.839938 Fe\n0.839938 0.480186 0.839938 Fe\n0.839938 0.839938 0.480186 Fe\n0.839938 0.839938 0.839938 Fe\n0.125000 0.625000 0.625000 Si\n0.625000 0.125000 0.625000 Si\n0.625000 0.625000 0.125000 Si\n0.625000 0.625000 0.625000 Si\n",
"nsites": 24,
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"elements": [
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},
{
"id": "mp-29066",
"created_at": "2022-09-04T14:47:25.676357Z",
"structure_string": "Al24 Fe16 Si24\n1.0\n8.357585 0.000000 0.000000\n0.000000 7.136225 0.000000\n0.000000 6.168558 14.366804\nAl Fe Si\n24 16 24\ndirect\n0.877848 0.925474 0.277058 Al\n0.377848 0.074526 0.222942 Al\n0.122152 0.074526 0.722942 Al\n0.622152 0.925474 0.777058 Al\n0.376755 0.624027 0.324763 Al\n0.876755 0.375973 0.175237 Al\n0.623245 0.375973 0.675237 Al\n0.123245 0.624027 0.824763 Al\n0.886449 0.102863 0.943941 Al\n0.386449 0.897137 0.556059 Al\n0.113551 0.897137 0.056059 Al\n0.613551 0.102863 0.443941 Al\n0.362835 0.100794 0.949772 Al\n0.862835 0.899206 0.550228 Al\n0.637165 0.899206 0.050228 Al\n0.137165 0.100794 0.449772 Al\n0.794937 0.489710 0.822201 Al\n0.294937 0.510290 0.677799 Al\n0.205063 0.510290 0.177799 Al\n0.705063 0.489710 0.322201 Al\n0.452852 0.492381 0.831209 Al\n0.952852 0.507619 0.668791 Al\n0.547148 0.507619 0.168791 Al\n0.047148 0.492381 0.331209 Al\n0.876585 0.704322 0.030188 Fe\n0.376585 0.295678 0.469812 Fe\n0.123415 0.295678 0.969812 Fe\n0.623415 0.704322 0.530188 Fe\n0.373469 0.702203 0.034643 Fe\n0.873469 0.297797 0.465357 Fe\n0.626531 0.297797 0.965357 Fe\n0.126531 0.702203 0.534643 Fe\n0.863136 0.174876 0.771139 Fe\n0.363136 0.825124 0.728861 Fe\n0.136864 0.825124 0.228861 Fe\n0.636864 0.174876 0.271139 Fe\n0.382849 0.171700 0.772861 Fe\n0.882849 0.828300 0.727139 Fe\n0.617151 0.828300 0.227139 Fe\n0.117151 0.171700 0.272861 Fe\n0.878857 0.639085 0.466411 Si\n0.378857 0.360915 0.033589 Si\n0.121143 0.360915 0.533589 Si\n0.621143 0.639085 0.966411 Si\n0.372386 0.611039 0.489219 Si\n0.872386 0.388961 0.010781 Si\n0.627614 0.388961 0.510781 Si\n0.127614 0.611039 0.989219 Si\n0.889020 0.831318 0.873232 Si\n0.389020 0.168682 0.626768 Si\n0.110980 0.168682 0.126768 Si\n0.610980 0.831318 0.373232 Si\n0.354369 0.830474 0.875782 Si\n0.854369 0.169526 0.624218 Si\n0.645631 0.169526 0.124218 Si\n0.145631 0.830474 0.375782 Si\n0.878215 0.183566 0.348449 Si\n0.378215 0.816434 0.151551 Si\n0.121785 0.816434 0.651551 Si\n0.621785 0.183566 0.848449 Si\n0.375251 0.262809 0.327604 Si\n0.875251 0.737191 0.172396 Si\n0.624749 0.737191 0.672396 Si\n0.124749 0.262809 0.827604 Si\n",
"nsites": 64,
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"elements": [
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"density": 4.292779705137738,
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"volume": 856.859278252876,
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"formula_full": "Al24 Fe16 Si24",
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{
"id": "mp-505229",
"created_at": "2022-09-04T14:47:09.630347Z",
"structure_string": "Al12 Fe4 Si8\n1.0\n6.065562 0.000000 0.000000\n0.000000 6.072298 0.000000\n0.000000 0.000000 9.483552\nAl Fe Si\n12 4 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.140393 0.633596 0.863790 Al\n0.640393 0.866404 0.136210 Al\n0.859607 0.633596 0.636210 Al\n0.359607 0.866404 0.363790 Al\n0.859607 0.366404 0.136210 Al\n0.359607 0.133596 0.863790 Al\n0.140393 0.366404 0.363790 Al\n0.640393 0.133596 0.636210 Al\n0.000000 0.011164 0.250000 Fe\n0.500000 0.488836 0.750000 Fe\n0.000000 0.988836 0.750000 Fe\n0.500000 0.511164 0.250000 Fe\n0.162794 0.671170 0.154440 Si\n0.662794 0.828830 0.845560 Si\n0.837206 0.671170 0.345560 Si\n0.337206 0.828830 0.654440 Si\n0.837206 0.328830 0.845560 Si\n0.337206 0.171170 0.154440 Si\n0.162794 0.328830 0.654440 Si\n0.662794 0.171170 0.345560 Si\n",
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{
"id": "mp-1228467",
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"structure_string": "Al6 Fe2 Si4\n1.0\n-3.020895 3.020895 4.777570\n3.020895 -3.020895 4.777570\n3.020895 3.020895 -4.777570\nAl Fe Si\n6 2 4\ndirect\n0.498200 0.498200 0.000000 Al\n0.998200 0.998200 0.000000 Al\n0.484488 0.305090 0.500000 Al\n0.805090 0.984488 0.500000 Al\n0.984488 0.484488 0.179398 Al\n0.305090 0.805090 0.820602 Al\n0.755149 0.755149 0.000000 Fe\n0.255149 0.255149 0.000000 Fe\n0.501023 0.706050 0.500000 Si\n0.206050 0.001023 0.500000 Si\n0.001023 0.501023 0.794973 Si\n0.706050 0.206050 0.205027 Si\n",
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{
"id": "mp-1214903",
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"structure_string": "Al12 Fe4 Si4 B4 O36\n1.0\n5.833527 0.000000 0.000000\n0.000000 10.461323 0.000000\n0.000000 0.000000 11.237627\nAl Fe Si B O\n12 4 4 4 36\ndirect\n0.250000 0.273270 0.052007 Al\n0.750000 0.726730 0.947993 Al\n0.750000 0.773270 0.447993 Al\n0.250000 0.226730 0.552007 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.250000 0.406408 0.281325 Fe\n0.750000 0.593592 0.718675 Fe\n0.750000 0.906408 0.218675 Fe\n0.250000 0.093592 0.781325 Fe\n0.250000 0.065040 0.236324 Si\n0.750000 0.934960 0.763676 Si\n0.750000 0.565040 0.263676 Si\n0.250000 0.434960 0.736324 Si\n0.250000 0.748987 0.000068 B\n0.750000 0.251013 0.999932 B\n0.750000 0.248987 0.499932 B\n0.250000 0.751013 0.500068 B\n0.045820 0.680961 0.000953 O\n0.954180 0.319039 0.999047 O\n0.954180 0.180961 0.499047 O\n0.545820 0.319039 0.999047 O\n0.045820 0.819039 0.500953 O\n0.454180 0.680961 0.000953 O\n0.454180 0.819039 0.500953 O\n0.545820 0.180961 0.499047 O\n0.024503 0.006070 0.169540 O\n0.975497 0.993930 0.830460 O\n0.975497 0.506070 0.330460 O\n0.524503 0.993930 0.830460 O\n0.024503 0.493930 0.669540 O\n0.475497 0.006070 0.169540 O\n0.475497 0.493930 0.669540 O\n0.524503 0.506070 0.330460 O\n0.250000 0.452838 0.095836 O\n0.750000 0.547162 0.904164 O\n0.750000 0.952838 0.404164 O\n0.250000 0.047162 0.595836 O\n0.250000 0.221904 0.208342 O\n0.750000 0.778096 0.791658 O\n0.750000 0.721904 0.291658 O\n0.250000 0.278096 0.708342 O\n0.250000 0.025908 0.378222 O\n0.750000 0.974092 0.621778 O\n0.750000 0.525908 0.121778 O\n0.250000 0.474092 0.878222 O\n0.250000 0.382502 0.480800 O\n0.750000 0.617498 0.519200 O\n0.750000 0.882502 0.019200 O\n0.250000 0.117498 0.980800 O\n0.250000 0.621588 0.495774 O\n0.750000 0.378412 0.504226 O\n0.750000 0.121588 0.004226 O\n0.250000 0.878412 0.995774 O\n",
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{
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{
"id": "mp-1228603",
"created_at": "2022-09-04T14:46:39.354325Z",
"structure_string": "Al3 Ga3 Ni10\n1.0\n0.000000 0.000000 3.727739\n3.752389 3.319363 0.000000\n-7.503539 6.639063 0.000000\nAl Ga Ni\n3 3 10\ndirect\n0.500000 0.279746 0.358474 Al\n0.500000 0.281153 0.861027 Al\n0.500000 0.718945 0.140122 Al\n0.500000 0.719186 0.640986 Ga\n0.000000 0.000196 0.000049 Ga\n0.000000 0.002796 0.498412 Ga\n0.500000 0.774448 0.386223 Ni\n0.500000 0.775064 0.888685 Ni\n0.500000 0.225071 0.112424 Ni\n0.500000 0.225393 0.612647 Ni\n0.000000 0.998799 0.249104 Ni\n0.000000 0.000946 0.750467 Ni\n0.000000 0.500700 0.000824 Ni\n0.000000 0.500326 0.499176 Ni\n0.000000 0.499206 0.250001 Ni\n0.000000 0.498022 0.751377 Ni\n",
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"density": 7.842039144241589,
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"formula_full": "Al3 Ga3 Ni10",
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{
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"structure_string": "Al3 Ga1 N4\n1.0\n3.148585 0.000000 0.000000\n0.000000 5.077681 0.000000\n0.000000 0.003230 5.451585\nAl Ga N\n3 1 4\ndirect\n0.500000 0.499789 0.832708 Al\n0.500000 0.000857 0.164936 Al\n0.000000 0.000727 0.668559 Al\n0.000000 0.499937 0.333683 Ga\n0.000000 0.110525 0.333781 N\n0.500000 0.122601 0.832849 N\n0.500000 0.625858 0.158923 N\n0.000000 0.623307 0.674560 N\n",
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],
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"density": 3.937986452360575,
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"formula_full": "Al3 Ga1 N4",
"formula_reduced": "Al3GaN4",
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{
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"structure_string": "Al3 Ga1 N4\n1.0\n4.431571 0.000000 0.000000\n0.000000 4.431571 0.000000\n0.000000 0.000000 4.431571\nAl Ga N\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ga\n0.744051 0.744051 0.255949 N\n0.744051 0.255949 0.744051 N\n0.255949 0.744051 0.744051 N\n0.255949 0.255949 0.255949 N\n",
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"formula_reduced": "Al3GaN4",
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]
}