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{
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{
"id": "mp-11902",
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"structure_string": "Ba4 Ge2 Se8\n1.0\n7.180042 0.000000 0.000000\n0.000000 7.218775 0.000000\n0.000000 2.941666 8.784710\nBa Ge Se\n4 2 8\ndirect\n0.250000 0.274028 0.929344 Ba\n0.750000 0.725972 0.070656 Ba\n0.250000 0.221233 0.450289 Ba\n0.750000 0.778767 0.549711 Ba\n0.750000 0.211900 0.707069 Ge\n0.250000 0.788100 0.292931 Ge\n0.008617 0.996134 0.768165 Se\n0.508617 0.003866 0.231835 Se\n0.991383 0.003866 0.231835 Se\n0.491383 0.996134 0.768165 Se\n0.750000 0.373582 0.438888 Se\n0.250000 0.626418 0.561112 Se\n0.750000 0.411881 0.869324 Se\n0.250000 0.588119 0.130676 Se\n",
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{
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"structure_string": "Ba4 Ge2 Te4 Se4\n1.0\n7.287597 0.000000 0.000000\n0.000000 7.563825 0.000000\n0.000000 3.005464 9.005659\nBa Ge Te Se\n4 2 4 4\ndirect\n0.250000 0.762062 0.059739 Ba\n0.250000 0.786275 0.551151 Ba\n0.750000 0.213725 0.448849 Ba\n0.750000 0.237938 0.940261 Ba\n0.250000 0.211338 0.702984 Ge\n0.750000 0.788662 0.297016 Ge\n0.250000 0.401723 0.888657 Te\n0.250000 0.379104 0.417740 Te\n0.750000 0.620896 0.582260 Te\n0.750000 0.598277 0.111343 Te\n0.504803 0.002499 0.759850 Se\n0.004803 0.997501 0.240150 Se\n0.495197 0.997501 0.240150 Se\n0.995197 0.002499 0.759850 Se\n",
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"spacegroup": 11
},
{
"id": "mp-1228102",
"created_at": "2022-09-04T14:39:27.110435Z",
"structure_string": "Ba4 Ge2 Te5 Se3\n1.0\n7.422591 0.000000 0.000000\n-0.013087 7.635690 0.000000\n-0.004309 -3.000884 9.065315\nBa Ge Te Se\n4 2 5 3\ndirect\n0.743004 0.236899 0.054280 Ba\n0.256830 0.764840 0.936199 Ba\n0.743336 0.222962 0.558657 Ba\n0.254965 0.778051 0.449996 Ba\n0.750720 0.788026 0.700632 Ge\n0.257109 0.217696 0.300386 Ge\n0.749657 0.602765 0.888801 Te\n0.252218 0.400598 0.111309 Te\n0.748716 0.614595 0.418559 Te\n0.252025 0.385203 0.583931 Te\n0.986292 0.989538 0.240234 Te\n0.498150 0.994730 0.756128 Se\n0.002121 0.995487 0.756392 Se\n0.504855 0.008611 0.244496 Se\n",
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"formula_full": "Ba4 Ge2 Te5 Se3",
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},
{
"id": "mp-1227766",
"created_at": "2022-09-04T14:47:01.992335Z",
"structure_string": "Ba4 Si4 Ge4\n1.0\n6.898857 0.000000 0.000000\n0.000000 6.898857 0.000000\n0.000000 0.000000 6.898857\nBa Si Ge\n4 4 4\ndirect\n0.373897 0.873897 0.626103 Ba\n0.626103 0.373897 0.873897 Ba\n0.873897 0.626103 0.373897 Ba\n0.126103 0.126103 0.126103 Ba\n0.077236 0.577236 0.922764 Si\n0.577236 0.922764 0.077236 Si\n0.922764 0.077236 0.577236 Si\n0.422764 0.422764 0.422764 Si\n0.671998 0.171998 0.328002 Ge\n0.328002 0.671998 0.171998 Ge\n0.171998 0.328002 0.671998 Ge\n0.828002 0.828002 0.828002 Ge\n",
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"formula_full": "Ba4 Si4 Ge4",
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{
"id": "mp-1197017",
"created_at": "2022-09-04T14:41:24.348340Z",
"structure_string": "Ba8 Ge4 Sb16 S40\n1.0\n11.638935 0.000000 0.000000\n0.000000 11.638935 0.000000\n0.000000 0.000000 13.803480\nBa Ge Sb S\n8 4 16 40\ndirect\n0.764104 0.264104 0.750000 Ba\n0.264104 0.235896 0.250000 Ba\n0.735896 0.764104 0.750000 Ba\n0.764104 0.264104 0.250000 Ba\n0.264104 0.235896 0.750000 Ba\n0.735896 0.764104 0.250000 Ba\n0.235896 0.735896 0.250000 Ba\n0.235896 0.735896 0.750000 Ba\n0.500000 0.500000 0.750000 Ge\n0.500000 0.500000 0.250000 Ge\n0.000000 0.000000 0.750000 Ge\n0.000000 0.000000 0.250000 Ge\n0.090689 0.366261 0.500000 Sb\n0.366261 0.909311 0.000000 Sb\n0.409311 0.866261 0.500000 Sb\n0.866261 0.590689 0.000000 Sb\n0.909311 0.633739 0.500000 Sb\n0.633739 0.090689 0.000000 Sb\n0.590689 0.133739 0.500000 Sb\n0.133739 0.409311 0.000000 Sb\n0.155602 0.038578 0.500000 Sb\n0.038578 0.844398 0.000000 Sb\n0.344398 0.538578 0.500000 Sb\n0.538578 0.655602 0.000000 Sb\n0.844398 0.961422 0.500000 Sb\n0.961422 0.155602 0.000000 Sb\n0.655602 0.461422 0.500000 Sb\n0.461422 0.344398 0.000000 Sb\n0.256059 0.227883 0.500000 S\n0.227883 0.743941 0.000000 S\n0.243941 0.727883 0.500000 S\n0.727883 0.756059 0.000000 S\n0.743941 0.772117 0.500000 S\n0.772117 0.256059 0.000000 S\n0.756059 0.272117 0.500000 S\n0.272117 0.243941 0.000000 S\n0.349913 0.476276 0.849006 S\n0.476276 0.650087 0.349006 S\n0.150087 0.976276 0.849006 S\n0.976276 0.849913 0.349006 S\n0.349913 0.476276 0.150994 S\n0.476276 0.650087 0.650994 S\n0.150087 0.976276 0.150994 S\n0.976276 0.849913 0.650994 S\n0.650087 0.523724 0.150994 S\n0.523724 0.349913 0.650994 S\n0.849913 0.023724 0.150994 S\n0.023724 0.150087 0.650994 S\n0.650087 0.523724 0.849006 S\n0.523724 0.349913 0.349006 S\n0.849913 0.023724 0.849006 S\n0.023724 0.150087 0.349006 S\n0.183293 0.476799 0.630937 S\n0.476799 0.816707 0.130937 S\n0.316707 0.976799 0.630937 S\n0.976799 0.683293 0.130937 S\n0.183293 0.476799 0.369063 S\n0.476799 0.816707 0.869063 S\n0.316707 0.976799 0.369063 S\n0.976799 0.683293 0.869063 S\n0.816707 0.523201 0.369063 S\n0.523201 0.183293 0.869063 S\n0.683293 0.023201 0.369063 S\n0.023201 0.316707 0.869063 S\n0.816707 0.523201 0.630937 S\n0.523201 0.183293 0.130937 S\n0.683293 0.023201 0.630937 S\n0.023201 0.316707 0.130937 S\n",
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"formula_full": "Ba8 Ge4 Sb16 S40",
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{
"id": "mp-1228229",
"created_at": "2022-09-04T14:46:53.180776Z",
"structure_string": "Ba8 Si2 Ge2 S16\n1.0\n6.860250 0.000000 0.000000\n0.000000 9.063672 0.000000\n0.000000 0.000000 12.465452\nBa Si Ge S\n8 2 2 16\ndirect\n0.500000 0.372457 0.327528 Ba\n0.500000 0.872457 0.672472 Ba\n0.000000 0.628944 0.166900 Ba\n0.000000 0.128944 0.833100 Ba\n0.500000 0.019448 0.080513 Ba\n0.500000 0.519448 0.919487 Ba\n0.000000 0.981035 0.418115 Ba\n0.000000 0.481035 0.581885 Ba\n0.000000 0.731261 0.824560 Si\n0.000000 0.231261 0.175440 Si\n0.500000 0.270146 0.674163 Ge\n0.500000 0.770146 0.325837 Ge\n0.254422 0.324115 0.105989 S\n0.745578 0.824115 0.894011 S\n0.765818 0.670952 0.393874 S\n0.234182 0.170952 0.606126 S\n0.234182 0.670952 0.393874 S\n0.765818 0.170952 0.606126 S\n0.745578 0.324115 0.105989 S\n0.254422 0.824115 0.894011 S\n0.500000 0.190262 0.844279 S\n0.500000 0.690262 0.155721 S\n0.000000 0.806022 0.661748 S\n0.000000 0.306022 0.338252 S\n0.500000 0.012950 0.347710 S\n0.500000 0.512950 0.652290 S\n0.000000 0.997339 0.154529 S\n0.000000 0.497339 0.845471 S\n",
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{
"id": "mp-17885",
"created_at": "2022-09-04T14:48:03.337658Z",
"structure_string": "Ba8 Ge8 Te20\n1.0\n9.364862 0.000000 0.000000\n0.000000 10.100318 0.000000\n0.000000 0.000000 13.619469\nBa Ge Te\n8 8 20\ndirect\n0.603423 0.919533 0.334292 Ba\n0.396577 0.419533 0.665708 Ba\n0.896577 0.919533 0.834292 Ba\n0.103423 0.419533 0.165708 Ba\n0.560121 0.436589 0.318098 Ba\n0.439879 0.936589 0.681902 Ba\n0.939879 0.436589 0.818098 Ba\n0.060121 0.936589 0.181902 Ba\n0.178445 0.730069 0.522328 Ge\n0.821555 0.230069 0.477672 Ge\n0.321555 0.730069 0.022328 Ge\n0.678445 0.230069 0.977672 Ge\n0.024423 0.563247 0.435054 Ge\n0.975577 0.063247 0.564946 Ge\n0.475577 0.563247 0.935054 Ge\n0.524423 0.063247 0.064946 Ge\n0.201229 0.364315 0.417001 Te\n0.798771 0.864315 0.582999 Te\n0.298771 0.364315 0.917001 Te\n0.701229 0.864315 0.082999 Te\n0.177886 0.973369 0.446482 Te\n0.822114 0.473369 0.553518 Te\n0.322114 0.973369 0.946482 Te\n0.677886 0.473369 0.053518 Te\n0.875955 0.656759 0.286583 Te\n0.124045 0.156759 0.713417 Te\n0.624045 0.656759 0.786583 Te\n0.375955 0.156759 0.213417 Te\n0.157619 0.701739 0.714815 Te\n0.842381 0.201739 0.285185 Te\n0.342381 0.701739 0.214815 Te\n0.657619 0.201739 0.785185 Te\n0.453476 0.681880 0.495394 Te\n0.546524 0.181880 0.504606 Te\n0.046524 0.681880 0.995394 Te\n0.953476 0.181880 0.004606 Te\n",
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{
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{
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{
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{
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}