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{
"count": 55712,
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{
"id": "jvasp-20944",
"created_at": "2022-09-04T14:38:29.932255Z",
"updated_at": "2022-09-04T14:38:29.932279Z",
"structure_string": "K28 Li4 Si32\n1.0\n12.454053 0.000000 -0.000000\n0.000000 12.454053 0.000000\n-0.000000 0.000000 12.454053\nK Li Si\n28 4 32\ndirect\n0.274068 0.811023 0.043875 K\n0.688976 0.956125 0.774068 K\n0.774068 0.688976 0.956125 K\n0.956125 0.774068 0.688976 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.188977 0.956125 0.725932 K\n0.688976 0.543875 0.274068 K\n0.811023 0.456125 0.774068 K\n0.543875 0.274068 0.688976 K\n0.774068 0.811023 0.456125 K\n0.725932 0.188977 0.956125 K\n0.274068 0.688976 0.543875 K\n0.543875 0.225932 0.188977 K\n0.456125 0.774068 0.811023 K\n0.043875 0.225932 0.311023 K\n0.225932 0.311023 0.043875 K\n0.311023 0.043875 0.225932 K\n0.811023 0.043875 0.274068 K\n0.311023 0.456125 0.725932 K\n0.188977 0.543875 0.225932 K\n0.456125 0.725932 0.311023 K\n0.225932 0.188977 0.543875 K\n0.725932 0.311023 0.456125 K\n0.043875 0.274068 0.811023 K\n0.956125 0.725932 0.188977 K\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.051864 0.700074 0.932802 Si\n0.303178 0.196822 0.803178 Si\n0.196822 0.803178 0.303178 Si\n0.803178 0.303178 0.196822 Si\n0.696822 0.696822 0.696822 Si\n0.696822 0.803178 0.196822 Si\n0.700074 0.567198 0.551864 Si\n0.196822 0.696822 0.803178 Si\n0.303178 0.303178 0.303178 Si\n0.432802 0.051864 0.799926 Si\n0.932802 0.448136 0.200074 Si\n0.567198 0.551864 0.700074 Si\n0.448136 0.200074 0.932802 Si\n0.700074 0.932802 0.051864 Si\n0.803178 0.196822 0.696822 Si\n0.200074 0.932802 0.448136 Si\n0.799926 0.432802 0.051864 Si\n0.551864 0.700074 0.567198 Si\n0.948136 0.299926 0.067198 Si\n0.299926 0.067198 0.948136 Si\n0.067198 0.948136 0.299926 Si\n0.567198 0.948136 0.200074 Si\n0.067198 0.551864 0.799926 Si\n0.432802 0.448136 0.299926 Si\n0.551864 0.799926 0.067198 Si\n0.299926 0.432802 0.448136 Si\n0.799926 0.067198 0.551864 Si\n0.948136 0.200074 0.567198 Si\n0.200074 0.567198 0.948136 Si\n0.051864 0.799926 0.432802 Si\n0.448136 0.299926 0.432802 Si\n0.932802 0.051864 0.700074 Si\n",
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"volume": 1931.6664140053942,
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},
{
"id": "jvasp-24242",
"created_at": "2022-09-04T14:37:54.798642Z",
"updated_at": "2022-09-04T14:37:54.798668Z",
"structure_string": "Er8 Ge8 Bi8 O40\n1.0\n5.352384 0.000000 0.000000\n0.000000 11.030700 0.000000\n0.000000 0.000000 15.357065\nEr Ge Bi O\n8 8 8 40\ndirect\n0.012171 0.858611 0.554098 Er\n0.512171 0.141389 0.945901 Er\n0.487828 0.358611 0.445901 Er\n0.487828 0.858611 0.054098 Er\n0.987828 0.141389 0.445901 Er\n0.512171 0.641389 0.554098 Er\n0.012171 0.358611 0.945901 Er\n0.987828 0.641389 0.054098 Er\n0.505390 0.097610 0.595230 Ge\n0.494609 0.402390 0.095231 Ge\n0.005390 0.902390 0.904769 Ge\n0.994609 0.097610 0.095231 Ge\n0.994609 0.597610 0.404769 Ge\n0.505390 0.597610 0.904769 Ge\n0.005390 0.402390 0.595230 Ge\n0.494609 0.902390 0.404769 Ge\n0.962671 0.644981 0.738198 Bi\n0.037328 0.855019 0.238198 Bi\n0.962671 0.144981 0.761802 Bi\n0.462671 0.355019 0.761802 Bi\n0.537328 0.144981 0.261802 Bi\n0.037328 0.355019 0.261802 Bi\n0.537328 0.644981 0.238198 Bi\n0.462671 0.855019 0.738198 Bi\n0.696058 0.024929 0.373860 O\n0.350598 0.193169 0.520579 O\n0.253034 0.734546 0.650455 O\n0.064034 0.330927 0.698658 O\n0.301813 0.959319 0.938924 O\n0.649401 0.306831 0.020580 O\n0.149401 0.193169 0.020580 O\n0.564034 0.669073 0.801342 O\n0.698187 0.540681 0.438925 O\n0.303941 0.975071 0.626140 O\n0.301813 0.459319 0.561075 O\n0.196059 0.475071 0.373860 O\n0.564034 0.169073 0.698658 O\n0.803941 0.524929 0.626140 O\n0.350598 0.693169 0.979420 O\n0.149401 0.693169 0.479420 O\n0.753034 0.265454 0.849545 O\n0.303941 0.475071 0.873860 O\n0.649401 0.806831 0.479420 O\n0.935965 0.169073 0.198658 O\n0.753034 0.765454 0.650455 O\n0.196059 0.975071 0.126140 O\n0.253034 0.234546 0.849545 O\n0.696058 0.524929 0.126140 O\n0.746965 0.765454 0.150455 O\n0.198187 0.959319 0.438925 O\n0.935965 0.669073 0.301342 O\n0.801812 0.040681 0.561075 O\n0.435966 0.830927 0.301342 O\n0.198187 0.459319 0.061075 O\n0.746965 0.265454 0.349545 O\n0.801812 0.540681 0.938924 O\n0.064034 0.830927 0.801342 O\n0.246966 0.234546 0.349545 O\n0.850598 0.306831 0.520579 O\n0.850598 0.806831 0.979420 O\n0.435966 0.330927 0.198658 O\n0.803941 0.024929 0.873860 O\n0.698187 0.040681 0.061075 O\n0.246966 0.734546 0.150455 O\n",
"nsites": 64,
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"elements": [
"Er",
"Ge",
"Bi",
"O"
],
"chemical_system": "Bi-Er-Ge-O",
"density": 7.7488046597355,
"density_atomic": 0.07058646201463677,
"volume": 906.6894440286438,
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"formula_full": "Er8 Ge8 Bi8 O40",
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"formula_anonymous": "ABCD5",
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},
{
"id": "jvasp-98457",
"created_at": "2022-09-04T14:36:04.817514Z",
"updated_at": "2022-09-04T14:36:04.817541Z",
"structure_string": "Sm16 Si8 Se12 O28\n1.0\n10.126763 -0.011855 -4.582749\n-5.909419 9.210297 -1.949936\n-0.007606 0.011855 11.115433\nSm Si Se O\n16 8 12 28\ndirect\n0.010750 0.344063 0.333313 Sm\n0.989249 0.333313 0.822562 Sm\n0.095135 0.047568 0.297568 Sm\n0.250000 0.297568 0.702432 Sm\n0.250000 0.952433 0.047567 Sm\n0.904864 0.952433 0.702431 Sm\n0.750000 0.702432 0.297567 Sm\n0.749999 0.047568 0.952432 Sm\n0.404864 0.702433 0.952432 Sm\n0.010750 0.666688 0.177437 Sm\n0.489249 0.666688 0.655936 Sm\n0.489249 0.822563 0.333312 Sm\n0.989249 0.655937 0.666687 Sm\n0.510750 0.177438 0.666687 Sm\n0.510750 0.333313 0.344063 Sm\n0.595135 0.297567 0.047567 Sm\n0.125635 0.906887 0.532520 Si\n0.374365 0.467479 0.093114 Si\n0.625634 0.093114 0.218748 Si\n0.874365 0.093114 0.467479 Si\n0.874365 0.781252 0.906885 Si\n0.125635 0.218749 0.093114 Si\n0.374365 0.906887 0.781251 Si\n0.625634 0.532521 0.906885 Si\n0.645357 0.000000 0.645357 Se\n0.354642 0.354642 0.500000 Se\n0.145358 0.645358 -0.000000 Se\n0.145358 0.500000 0.645357 Se\n0.645357 0.645358 0.499999 Se\n0.854642 0.354642 -0.000000 Se\n0.854642 0.500000 0.354642 Se\n0.250000 0.625000 0.375000 Se\n0.750000 0.375000 0.624999 Se\n0.750000 0.875000 0.124999 Se\n0.354642 0.000000 0.354642 Se\n0.250000 0.125000 0.875000 Se\n0.978792 0.169095 0.647888 O\n0.521207 0.169095 0.190302 O\n0.521207 0.352112 0.830904 O\n0.978792 0.809697 0.830904 O\n0.478793 0.647888 0.169095 O\n0.478793 0.830905 0.809697 O\n0.021207 0.830905 0.352111 O\n0.770766 0.920230 0.431040 O\n0.250000 0.858063 0.608062 O\n0.750000 0.608063 0.858062 O\n0.750000 0.141937 0.391937 O\n0.021207 0.190303 0.169095 O\n0.729233 0.160274 0.149463 O\n0.489188 0.568959 0.839725 O\n0.010811 0.850537 0.079770 O\n0.989188 0.149463 0.920229 O\n0.510811 0.431041 0.160274 O\n0.510811 0.079770 0.850536 O\n0.989188 0.839726 0.568958 O\n0.770766 0.850537 0.839725 O\n0.229233 0.079770 0.568959 O\n0.270767 0.839726 0.850536 O\n0.270767 0.431042 0.920229 O\n0.229233 0.149463 0.160274 O\n0.010811 0.160275 0.431041 O\n0.489188 0.920230 0.149463 O\n0.729233 0.568959 0.079770 O\n0.250000 0.391938 0.141937 O\n",
"nsites": 64,
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"elements": [
"Sm",
"Si",
"Se",
"O"
],
"chemical_system": "O-Se-Si-Sm",
"density": 6.451709037865443,
"density_atomic": 0.06176430726287385,
"volume": 1036.1971636403346,
"volume_molar": 9.750195585241952,
"formula_full": "Sm16 Si8 Se12 O28",
"formula_reduced": "Sm4Si2Se3O7",
"formula_anonymous": "A2B3C4D7",
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"spacegroup": 141
},
{
"id": "jvasp-25643",
"created_at": "2022-09-04T14:38:16.528382Z",
"updated_at": "2022-09-04T14:38:16.528418Z",
"structure_string": "K8 Be8 Si12 O36\n1.0\n0.000000 10.262141 0.030137\n6.953847 0.000000 0.000000\n0.000000 -3.539018 -11.686616\nK Be Si O\n8 8 12 36\ndirect\n0.539970 0.372238 0.856770 K\n0.062051 0.109567 0.646782 K\n0.460029 0.872238 0.643230 K\n0.460030 0.627762 0.143230 K\n0.539970 0.127762 0.356770 K\n0.062051 0.390433 0.146782 K\n0.937948 0.890433 0.353218 K\n0.937948 0.609567 0.853218 K\n0.568470 0.908585 0.956321 Be\n0.431530 0.408585 0.543679 Be\n0.062341 0.426949 0.441626 Be\n0.568470 0.591416 0.456321 Be\n0.937659 0.573051 0.558374 Be\n0.937659 0.926949 0.058374 Be\n0.062341 0.073051 0.941626 Be\n0.431530 0.091416 0.043679 Be\n0.243748 0.531621 0.681798 Si\n0.756251 0.468379 0.318202 Si\n0.255300 0.679011 0.372381 Si\n0.756251 0.031621 0.818203 Si\n0.255300 0.820990 0.872381 Si\n0.238244 0.386407 0.920686 Si\n0.243749 0.968379 0.181797 Si\n0.761756 0.613594 0.079314 Si\n0.238244 0.113594 0.420686 Si\n0.761756 0.886407 0.579314 Si\n0.744700 0.320990 0.627619 Si\n0.744700 0.179011 0.127619 Si\n0.100449 0.201560 0.439922 O\n0.239141 0.623603 0.944865 O\n0.600756 0.429509 0.566328 O\n0.899551 0.798440 0.560078 O\n0.877376 0.048056 0.142948 O\n0.399243 0.929509 0.933672 O\n0.600756 0.070492 0.066328 O\n0.380202 0.493997 0.645727 O\n0.257947 0.752264 0.243081 O\n0.760859 0.376398 0.055136 O\n0.102995 0.518949 0.576969 O\n0.742053 0.247736 0.756919 O\n0.897004 0.018949 0.923031 O\n0.100449 0.298440 0.939922 O\n0.122624 0.951944 0.857052 O\n0.399243 0.570492 0.433672 O\n0.760859 0.123603 0.555136 O\n0.379949 0.303342 0.002910 O\n0.380202 0.006003 0.145727 O\n0.620050 0.803342 0.497090 O\n0.379949 0.196658 0.502910 O\n0.763028 0.873769 0.716923 O\n0.899551 0.701560 0.060078 O\n0.877375 0.451944 0.642948 O\n0.236971 0.373769 0.783077 O\n0.620050 0.696659 0.997090 O\n0.236971 0.126231 0.283077 O\n0.102995 0.981052 0.076969 O\n0.122624 0.548056 0.357052 O\n0.239141 0.876398 0.444864 O\n0.257947 0.747737 0.743081 O\n0.619798 0.506003 0.354273 O\n0.897004 0.481052 0.423031 O\n0.742053 0.252264 0.256919 O\n0.619798 0.993997 0.854273 O\n0.763028 0.626231 0.216923 O\n",
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{
"id": "jvasp-59483",
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"updated_at": "2022-09-04T14:37:37.404109Z",
"structure_string": "Al16 F48\n1.0\n10.303533 0.000000 -0.000000\n-0.000000 10.303533 -0.000000\n0.000000 -0.000000 7.256549\nAl F\n16 48\ndirect\n0.000000 0.836227 0.671783 Al\n0.250000 0.750000 0.000000 Al\n0.250000 0.250000 0.000000 Al\n0.750000 0.750000 0.000000 Al\n0.500000 0.000000 0.909041 Al\n0.000000 0.500000 0.090959 Al\n0.500000 0.000000 0.412881 Al\n0.000000 0.500000 0.587119 Al\n0.750000 0.250000 0.000000 Al\n0.500000 0.336227 0.328217 Al\n0.500000 0.663772 0.328217 Al\n0.836227 0.000000 0.328217 Al\n0.336227 0.500000 0.671783 Al\n0.663772 0.500000 0.671783 Al\n0.000000 0.163773 0.671783 Al\n0.163773 0.000000 0.328217 Al\n0.301448 0.627472 0.837206 F\n0.127472 0.801448 0.837206 F\n0.872528 0.198552 0.837206 F\n0.698552 0.627472 0.837206 F\n0.627472 0.698552 0.162794 F\n0.801448 0.127472 0.162794 F\n0.372528 0.301448 0.162794 F\n0.127472 0.198552 0.837206 F\n0.301448 0.372528 0.837206 F\n0.872528 0.801448 0.837206 F\n0.500000 0.000000 0.662215 F\n0.198552 0.127472 0.162794 F\n0.801448 0.872528 0.162794 F\n0.627472 0.301448 0.162794 F\n0.372528 0.698552 0.162794 F\n0.500000 0.000000 0.158778 F\n0.000000 0.500000 0.841222 F\n0.198552 0.872528 0.162794 F\n0.000000 0.500000 0.337785 F\n0.326435 0.000000 0.411487 F\n0.500000 0.173565 0.411487 F\n0.698552 0.372528 0.837206 F\n0.128845 0.628845 0.091345 F\n0.673565 0.000000 0.411487 F\n0.871155 0.628845 0.091345 F\n0.000000 0.000000 0.755732 F\n0.500000 0.500000 0.755732 F\n0.500000 0.500000 0.244268 F\n0.000000 0.000000 0.244268 F\n0.623504 0.376495 0.500000 F\n0.876495 0.876495 0.500000 F\n0.123505 0.123505 0.500000 F\n0.376495 0.623504 0.500000 F\n0.876495 0.123505 0.500000 F\n0.623504 0.623504 0.500000 F\n0.376495 0.376495 0.500000 F\n0.123505 0.876495 0.500000 F\n0.000000 0.673565 0.588513 F\n0.000000 0.326435 0.588513 F\n0.826434 0.500000 0.588513 F\n0.500000 0.826434 0.411487 F\n0.173565 0.500000 0.588513 F\n0.371155 0.128845 0.908655 F\n0.628845 0.871155 0.908655 F\n0.628845 0.128845 0.908655 F\n0.128845 0.371155 0.091345 F\n0.871155 0.371155 0.091345 F\n0.371155 0.871155 0.908655 F\n",
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"volume": 770.3755041718006,
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{
"id": "jvasp-97974",
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