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{
"id": "jvasp-2931",
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"structure_string": "Al2 Te5\n1.0\n4.074493 0.000000 1.069536\n1.839201 6.819316 1.289237\n-0.009891 0.006121 8.333524\nAl Te\n2 5\ndirect\n0.374323 0.849305 0.402049 Al\n0.625676 0.150695 0.597952 Al\n0.591193 0.694692 0.122922 Te\n0.408807 0.305308 0.877079 Te\n0.000000 0.000000 0.000000 Te\n0.181889 0.244036 0.392185 Te\n0.818110 0.755965 0.607815 Te\n",
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{
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"structure_string": "Al16 Te24\n1.0\n0.000000 7.266691 -0.020945\n12.947807 0.000000 0.000000\n0.000000 0.024808 -14.375663\nAl Te\n16 24\ndirect\n0.418392 0.249668 0.686538 Al\n0.569076 0.431784 0.317572 Al\n0.430925 0.931784 0.182428 Al\n0.569076 0.068216 0.817572 Al\n0.920232 0.092273 0.193848 Al\n0.079768 0.592273 0.306152 Al\n0.079768 0.907727 0.806152 Al\n0.920232 0.407727 0.693848 Al\n0.430925 0.568216 0.682428 Al\n0.069199 0.908778 0.325975 Al\n0.069199 0.591222 0.825975 Al\n0.930801 0.091222 0.674025 Al\n0.418392 0.250332 0.186538 Al\n0.581608 0.750332 0.313462 Al\n0.581608 0.749668 0.813462 Al\n0.930801 0.408778 0.174025 Al\n0.088409 0.918807 0.626917 Te\n0.088409 0.581193 0.126917 Te\n0.911591 0.081193 0.373084 Te\n0.595156 0.405805 0.602545 Te\n0.573567 0.072067 0.629071 Te\n0.404844 0.594195 0.397455 Te\n0.595156 0.094195 0.102545 Te\n0.426434 0.572067 0.870929 Te\n0.911591 0.418807 0.873083 Te\n0.404844 0.905805 0.897455 Te\n0.926270 0.413822 0.362261 Te\n0.090654 0.242957 0.098725 Te\n0.073730 0.586178 0.637740 Te\n0.926270 0.086178 0.862260 Te\n0.416634 0.258372 0.365548 Te\n0.583366 0.758372 0.134452 Te\n0.583367 0.741629 0.634452 Te\n0.416634 0.241628 0.865548 Te\n0.426433 0.927933 0.370929 Te\n0.909346 0.742957 0.401275 Te\n0.909346 0.757043 0.901275 Te\n0.090655 0.257043 0.598725 Te\n0.073730 0.913822 0.137740 Te\n0.573567 0.427933 0.129071 Te\n",
"nsites": 40,
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},
{
"id": "jvasp-106137",
"created_at": "2022-09-04T14:35:59.826090Z",
"updated_at": "2022-09-04T14:35:59.826108Z",
"structure_string": "Al4 Te6\n1.0\n6.595401 -0.031823 3.268138\n2.540539 6.086541 3.268138\n-0.038154 -0.025286 8.063951\nAl Te\n4 6\ndirect\n0.177205 0.987160 0.496954 Al\n0.808733 0.676904 0.504297 Al\n0.987161 0.177205 0.996953 Al\n0.676904 0.808733 0.004297 Al\n0.301405 0.140263 0.111317 Te\n0.987292 0.773748 0.118257 Te\n0.615821 0.448065 0.144128 Te\n0.140264 0.301405 0.611317 Te\n0.773748 0.987292 0.618257 Te\n0.448065 0.615821 0.644128 Te\n",
"nsites": 10,
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"elements": [
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"density": 4.456808275991182,
"density_atomic": 0.030725498775777692,
"volume": 325.4625766362971,
"volume_molar": 19.599814486160685,
"formula_full": "Al4 Te6",
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"formula_anonymous": "A2B3",
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"spacegroup": 9
},
{
"id": "jvasp-77305",
"created_at": "2022-09-04T14:37:51.814873Z",
"updated_at": "2022-09-04T14:37:51.814882Z",
"structure_string": "Al2 Tc1 Pd1\n1.0\n-8.657696 -0.000000 -4.998523\n-5.586817 -1.235467 -0.320395\n-4.165767 2.783872 -2.781727\nAl Tc Pd\n2 1 1\ndirect\n0.743702 0.000001 0.000001 Al\n0.256297 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Tc\n0.499999 0.000001 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.5016866111582425,
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},
{
"id": "jvasp-101388",
"created_at": "2022-09-04T14:36:39.941111Z",
"updated_at": "2022-09-04T14:36:39.941131Z",
"structure_string": "Al2 Tc1 Pd1\n1.0\n3.731747 0.000000 2.154525\n1.243916 3.518324 2.154525\n0.000000 0.000000 4.309049\nAl Tc Pd\n2 1 1\ndirect\n0.750002 0.749999 0.750001 Al\n0.250001 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Tc\n0.500001 0.499999 0.500001 Pd\n",
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],
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"density_atomic": 0.07070181055166655,
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{
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"created_at": "2022-09-04T14:37:14.797417Z",
"updated_at": "2022-09-04T14:37:14.797445Z",
"structure_string": "Al2 Tc1 Ir1\n1.0\n-7.886525 -3.675496 -6.014766\n-5.280406 -3.045001 -0.740604\n-3.080503 0.926156 -2.993638\nAl Tc Ir\n2 1 1\ndirect\n0.753401 0.990206 0.996190 Al\n0.246598 0.009795 0.003812 Al\n0.000000 0.000000 0.000000 Tc\n0.500001 -0.000000 -0.000000 Ir\n",
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],
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"volume": 58.24973412636085,
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"formula_full": "Al2 Tc1 Ir1",
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{
"id": "jvasp-81752",
"created_at": "2022-09-04T14:37:06.724683Z",
"updated_at": "2022-09-04T14:37:06.724717Z",
"structure_string": "Al2 Tc1 Au1\n1.0\n-10.517770 1.996494 -2.812175\n-3.075649 0.678158 -3.362285\n-3.853336 -1.521469 -2.015294\nAl Tc Au\n2 1 1\ndirect\n0.762944 -0.014223 -0.014220 Al\n0.237056 0.014220 0.014221 Al\n0.000000 0.000000 0.000000 Tc\n0.500000 -0.000001 0.000001 Au\n",
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{
"id": "jvasp-20997",
"created_at": "2022-09-04T14:37:36.723066Z",
"updated_at": "2022-09-04T14:37:36.723086Z",
"structure_string": "Al4 S6 O24\n1.0\n7.112119 0.000807 4.730684\n2.535384 6.644852 4.730684\n0.001172 0.000807 8.541756\nAl S O\n4 6 24\ndirect\n0.142958 0.142959 0.142958 Al\n0.857041 0.857042 0.857041 Al\n0.352181 0.352182 0.352182 Al\n0.647818 0.647819 0.647818 Al\n0.751519 0.036406 0.460439 S\n0.539560 0.248480 0.963595 S\n0.248479 0.963595 0.539561 S\n0.460439 0.751519 0.036405 S\n0.963594 0.539561 0.248479 S\n0.036405 0.460439 0.751519 S\n0.156668 0.520176 0.227407 O\n0.885480 0.737643 0.107209 O\n0.737642 0.107210 0.885480 O\n0.772592 0.843332 0.479824 O\n0.843331 0.479825 0.772593 O\n0.479824 0.772593 0.843332 O\n0.227407 0.156669 0.520176 O\n0.544934 0.182916 0.478976 O\n0.006799 0.619195 0.797447 O\n0.619195 0.797446 0.006799 O\n0.202553 0.993201 0.380805 O\n0.993201 0.380805 0.202553 O\n0.380804 0.202554 0.993201 O\n0.107209 0.885480 0.737643 O\n0.262357 0.892790 0.114520 O\n0.114520 0.262358 0.892791 O\n0.892790 0.114520 0.262357 O\n0.521023 0.455066 0.817084 O\n0.817084 0.521024 0.455065 O\n0.455065 0.817084 0.521024 O\n0.478976 0.544935 0.182916 O\n0.182916 0.478976 0.544935 O\n0.797446 0.006800 0.619195 O\n0.520176 0.227407 0.156668 O\n",
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{
"id": "jvasp-113687",
"created_at": "2022-09-04T14:38:46.811070Z",
"updated_at": "2022-09-04T14:38:46.811094Z",
"structure_string": "Al2 S1 O2\n1.0\n3.094106 0.000000 0.000000\n-1.547053 2.679575 0.000000\n-0.000000 -0.000000 6.946680\nAl S O\n2 1 2\ndirect\n0.666669 0.333333 0.251778 Al\n0.333335 0.666666 0.748222 Al\n0.000000 0.000000 0.000000 S\n0.333335 0.666666 0.337958 O\n0.666669 0.333333 0.662042 O\n",
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},
{
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"created_at": "2022-09-04T14:38:33.769861Z",
"updated_at": "2022-09-04T14:38:33.769889Z",
"structure_string": "Al4 Sn4 O14\n1.0\n6.068935 -0.000000 3.503901\n2.022979 5.721847 3.503901\n-0.000000 -0.000000 7.007803\nAl Sn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000001 Al\n0.500000 0.500000 0.499999 Al\n0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 -0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.642913 0.107087 0.107087 O\n0.107087 0.107087 0.642913 O\n0.642913 0.642913 0.107086 O\n0.892914 0.357087 0.357086 O\n0.357087 0.892913 0.357086 O\n0.357087 0.357087 0.892912 O\n0.357087 0.892913 0.892912 O\n0.892914 0.357087 0.892912 O\n0.107087 0.642913 0.642912 O\n0.642913 0.107087 0.642912 O\n0.375000 0.375000 0.374999 O\n0.625000 0.625000 0.624999 O\n0.892914 0.892913 0.357086 O\n0.107087 0.642913 0.107087 O\n",
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{
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{
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"formula_full": "Al4 Si2 O10",
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}
]
}