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{
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"results": [
{
"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",
"nsites": 34,
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"S",
"O"
],
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{
"id": "jvasp-81752",
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"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",
"nsites": 4,
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"elements": [
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"Tc",
"Au"
],
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"density_atomic": 0.06539931054762964,
"volume": 61.162724293352326,
"volume_molar": 9.208263373990981,
"formula_full": "Al2 Tc1 Au1",
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"spacegroup": 12
},
{
"id": "jvasp-80616",
"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",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Ir-Tc",
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"volume": 58.24973412636085,
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"formula_full": "Al2 Tc1 Ir1",
"formula_reduced": "Al2TcIr",
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"spacegroup": 12
},
{
"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",
"nsites": 4,
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"elements": [
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],
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},
{
"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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},
{
"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_atomic": 0.030725498775777692,
"volume": 325.4625766362971,
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"formula_full": "Al4 Te6",
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"spacegroup": 9
},
{
"id": "jvasp-5677",
"created_at": "2022-09-04T14:36:45.389458Z",
"updated_at": "2022-09-04T14:36:45.389467Z",
"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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"elements": [
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],
"chemical_system": "Al-Te",
"density": 4.289694540130683,
"density_atomic": 0.029573406837190664,
"volume": 1352.5665210034967,
"volume_molar": 20.363364941866386,
"formula_full": "Al16 Te24",
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{
"id": "jvasp-2931",
"created_at": "2022-09-04T14:36:40.361004Z",
"updated_at": "2022-09-04T14:36:40.361033Z",
"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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},
{
"id": "jvasp-32751",
"created_at": "2022-09-04T14:37:16.790967Z",
"updated_at": "2022-09-04T14:37:16.790985Z",
"structure_string": "Al4 V2 Cl16\n1.0\n6.856994 0.000000 3.009971\n3.121018 8.420237 2.205451\n-0.079674 -0.081759 9.496923\nAl V Cl\n4 2 16\ndirect\n0.164960 0.644780 0.535508 Al\n0.345248 0.855221 0.964491 Al\n0.835040 0.355221 0.464492 Al\n0.654753 0.144779 0.035508 Al\n-0.009684 0.750000 0.250000 V\n0.009685 0.250000 0.750000 V\n0.163553 0.455171 0.721353 Cl\n0.852599 0.789890 0.529138 Cl\n0.702232 0.452831 0.688890 Cl\n0.659922 0.955171 0.221353 Cl\n0.147401 0.210110 0.470862 Cl\n0.340078 0.044829 0.778646 Cl\n0.843954 0.047169 0.811109 Cl\n0.828373 0.289890 0.029138 Cl\n0.297769 0.547170 0.311109 Cl\n0.655842 0.721853 0.948641 Cl\n0.156046 0.952831 0.188890 Cl\n0.171627 0.710110 0.970861 Cl\n0.673663 0.221853 0.448642 Cl\n0.326337 0.778147 0.551357 Cl\n0.344158 0.278147 0.051358 Cl\n0.836448 0.544830 0.278646 Cl\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.342584116117892,
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"volume": 550.816405261279,
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"spacegroup": 15
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{
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"created_at": "2022-09-04T14:38:32.918638Z",
"updated_at": "2022-09-04T14:38:32.918654Z",
"structure_string": "Al6 W3\n1.0\n2.438891 -4.224284 -0.000000\n2.438891 4.224284 -0.000000\n-0.000000 0.000000 6.805218\nAl W\n6 3\ndirect\n0.168970 0.831029 0.666667 Al\n0.831030 0.662061 0.000000 Al\n0.337939 0.168970 0.333333 Al\n0.831029 0.168970 0.666667 Al\n0.168970 0.337939 0.000000 Al\n0.662061 0.831030 0.333333 Al\n0.000000 0.500000 0.333333 W\n0.500000 0.000000 0.000000 W\n0.500000 0.500000 0.666667 W\n",
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},
{
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"created_at": "2022-09-04T14:38:18.754143Z",
"updated_at": "2022-09-04T14:38:18.754174Z",
"structure_string": "Al4 Zn2 O8\n1.0\n4.995830 0.000000 2.884344\n1.665276 4.710114 2.884344\n-0.000000 0.000000 5.768687\nAl Zn O\n4 2 8\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 0.500000 Al\n0.875001 0.874999 0.874999 Zn\n0.125000 0.125000 0.125000 Zn\n0.735634 0.735632 0.735632 O\n0.264367 0.264367 0.706898 O\n0.264368 0.706897 0.264366 O\n0.706898 0.264367 0.264367 O\n0.735633 0.293102 0.735633 O\n0.293103 0.735632 0.735633 O\n0.264367 0.264367 0.264367 O\n0.735634 0.735632 0.293101 O\n",
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],
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"volume": 135.74256320851066,
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"formula_full": "Al4 Zn2 O8",
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"spacegroup": 227
},
{
"id": "jvasp-9688",
"created_at": "2022-09-04T14:38:12.689258Z",
"updated_at": "2022-09-04T14:38:12.689279Z",
"structure_string": "Al4 Zn2 S8\n1.0\n6.169262 -0.000000 3.561825\n2.056421 5.816436 3.561825\n-0.000000 -0.000000 7.123650\nAl Zn S\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Al\n-0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500001 Al\n0.500000 0.500000 0.000001 Al\n0.125000 0.125000 0.125000 Zn\n0.874999 0.875001 0.875001 Zn\n0.259548 0.259548 0.721355 S\n0.740452 0.740453 0.740453 S\n0.259548 0.259548 0.259548 S\n0.740452 0.740453 0.278646 S\n0.278645 0.740453 0.740453 S\n0.740452 0.278645 0.740453 S\n0.721355 0.259548 0.259549 S\n0.259548 0.721356 0.259549 S\n",
"nsites": 14,
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"elements": [
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],
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"volume": 255.6187706216562,
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"formula_full": "Al4 Zn2 S8",
"formula_reduced": "Al2ZnS4",
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"spacegroup": 227
}
]
}