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{
"id": "jvasp-59033",
"created_at": "2022-09-04T14:38:01.588777Z",
"updated_at": "2022-09-04T14:38:01.588806Z",
"structure_string": "K8 Te4 S12\n1.0\n0.000000 6.325918 0.034471\n8.963633 0.000000 0.000000\n0.000000 -6.240498 -13.207364\nK Te S\n8 4 12\ndirect\n0.662327 0.370089 0.415852 K\n0.337673 0.870089 0.084148 K\n0.337673 0.629911 0.584148 K\n0.662327 0.129911 0.915852 K\n0.003249 0.391858 0.746081 K\n0.996751 0.891857 0.753919 K\n0.996751 0.608142 0.253919 K\n0.003249 0.108142 0.246081 K\n0.283286 0.172824 0.579410 Te\n0.716713 0.672824 0.920590 Te\n0.716714 0.827176 0.420590 Te\n0.283287 0.327176 0.079410 Te\n0.916799 0.133084 0.585877 S\n0.816971 0.663284 0.563171 S\n0.183029 0.163284 0.936829 S\n0.183029 0.336715 0.436829 S\n0.816971 0.836715 0.063171 S\n0.524317 0.660171 0.280213 S\n0.475683 0.160171 0.219786 S\n0.475683 0.339829 0.719786 S\n0.524317 0.839829 0.780213 S\n0.083201 0.866916 0.414123 S\n0.916799 0.366916 0.085877 S\n0.083200 0.633084 0.914123 S\n",
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{
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"structure_string": "Ce1 Th3\n1.0\n4.993348 -0.000000 0.000000\n0.000000 4.993348 0.000000\n-0.000000 -0.000000 4.993348\nCe Th\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n-0.000000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 -0.000000 Th\n",
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{
"id": "jvasp-12142",
"created_at": "2022-09-04T14:37:09.009709Z",
"updated_at": "2022-09-04T14:37:09.009721Z",
"structure_string": "Fe1 I2\n1.0\n3.996841 -0.000000 -0.000000\n-1.998420 3.461366 0.000000\n-0.000000 0.000000 6.750130\nFe I\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666668 0.240438 I\n0.666667 0.333333 0.759562 I\n",
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{
"id": "jvasp-109846",
"created_at": "2022-09-04T14:38:19.537326Z",
"updated_at": "2022-09-04T14:38:19.537347Z",
"structure_string": "K2 Nd1 Ag1 Cl6\n1.0\n6.588127 -0.000000 3.803657\n2.196042 6.211346 3.803657\n-0.000000 -0.000000 7.607314\nK Nd Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ag\n0.751267 0.248733 0.248733 Cl\n0.248733 0.248733 0.751266 Cl\n0.248733 0.751267 0.751267 Cl\n0.248733 0.751267 0.248734 Cl\n0.751267 0.248733 0.751266 Cl\n0.751267 0.751267 0.248734 Cl\n",
"nsites": 10,
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{
"id": "jvasp-118425",
"created_at": "2022-09-04T14:38:33.580445Z",
"updated_at": "2022-09-04T14:38:33.580481Z",
"structure_string": "H1 Pb1 I1\n1.0\n5.380114 -0.000000 0.000000\n-2.690057 4.659316 -0.000000\n0.000000 0.000000 3.725713\nH Pb I\n1 1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.666665 0.333334 0.000000 Pb\n0.333332 0.666667 0.000000 I\n",
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{
"id": "jvasp-103313",
"created_at": "2022-09-04T14:36:50.667833Z",
"updated_at": "2022-09-04T14:36:50.667853Z",
"structure_string": "Tb3 Eu1\n1.0\n4.993698 0.000000 -0.000000\n0.000000 4.993698 0.000000\n0.000000 -0.000000 4.993698\nTb Eu\n3 1\ndirect\n0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Eu\n",
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{
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"created_at": "2022-09-04T14:38:01.499852Z",
"updated_at": "2022-09-04T14:38:01.499879Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.410031 0.000001 0.000000\n-1.705016 2.953180 -0.000024\n-0.000001 -0.000358 37.102323\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333330 0.666661 0.326202 Te\n0.666665 0.333331 0.421864 Te\n0.666674 0.333347 0.523396 Te\n0.333315 0.666633 0.224614 Te\n0.333318 0.666637 0.096397 Mo\n0.666687 0.333376 0.658479 Mo\n0.333335 0.666671 0.472642 W\n0.666657 0.333315 0.275435 W\n0.333356 0.666715 0.702799 Se\n0.333349 0.666700 0.614084 Se\n0.666643 0.333287 0.055985 S\n0.666661 0.333321 0.136850 S\n",
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"density": 5.742031246052048,
"density_atomic": 0.03211676729188798,
"volume": 373.63660828438816,
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"formula_full": "Te4 Mo2 W2 Se2 S2",
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"formula_anonymous": "ABCDE2",
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{
"id": "jvasp-13355",
"created_at": "2022-09-04T14:36:57.502609Z",
"updated_at": "2022-09-04T14:36:57.502628Z",
"structure_string": "Ca2 Nd4 Te8\n1.0\n8.273805 0.047128 -0.000000\n-2.713503 7.816328 -0.000000\n-2.780151 -3.931728 6.728325\nCa Nd Te\n2 4 8\ndirect\n0.625001 0.375000 0.250000 Ca\n0.875001 0.125000 0.750001 Ca\n0.125446 0.750000 0.875446 Nd\n0.250001 0.625446 0.375446 Nd\n0.374555 0.250000 0.624555 Nd\n0.750001 0.874555 0.124555 Nd\n0.002320 0.857057 0.503049 Te\n-0.000728 0.354009 0.496952 Te\n0.497681 0.000729 0.854738 Te\n0.142943 0.145991 0.145262 Te\n0.357058 0.502320 0.003048 Te\n0.645992 0.642943 0.645263 Te\n0.500730 0.997681 0.354738 Te\n0.854010 0.499272 0.996952 Te\n",
"nsites": 14,
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"elements": [
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"volume": 435.98641482623736,
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{
"id": "jvasp-104502",
"created_at": "2022-09-04T14:37:06.272291Z",
"updated_at": "2022-09-04T14:37:06.272328Z",
"structure_string": "K2 Na1 Ce1 Cl6\n1.0\n6.588984 -0.000000 3.804151\n2.196328 6.212153 3.804151\n-0.000000 -0.000000 7.608303\nK Na Ce Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ce\n0.747227 0.252772 0.252773 Cl\n0.252773 0.252772 0.747227 Cl\n0.252773 0.747227 0.747227 Cl\n0.252773 0.747227 0.252772 Cl\n0.747227 0.252772 0.747227 Cl\n0.747227 0.747227 0.252772 Cl\n",
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{
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"created_at": "2022-09-04T14:37:12.291536Z",
"updated_at": "2022-09-04T14:37:12.291563Z",
"structure_string": "Nd4 Mg2\n1.0\n3.815698 -0.000000 0.000000\n1.907850 8.720120 0.000000\n0.000000 0.000000 5.616354\nNd Mg\n4 2\ndirect\n0.976568 0.046864 0.000000 Nd\n0.660500 0.679001 0.000000 Nd\n0.801211 0.397581 0.500000 Nd\n0.117277 0.765445 0.500000 Nd\n0.319821 0.360355 0.000000 Mg\n0.457955 0.084089 0.500000 Mg\n",
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{
"id": "jvasp-115682",
"created_at": "2022-09-04T14:38:45.518792Z",
"updated_at": "2022-09-04T14:38:45.518816Z",
"structure_string": "Pb2 Br2 Cl2\n1.0\n7.770628 0.000000 0.698717\n0.000000 4.593564 0.000000\n-2.546333 0.000000 5.007041\nPb Br Cl\n2 2 2\ndirect\n0.715861 0.749999 0.884321 Pb\n0.284140 0.250000 0.115678 Pb\n0.077252 0.749999 0.776133 Br\n0.922748 0.250000 0.223866 Br\n0.442148 0.250000 0.710720 Cl\n0.557853 0.749999 0.289279 Cl\n",
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{
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"created_at": "2022-09-04T14:36:44.294905Z",
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"structure_string": "K1 Rb2 Au1 Cl6\n1.0\n6.589548 -0.000000 3.804477\n2.196516 6.212685 3.804477\n-0.000000 -0.000000 7.608954\nK Rb Au Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750001 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Au\n0.767695 0.232306 0.232306 Cl\n0.232306 0.232306 0.767694 Cl\n0.232306 0.767695 0.767694 Cl\n0.232306 0.767695 0.232305 Cl\n0.767695 0.232306 0.767694 Cl\n0.767695 0.767695 0.232306 Cl\n",
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}