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{
"id": "jvasp-111791",
"created_at": "2022-09-04T14:38:40.930518Z",
"updated_at": "2022-09-04T14:38:40.930551Z",
"structure_string": "Nd2 Co2 Sb2 Pb2 O12\n1.0\n5.781385 0.000000 0.000000\n0.000000 4.644015 3.230815\n0.000000 0.047116 9.728293\nNd Co Sb Pb O\n2 2 2 2 12\ndirect\n0.807584 0.267683 0.247641 Nd\n0.192417 0.267683 0.747640 Nd\n0.738932 0.504163 0.497517 Co\n0.261069 0.504164 0.997517 Co\n0.740603 -0.000068 0.000742 Sb\n0.259398 -0.000068 0.500741 Sb\n0.726807 0.748062 0.747484 Pb\n0.273194 0.748061 0.247485 Pb\n0.019179 0.744224 0.041849 O\n0.980821 0.744225 0.541849 O\n0.778357 0.179246 0.752150 O\n0.221644 0.179245 0.252150 O\n0.735872 0.853137 0.246644 O\n0.553464 0.656717 0.049493 O\n0.962390 0.311486 0.963023 O\n0.037611 0.311485 0.463023 O\n0.548455 0.235359 0.453451 O\n0.446537 0.656717 0.549492 O\n0.264129 0.853138 0.746643 O\n0.451545 0.235359 0.953450 O\n",
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{
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"structure_string": "Li2 Mn6 O8\n1.0\n4.924467 -0.087375 -1.519667\n-0.258554 6.185158 -0.188216\n0.066018 -0.087363 5.153215\nLi Mn O\n2 6 8\ndirect\n0.500038 0.249925 0.000038 Li\n0.500040 0.749927 0.000039 Li\n0.000003 0.750011 0.500003 Mn\n-0.000004 0.500007 -0.000009 Mn\n0.499993 0.500008 0.499999 Mn\n0.000005 0.250014 0.500003 Mn\n-0.000005 0.000008 -0.000007 Mn\n0.499996 0.000011 0.499998 Mn\n0.754461 0.016748 0.254464 O\n0.754472 0.516757 0.254474 O\n0.245521 0.483296 0.745517 O\n0.245514 0.983289 0.745512 O\n0.753869 0.250000 0.746120 O\n0.753875 0.749997 0.746112 O\n0.246120 0.250008 0.253867 O\n0.246114 0.750004 0.253870 O\n",
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"volume": 157.34964470960955,
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"formula_full": "Li2 Mn6 O8",
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{
"id": "jvasp-114499",
"created_at": "2022-09-04T14:38:40.932420Z",
"updated_at": "2022-09-04T14:38:40.932445Z",
"structure_string": "La1 B1 O2\n1.0\n2.112045 1.219390 4.196454\n-2.112045 1.219390 4.196454\n-0.000000 -2.438779 4.196454\nLa B O\n1 1 2\ndirect\n0.499999 0.499999 0.499999 La\n0.000000 0.000000 0.000000 B\n0.894444 0.894444 0.894444 O\n0.105555 0.105555 0.105555 O\n",
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"elements": [
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},
{
"id": "jvasp-114200",
"created_at": "2022-09-04T14:38:40.937219Z",
"updated_at": "2022-09-04T14:38:40.937253Z",
"structure_string": "Ag1 P1 S4\n1.0\n-3.090348 3.090348 3.636512\n3.090348 -3.090348 3.636512\n3.090348 3.090348 -3.636512\nAg P S\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ag\n0.750000 0.250000 0.500001 P\n0.782279 0.315228 0.897317 S\n0.417912 0.884962 0.102685 S\n0.684772 0.582087 0.467050 S\n0.115038 0.217723 0.532951 S\n",
"nsites": 6,
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"volume": 138.91840598305532,
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"formula_full": "Ag1 P1 S4",
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{
"id": "jvasp-112634",
"created_at": "2022-09-04T14:38:40.937948Z",
"updated_at": "2022-09-04T14:38:40.937983Z",
"structure_string": "Sr2 La2 Al6 O14\n1.0\n7.925481 -0.014855 0.000000\n-0.038241 7.925403 0.000000\n-0.000000 -0.000000 5.245732\nSr La Al O\n2 2 6 14\ndirect\n0.661025 0.661025 0.491524 Sr\n0.338975 0.338975 0.491524 Sr\n0.836354 0.163646 0.507964 La\n0.163646 0.836354 0.507964 La\n0.856912 0.856912 0.037804 Al\n0.643296 0.356704 0.962447 Al\n0.143088 0.143088 0.037804 Al\n0.356704 0.643296 0.962447 Al\n0.500000 0.000000 0.000116 Al\n0.000000 0.500000 0.000116 Al\n0.350387 0.649613 0.294148 O\n0.133241 0.133241 0.704731 O\n0.649613 0.350387 0.294148 O\n0.866759 0.866760 0.704731 O\n0.917875 0.665910 0.188086 O\n0.589733 0.162392 0.807768 O\n0.837609 0.410268 0.807768 O\n0.410267 0.837609 0.807768 O\n0.162391 0.589733 0.807768 O\n0.334090 0.082125 0.188086 O\n0.500000 0.500000 0.836311 O\n0.665910 0.917875 0.188086 O\n0.082125 0.334090 0.188086 O\n0.000000 0.000000 0.182799 O\n",
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{
"id": "jvasp-116146",
"created_at": "2022-09-04T14:38:40.940874Z",
"updated_at": "2022-09-04T14:38:40.940908Z",
"structure_string": "Rb1 H1 Pd1\n1.0\n3.419811 0.000000 0.000000\n0.000000 3.419811 0.000000\n-0.000000 0.000000 6.756381\nRb H Pd\n1 1 1\ndirect\n0.000000 0.000000 0.658999 Rb\n0.000000 0.000000 0.014551 H\n0.000000 0.000000 0.250818 Pd\n",
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"formula_full": "Rb1 H1 Pd1",
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{
"id": "jvasp-116260",
"created_at": "2022-09-04T14:38:40.941357Z",
"updated_at": "2022-09-04T14:38:40.941387Z",
"structure_string": "Mg1 Al1 O3\n1.0\n2.645249 -2.667361 0.096325\n2.645249 2.667361 0.096325\n-0.593291 0.000000 3.705832\nMg Al O\n1 1 3\ndirect\n0.490963 0.490963 0.674582 Mg\n0.027625 0.027625 0.951294 Al\n0.527376 0.018572 0.910105 O\n0.018572 0.527376 0.910105 O\n0.048823 0.048823 0.440558 O\n",
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"spacegroup": 8
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{
"id": "jvasp-116050",
"created_at": "2022-09-04T14:38:40.941441Z",
"updated_at": "2022-09-04T14:38:40.941463Z",
"structure_string": "Sr2 N1 F1\n1.0\n1.885029 1.088322 6.133539\n-1.885029 1.088322 6.133539\n-0.000000 -2.176644 6.133539\nSr N F\n2 1 1\ndirect\n0.758673 0.758673 0.758673 Sr\n0.241327 0.241327 0.241327 Sr\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
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},
{
"id": "jvasp-111794",
"created_at": "2022-09-04T14:38:40.943989Z",
"updated_at": "2022-09-04T14:38:40.944020Z",
"structure_string": "Nd2 Co19 Si3\n1.0\n6.882893 0.014014 3.119681\n-0.046711 6.882748 3.119681\n0.002742 0.002766 6.305000\nNd Co Si\n2 19 3\ndirect\n0.747289 0.747289 0.126704 Nd\n0.252711 0.252712 0.873296 Nd\n0.500000 0.500000 -0.000000 Co\n0.921485 0.330898 0.308859 Co\n0.330898 0.921486 0.308859 Co\n0.418422 0.669185 0.641841 Co\n0.669185 0.418423 0.641841 Co\n0.167745 0.581115 0.061052 Co\n0.581115 0.167744 0.061052 Co\n0.832071 0.079950 0.228762 Co\n0.079950 0.832072 0.228762 Co\n0.078514 0.669102 0.691141 Co\n0.669101 0.078514 0.691141 Co\n0.581577 0.330815 0.358159 Co\n0.330815 0.581578 0.358158 Co\n0.832255 0.418885 0.938948 Co\n0.418884 0.832256 0.938948 Co\n0.167929 0.920050 0.771237 Co\n0.920049 0.167929 0.771238 Co\n0.746597 0.746597 0.626461 Co\n0.253403 0.253403 0.373539 Co\n-0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n-0.000000 0.000000 0.500000 Si\n",
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{
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"created_at": "2022-09-04T14:38:40.945243Z",
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"structure_string": "Li1 I1 Cl1\n1.0\n3.477735 0.000000 0.000000\n0.000000 3.477735 0.000000\n0.000000 -0.000000 8.357025\nLi I Cl\n1 1 1\ndirect\n0.000000 0.000000 0.005255 Li\n0.000000 0.000000 0.692888 I\n0.000000 0.000000 0.255625 Cl\n",
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{
"id": "jvasp-112467",
"created_at": "2022-09-04T14:38:40.948138Z",
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"structure_string": "Na2 Al2 F8\n1.0\n7.706507 0.004969 0.000000\n-6.844009 3.542573 0.000000\n-0.000000 -0.000000 5.283811\nNa Al F\n2 2 8\ndirect\n0.694428 0.305573 0.750000 Na\n0.305572 0.694427 0.250000 Na\n0.914461 0.085540 0.750000 Al\n0.085539 0.914460 0.250000 Al\n0.829246 0.170755 0.511944 F\n0.170754 0.829245 0.488056 F\n0.829246 0.170755 0.988056 F\n0.170754 0.829245 0.011944 F\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.418765 0.581235 0.750000 F\n0.581235 0.418765 0.250000 F\n",
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{
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"created_at": "2022-09-04T14:38:40.950053Z",
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"structure_string": "Lu10 Pt6\n1.0\n8.258583 0.000000 -0.000000\n-4.129292 7.152143 0.000000\n0.000000 -0.000000 5.970473\nLu Pt\n10 6\ndirect\n0.666667 0.333333 0.500000 Lu\n0.333333 0.666667 0.500000 Lu\n0.333333 0.666667 0.000000 Lu\n0.666667 0.333333 0.000000 Lu\n0.754592 0.754592 0.250000 Lu\n0.245408 -0.000000 0.250000 Lu\n0.000000 0.245408 0.250000 Lu\n0.245408 0.245408 0.750000 Lu\n0.754592 -0.000000 0.750000 Lu\n0.000000 0.754592 0.750000 Lu\n0.394098 0.394098 0.250000 Pt\n0.605902 -0.000000 0.250000 Pt\n0.000000 0.605902 0.250000 Pt\n0.605902 0.605902 0.750000 Pt\n0.394098 -0.000000 0.750000 Pt\n0.000000 0.394098 0.750000 Pt\n",
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"formula_full": "Lu10 Pt6",
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}