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{
"id": "jvasp-120120",
"created_at": "2022-09-04T14:38:38.979221Z",
"updated_at": "2022-09-04T14:38:38.979249Z",
"structure_string": "Al1 As1 O4\n1.0\n-2.513905 2.513905 3.796462\n2.513905 -2.513905 3.796462\n2.513905 2.513905 -3.796462\nAl As O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.750001 0.500001 As\n0.617403 0.729891 0.597619 O\n0.132274 0.019785 0.402384 O\n0.270110 0.867729 0.887514 O\n0.980216 0.382597 0.112489 O\n",
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{
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"structure_string": "Zn3 As2 H16 O16\n1.0\n4.589908 -0.980596 -1.472747\n-2.960169 9.073259 -0.933250\n-1.292261 1.353176 9.405137\nZn As H O\n3 2 16 16\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.622666 0.377334 Zn\n0.000000 0.377334 0.622666 Zn\n0.749517 0.688696 0.688696 As\n0.250484 0.311304 0.311304 As\n0.399614 0.794960 -0.006640 H\n0.600386 0.006639 0.205039 H\n0.988339 0.490455 0.183208 H\n0.011662 0.816792 0.509545 H\n0.011662 0.509545 0.816792 H\n0.988339 0.183208 0.490455 H\n0.466074 0.891048 0.505277 H\n0.399614 -0.006639 0.794961 H\n0.466074 0.505277 0.891048 H\n0.533926 0.108953 0.494723 H\n0.678037 0.720769 0.079524 H\n0.321963 0.920475 0.279230 H\n0.533926 0.494723 0.108952 H\n0.600386 0.205039 0.006639 H\n0.678037 0.079525 0.720770 H\n0.321964 0.279231 0.920476 H\n0.228445 0.855787 0.424288 O\n0.020824 0.839477 0.839477 O\n0.979177 0.160523 0.160523 O\n0.309811 0.610450 0.610450 O\n0.690189 0.389550 0.389550 O\n0.784953 0.516692 0.743074 O\n0.215047 0.256926 0.483308 O\n0.215047 0.483308 0.256926 O\n0.784953 0.743074 0.516692 O\n0.360245 0.958994 0.185051 O\n0.639756 0.814949 0.041005 O\n0.639756 0.041006 0.814950 O\n0.360246 0.185051 0.958995 O\n0.228445 0.424289 0.855787 O\n0.771555 0.575712 0.144213 O\n0.771556 0.144213 0.575712 O\n",
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{
"id": "jvasp-115435",
"created_at": "2022-09-04T14:38:46.977406Z",
"updated_at": "2022-09-04T14:38:46.977432Z",
"structure_string": "Na1 Sr1 As1\n1.0\n3.384996 -0.000000 0.000000\n-0.000000 3.384996 -0.000000\n0.000000 -0.000000 9.367245\nNa Sr As\n1 1 1\ndirect\n0.000000 0.000000 0.562840 Na\n0.000000 0.000000 -0.046214 Sr\n0.000000 0.000000 0.265699 As\n",
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{
"id": "jvasp-85675",
"created_at": "2022-09-04T14:35:45.521889Z",
"updated_at": "2022-09-04T14:35:45.521920Z",
"structure_string": "Na3 Mg1 P2 H1 O8\n1.0\n4.640182 0.000239 -2.395549\n-0.159184 6.833922 -0.186110\n0.022154 -0.001581 5.174204\nNa Mg P H O\n3 1 2 1 8\ndirect\n0.295007 0.785545 0.661641 Na\n0.704992 0.214455 0.338358 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Mg\n0.355243 0.242700 0.660455 P\n0.644757 0.757300 0.339543 P\n0.500000 0.500000 -0.000000 H\n0.217454 0.097851 0.784073 O\n0.782546 0.902149 0.215926 O\n0.683143 0.211565 0.787427 O\n0.316856 0.788435 0.212571 O\n0.313081 0.456541 0.758365 O\n0.686919 0.543459 0.241634 O\n0.791309 0.772090 0.674316 O\n0.208691 0.227910 0.325683 O\n",
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{
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"created_at": "2022-09-04T14:36:08.132311Z",
"updated_at": "2022-09-04T14:36:08.132339Z",
"structure_string": "Li4 Mn2 Si4 O12\n1.0\n4.994036 -0.069242 1.242615\n-0.159591 4.991766 1.243239\n0.110420 0.111259 10.318664\nLi Mn Si O\n4 2 4 12\ndirect\n0.931596 0.365898 0.166333 Li\n0.847549 0.781506 0.334823 Li\n0.217254 0.151209 0.666129 Li\n0.632863 0.067171 0.834617 Li\n0.788697 0.210063 0.500474 Mn\n0.038353 -0.039589 0.000472 Mn\n0.449527 0.027848 0.166055 Si\n0.365038 0.443816 0.334893 Si\n0.554937 0.633725 0.666063 Si\n-0.029095 0.549235 0.834901 Si\n0.242478 0.727627 0.721969 O\n0.714116 0.699233 0.779134 O\n0.553385 0.313333 0.672779 O\n0.690733 0.826714 0.514274 O\n0.172043 0.308033 0.486682 O\n0.408491 0.043328 0.014039 O\n0.299529 0.284634 0.221825 O\n0.271136 0.756276 0.278988 O\n0.763110 0.022830 0.173018 O\n-0.024075 0.235653 0.827936 O\n0.685429 0.445377 0.328176 O\n0.955417 0.590268 -0.013082 O\n",
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"formula_full": "Li4 Mn2 Si4 O12",
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{
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"created_at": "2022-09-04T14:38:34.991405Z",
"updated_at": "2022-09-04T14:38:34.991432Z",
"structure_string": "Sn4 Cl16\n1.0\n0.000000 9.660329 -0.090370\n6.538734 0.000000 0.000000\n0.000000 -2.125495 -9.525124\nSn Cl\n4 16\ndirect\n0.247217 0.080910 0.872578 Sn\n0.752783 0.580910 0.627421 Sn\n0.752783 0.919089 0.127421 Sn\n0.247217 0.419089 0.372579 Sn\n0.563747 0.087436 0.191240 Cl\n0.436254 0.587436 0.308759 Cl\n0.313365 0.414946 0.934382 Cl\n0.686636 0.914945 0.565618 Cl\n0.686636 0.585054 0.065618 Cl\n0.313365 0.085054 0.434382 Cl\n0.056357 0.077703 0.682837 Cl\n0.943643 0.922296 0.317163 Cl\n0.563747 0.412563 0.691240 Cl\n0.056357 0.422296 0.182837 Cl\n0.187059 0.587948 0.560976 Cl\n0.812942 0.087949 0.939024 Cl\n0.812942 0.412051 0.439024 Cl\n0.187058 0.912051 0.060976 Cl\n0.943644 0.577703 0.817162 Cl\n0.436254 0.912563 0.808759 Cl\n",
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"formula_full": "Sn4 Cl16",
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{
"id": "jvasp-9990",
"created_at": "2022-09-04T14:37:19.075687Z",
"updated_at": "2022-09-04T14:37:19.075717Z",
"structure_string": "Ca5 B3 O9 F1\n1.0\n3.525148 -0.006944 0.298694\n1.208405 7.182976 3.687086\n-0.012725 0.000763 9.040983\nCa B O F\n5 3 9 1\ndirect\n0.642307 0.204606 -0.000000 Ca\n0.347434 0.698611 0.235476 Ca\n0.347434 0.934087 0.764523 Ca\n0.006099 0.261624 0.356638 Ca\n0.006099 0.618262 0.643362 Ca\n0.591630 0.319928 0.608045 B\n0.591631 0.927974 0.391954 B\n0.965346 0.558531 -0.000001 B\n0.793851 0.141587 0.653693 O\n0.918697 0.571261 0.148460 O\n0.581594 0.406465 0.709741 O\n0.403428 0.408596 0.456442 O\n0.403429 0.865038 0.543558 O\n0.581595 0.116206 0.290259 O\n0.056680 0.386709 0.000000 O\n0.918696 0.719720 0.851539 O\n0.793852 0.795282 0.346306 O\n0.247802 -0.000881 -0.000000 F\n",
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{
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"created_at": "2022-09-04T14:35:45.146917Z",
"updated_at": "2022-09-04T14:35:45.146928Z",
"structure_string": "Sc1 Be2 Si1\n1.0\n2.940797 0.000000 0.000000\n-0.000000 2.940797 -0.000000\n-0.000000 -0.000000 6.092986\nSc Be Si\n1 2 1\ndirect\n0.000000 0.000000 0.491091 Sc\n0.000000 0.000000 0.026599 Be\n0.500000 0.500000 0.179523 Be\n0.500000 0.500000 0.802788 Si\n",
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{
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"created_at": "2022-09-04T14:36:01.752290Z",
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"structure_string": "Mg6 Zn2\n1.0\n6.149571 -0.000000 -0.000000\n-3.074786 5.325685 -0.000000\n0.000000 0.000000 4.888521\nMg Zn\n6 2\ndirect\n0.659254 0.829626 0.750000 Mg\n0.170372 0.340744 0.750000 Mg\n0.170372 0.829626 0.750000 Mg\n0.829626 0.659255 0.250000 Mg\n0.829627 0.170373 0.250000 Mg\n0.340744 0.170373 0.250000 Mg\n0.666667 0.333333 0.750000 Zn\n0.333332 0.666666 0.250000 Zn\n",
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{
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"created_at": "2022-09-04T14:37:51.670913Z",
"updated_at": "2022-09-04T14:37:51.670939Z",
"structure_string": "Sn4 Cl16\n1.0\n0.000000 9.662098 -0.089719\n6.538849 0.000000 0.000000\n0.000000 -2.126545 -9.525955\nSn Cl\n4 16\ndirect\n0.247231 0.081001 0.872667 Sn\n0.752770 0.581001 0.627334 Sn\n0.752770 0.919000 0.127334 Sn\n0.247230 0.418999 0.372667 Sn\n0.563760 0.087245 0.191176 Cl\n0.436241 0.587245 0.308825 Cl\n0.313369 0.415013 0.934532 Cl\n0.686632 0.915013 0.565469 Cl\n0.686631 0.584987 0.065469 Cl\n0.313369 0.084987 0.434531 Cl\n0.056351 0.077773 0.682969 Cl\n0.943650 0.922227 0.317032 Cl\n0.563760 0.412755 0.691176 Cl\n0.056351 0.422227 0.182969 Cl\n0.187109 0.587898 0.561034 Cl\n0.812892 0.087898 0.938967 Cl\n0.812892 0.412102 0.438967 Cl\n0.187109 0.912102 0.061034 Cl\n0.943650 0.577774 0.817032 Cl\n0.436241 0.912755 0.808825 Cl\n",
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{
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"structure_string": "Cr1 B1 O4\n1.0\n-2.237731 2.237730 3.663897\n2.237731 -2.237730 3.663897\n2.237730 2.237731 -3.663897\nCr B O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.749999 0.499999 B\n0.590908 0.012194 0.876277 O\n0.285369 0.409090 0.421285 O\n0.135917 0.714630 0.123722 O\n-0.012195 0.864082 0.578713 O\n",
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{
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"created_at": "2022-09-04T14:38:44.325137Z",
"updated_at": "2022-09-04T14:38:44.325166Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n4.981318 -0.000002 -0.000017\n-0.000000 10.380751 0.001023\n0.000026 -0.000703 6.714223\nLi V Si O\n4 4 4 16\ndirect\n0.242549 0.153069 0.502120 Li\n0.742549 0.346930 0.002119 Li\n0.242549 0.653067 0.997880 Li\n0.742548 0.846929 0.497879 Li\n0.744619 0.333323 0.509690 V\n0.244619 0.666675 0.490308 V\n0.244618 0.166674 0.009692 V\n0.744619 0.833324 0.990306 V\n0.249748 0.908037 0.243734 Si\n0.749748 0.591961 0.743732 Si\n0.249748 0.408036 0.256266 Si\n0.749749 0.091962 0.756265 Si\n0.119570 0.334693 0.451652 O\n0.619571 0.165305 0.951652 O\n0.129851 0.840628 0.446948 O\n0.629853 0.659371 0.946947 O\n0.129853 0.340627 0.053052 O\n0.629852 0.159369 0.553051 O\n0.575298 0.880187 0.235927 O\n0.684218 0.436992 0.740893 O\n0.575297 0.380188 0.264073 O\n0.075298 0.119811 0.764072 O\n0.684216 0.936990 0.759106 O\n0.184217 0.563007 0.259107 O\n0.619570 0.665304 0.548347 O\n0.184216 0.063007 0.240893 O\n0.075298 0.619811 0.735926 O\n0.119570 0.834693 0.048347 O\n",
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],
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"formula_full": "Li4 V4 Si4 O16",
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}
]
}