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{
"id": "jvasp-46014",
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"structure_string": "Tm4 H4 O8\n1.0\n0.000000 5.878733 0.000912\n5.405101 0.000000 0.000000\n0.000000 -1.867555 -5.566626\nTm H O\n4 4 8\ndirect\n0.233931 0.486489 0.748033 Tm\n0.233930 0.013511 0.248033 Tm\n0.766070 0.986488 0.751968 Tm\n0.766070 0.513511 0.251968 Tm\n0.281621 0.972722 0.734665 H\n0.718381 0.472722 0.765337 H\n0.281620 0.527278 0.234664 H\n0.718380 0.027278 0.265336 H\n0.132582 0.139199 0.875094 O\n0.132582 0.360801 0.375094 O\n0.367984 0.866180 0.644389 O\n0.632018 0.366180 0.855612 O\n0.367983 0.633820 0.144389 O\n0.632017 0.133820 0.355612 O\n0.867419 0.639199 0.624907 O\n0.867418 0.860801 0.124907 O\n",
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"structure_string": "Tm4 In1 Ni2 Ge4\n1.0\n4.029514 0.000000 -1.102865\n-0.586228 6.615108 -2.141885\n0.008949 -0.001418 7.945398\nTm In Ni Ge\n4 1 2 4\ndirect\n0.344235 0.063084 0.688469 Tm\n0.655764 0.936916 0.311530 Tm\n0.408219 0.609125 0.816438 Tm\n0.591780 0.390875 0.183561 Tm\n0.000000 0.000000 0.000000 In\n0.218001 0.637613 0.436003 Ni\n0.781997 0.362387 0.563996 Ni\n0.066231 0.662868 0.132463 Ge\n0.933768 0.337132 0.867536 Ge\n0.201552 0.262323 0.403105 Ge\n0.798447 0.737677 0.596894 Ge\n",
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{
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"updated_at": "2022-09-04T14:38:13.010438Z",
"structure_string": "Tm4 In2\n1.0\n2.641347 -4.574948 0.000000\n2.641347 4.574948 0.000000\n-0.000000 0.000000 6.581581\nTm In\n4 2\ndirect\n0.000000 0.000000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\n0.666668 0.333333 0.250000 Tm\n0.333333 0.666668 0.750000 Tm\n0.333333 0.666668 0.250000 In\n0.666668 0.333333 0.750000 In\n",
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{
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"created_at": "2022-09-04T14:37:39.860720Z",
"updated_at": "2022-09-04T14:37:39.860744Z",
"structure_string": "Tm4 In2 Pd4\n1.0\n7.684791 -0.000000 -0.000000\n-0.000000 7.684791 -0.000000\n-0.000000 0.000000 3.602905\nTm In Pd\n4 2 4\ndirect\n0.328718 0.828718 0.499999 Tm\n0.828718 0.671282 0.499999 Tm\n0.171282 0.328718 0.499999 Tm\n0.671282 0.171282 0.499999 Tm\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.371086 0.128914 0.000000 Pd\n0.871086 0.371086 0.000000 Pd\n0.128914 0.628914 0.000000 Pd\n0.628914 0.871086 0.000000 Pd\n",
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{
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"created_at": "2022-09-04T14:37:35.872985Z",
"updated_at": "2022-09-04T14:37:35.873017Z",
"structure_string": "Tm4 Mg2\n1.0\n3.538371 -0.000000 0.000000\n1.769186 8.537439 0.000000\n0.000000 0.000000 5.367645\nTm Mg\n4 2\ndirect\n0.987372 0.025256 0.000000 Tm\n0.662642 0.674718 0.000000 Tm\n0.790406 0.419189 0.499999 Tm\n0.115138 0.769727 0.499999 Tm\n0.326052 0.347897 0.000000 Mg\n0.451726 0.096548 0.499999 Mg\n",
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{
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"created_at": "2022-09-04T14:37:45.019394Z",
"updated_at": "2022-09-04T14:37:45.019419Z",
"structure_string": "Tm4 Mg2 Ge4\n1.0\n7.161448 0.000000 0.000000\n0.000000 7.161448 0.000000\n0.000000 0.000000 4.175597\nTm Mg Ge\n4 2 4\ndirect\n0.176874 0.323126 0.500000 Tm\n0.323126 0.823127 0.500000 Tm\n0.676874 0.176874 0.500000 Tm\n0.823127 0.676874 0.500000 Tm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.125432 0.625432 0.000000 Ge\n0.374568 0.125432 0.000000 Ge\n0.625432 0.874568 0.000000 Ge\n0.874568 0.374568 0.000000 Ge\n",
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"formula_full": "Tm4 Mg2 Ge4",
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{
"id": "jvasp-99884",
"created_at": "2022-09-04T14:36:36.676465Z",
"updated_at": "2022-09-04T14:36:36.676484Z",
"structure_string": "Tm4 Mg2 Ni4\n1.0\n7.266870 -0.000000 0.000000\n0.000000 7.266870 -0.000000\n-0.000000 0.000000 3.631340\nTm Mg Ni\n4 2 4\ndirect\n0.669077 0.169077 0.500000 Tm\n0.330923 0.830923 0.500000 Tm\n0.169077 0.330923 0.500000 Tm\n0.830923 0.669077 0.500000 Tm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.125126 0.625126 0.000000 Ni\n0.874874 0.374874 0.000000 Ni\n0.625126 0.874874 0.000000 Ni\n0.374874 0.125126 0.000000 Ni\n",
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"volume": 191.76162245220684,
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"formula_full": "Tm4 Mg2 Ni4",
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{
"id": "jvasp-119219",
"created_at": "2022-09-04T14:38:52.306786Z",
"updated_at": "2022-09-04T14:38:52.306804Z",
"structure_string": "Tm4 Mg2 Se8\n1.0\n6.999232 0.012446 -2.609468\n-3.371316 6.133811 -2.609468\n-0.007346 -0.012446 7.469841\nTm Mg Se\n4 2 8\ndirect\n0.874999 0.756514 0.381513 Tm\n0.506513 0.125000 0.881513 Tm\n0.374999 0.493486 0.618486 Tm\n0.243486 0.625000 0.118486 Tm\n0.000000 0.000000 0.000000 Mg\n0.749999 0.250000 0.500000 Mg\n0.512797 0.380197 0.261577 Se\n0.748779 0.487203 0.867398 Se\n0.118618 0.251219 0.738422 Se\n0.619803 0.881381 0.132600 Se\n0.237203 -0.001220 0.367399 Se\n0.001219 0.368619 0.238422 Se\n0.631380 0.869803 0.632600 Se\n0.130195 0.762797 0.761576 Se\n",
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{
"id": "jvasp-11405",
"created_at": "2022-09-04T14:38:14.285198Z",
"updated_at": "2022-09-04T14:38:14.285228Z",
"structure_string": "Tm4 Mg2 Se8\n1.0\n7.046867 0.000000 4.068510\n2.348956 6.643850 4.068510\n-0.000000 -0.000000 8.137021\nTm Mg Se\n4 2 8\ndirect\n0.500001 0.500000 0.500000 Tm\n0.500000 0.000000 0.500000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500001 0.500000 -0.000000 Tm\n0.875001 0.875000 0.874999 Mg\n0.125000 0.125000 0.125000 Mg\n0.255071 0.255071 0.734787 Se\n0.744930 0.744929 0.744928 Se\n0.744930 0.744929 0.265212 Se\n0.255072 0.734788 0.255071 Se\n0.255071 0.255071 0.255071 Se\n0.265213 0.744929 0.744928 Se\n0.744929 0.265212 0.744928 Se\n0.734788 0.255071 0.255071 Se\n",
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{
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"created_at": "2022-09-04T14:37:43.561417Z",
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"structure_string": "Tm4 Mg8\n1.0\n2.989067 -5.177216 -0.000000\n2.989067 5.177216 -0.000000\n0.000000 0.000000 9.664464\nTm Mg\n4 8\ndirect\n0.666668 0.333333 0.063778 Tm\n0.333333 0.666668 0.563777 Tm\n0.333333 0.666668 0.936222 Tm\n0.666668 0.333333 0.436222 Tm\n0.171111 0.342221 0.250000 Mg\n0.342221 0.171111 0.750000 Mg\n0.828890 0.171111 0.750000 Mg\n0.171111 0.828890 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.828890 0.657780 0.750000 Mg\n0.657780 0.828890 0.250000 Mg\n",
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{
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"created_at": "2022-09-04T14:38:42.243302Z",
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"structure_string": "Tm4 Mn2 C8\n1.0\n6.126046 0.003168 -2.142701\n-1.349973 4.389895 -4.585413\n-0.002005 -0.003168 6.489962\nTm Mn C\n4 2 8\ndirect\n0.508231 0.354269 0.153962 Tm\n0.491769 0.645730 0.846037 Tm\n0.200306 0.854268 0.346037 Tm\n0.799694 0.145731 0.653962 Tm\n-0.000000 0.250000 0.250000 Mn\n-0.000000 0.749999 0.749999 Mn\n0.251802 0.079636 0.172164 C\n0.748199 0.920363 0.827836 C\n0.907473 0.579636 0.327836 C\n0.092527 0.420363 0.672163 C\n0.473639 0.129941 0.343699 C\n0.526361 0.870058 0.656301 C\n0.786243 0.629941 0.156302 C\n0.213757 0.370058 0.843698 C\n",
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{
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"structure_string": "Tm4 Mn2 S8\n1.0\n7.140443 -0.359100 -2.304625\n-3.881212 6.004256 -2.304625\n0.207326 0.359100 7.500284\nTm Mn S\n4 2 8\ndirect\n0.018367 0.750000 0.768367 Tm\n0.250000 0.518367 0.268367 Tm\n0.481634 0.250000 0.731633 Tm\n0.750000 0.981634 0.231634 Tm\n0.625000 0.375000 0.250000 Mn\n0.875000 0.125000 0.749999 Mn\n0.036351 0.991596 0.552007 S\n0.984344 0.439590 0.447993 S\n0.463650 0.015656 0.955245 S\n0.008404 0.060410 0.044755 S\n0.491596 0.536351 0.052006 S\n0.560411 0.508404 0.544754 S\n0.515656 0.963650 0.455246 S\n0.939590 0.484345 0.947993 S\n",
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]
}