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{
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{
"id": "jvasp-45396",
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"updated_at": "2022-09-04T14:37:06.455341Z",
"structure_string": "Al4 Ge4 O14\n1.0\n5.166484 -0.001359 -1.268531\n-0.761190 5.110103 -1.268531\n0.004569 0.005299 9.817912\nAl Ge O\n4 4 14\ndirect\n0.595630 0.748477 0.979419 Al\n0.251523 0.404370 0.520580 Al\n0.404369 0.251523 0.020580 Al\n0.748477 0.595630 0.479419 Al\n0.509407 0.007201 0.705123 Ge\n0.490593 0.992798 0.294877 Ge\n0.007201 0.509407 0.205123 Ge\n0.992798 0.490593 0.794877 Ge\n0.141035 0.278181 0.099635 O\n0.721818 0.858964 0.400365 O\n0.858964 0.721818 0.900365 O\n0.981947 0.437894 0.371835 O\n0.836386 0.163614 0.750000 O\n0.518790 0.681778 0.602911 O\n0.318221 0.481210 0.897089 O\n0.481210 0.318221 0.397089 O\n0.681778 0.518790 0.102911 O\n0.437894 0.981947 0.871835 O\n0.018052 0.562105 0.628165 O\n0.562105 0.018052 0.128165 O\n0.163613 0.836386 0.250000 O\n0.278181 0.141035 0.599635 O\n",
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{
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"structure_string": "Al4 Ge2 H4 O12\n1.0\n2.496927 4.245657 -0.977912\n-2.496927 4.245657 0.977912\n0.021409 0.000000 9.470470\nAl Ge H O\n4 2 4 12\ndirect\n0.469793 0.297909 0.914227 Al\n0.297909 0.469792 0.585773 Al\n0.530208 0.702091 0.085773 Al\n0.702092 0.530208 0.414227 Al\n0.027447 0.027446 0.750000 Ge\n0.972554 0.972554 0.250000 Ge\n0.920328 0.387266 0.947703 H\n0.387266 0.920328 0.552297 H\n0.079673 0.612735 0.052297 H\n0.612735 0.079672 0.447703 H\n0.484660 0.713078 0.541098 O\n0.713079 0.484660 0.958903 O\n0.356722 0.836549 0.237776 O\n0.836549 0.356722 0.262224 O\n0.643279 0.163452 0.762224 O\n0.069441 0.246557 0.588866 O\n0.753443 0.930560 0.088866 O\n0.930560 0.753443 0.411134 O\n0.246558 0.069441 0.911134 O\n0.286922 0.515341 0.041097 O\n0.163452 0.643279 0.737776 O\n0.515341 0.286922 0.458903 O\n",
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{
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"created_at": "2022-09-04T14:37:08.460116Z",
"updated_at": "2022-09-04T14:37:08.460143Z",
"structure_string": "Al4 Hg2 O8\n1.0\n0.000000 4.270181 4.270181\n-4.270289 4.270181 0.000000\n-0.000000 -4.270181 4.270181\nAl Hg O\n4 2 8\ndirect\n0.375000 0.750000 0.375000 Al\n0.875000 0.750000 0.375000 Al\n0.375000 0.250000 0.875000 Al\n0.375000 0.250000 0.375000 Al\n0.750000 0.500000 0.750000 Hg\n0.000000 0.000000 0.000000 Hg\n0.602491 0.795018 0.602497 O\n0.602491 0.795018 0.192521 O\n0.147509 0.704982 0.147503 O\n0.147509 0.704982 0.557480 O\n0.557479 0.295018 0.147509 O\n0.147503 0.295018 0.147509 O\n0.602497 0.204982 0.602491 O\n0.192520 0.204982 0.602491 O\n",
"nsites": 14,
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"density_atomic": 0.08989762216825972,
"volume": 155.7327064090356,
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{
"id": "jvasp-116919",
"created_at": "2022-09-04T14:38:47.070806Z",
"updated_at": "2022-09-04T14:38:47.070845Z",
"structure_string": "Al4 Hg2 S8\n1.0\n6.361134 -0.000000 3.672602\n2.120378 5.997335 3.672602\n0.000000 -0.000000 7.345205\nAl Hg S\n4 2 8\ndirect\n0.125000 0.625000 0.624999 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.624999 Al\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Hg\n0.828640 0.390453 0.390453 S\n0.390454 0.828640 0.390453 S\n0.390453 0.390453 0.828640 S\n0.390453 0.390453 0.390453 S\n0.421360 0.859546 0.859546 S\n0.859546 0.421359 0.859546 S\n0.859547 0.859546 0.421359 S\n0.859547 0.859546 0.859546 S\n",
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{
"id": "jvasp-2661",
"created_at": "2022-09-04T14:36:34.390667Z",
"updated_at": "2022-09-04T14:36:34.390691Z",
"structure_string": "Al2 Hg1 S4\n1.0\n5.040914 -0.000000 -2.377590\n-1.121410 4.914595 -2.377590\n-0.025778 -0.032322 6.477960\nAl Hg S\n2 1 4\ndirect\n0.250000 0.750001 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Hg\n0.865948 0.861013 0.275275 S\n0.409327 0.414264 0.275275 S\n0.138988 0.590674 0.724725 S\n0.585736 0.134052 0.724725 S\n",
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{
"id": "jvasp-2205",
"created_at": "2022-09-04T14:36:52.221947Z",
"updated_at": "2022-09-04T14:36:52.221975Z",
"structure_string": "Al2 Hg1 Se4\n1.0\n5.259263 0.000000 -2.467332\n-1.157525 5.130301 -2.467332\n-0.011502 -0.014386 6.814363\nAl Hg Se\n2 1 4\ndirect\n0.250001 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Hg\n0.125499 0.137045 0.719984 Se\n0.594486 0.582938 0.719984 Se\n0.862954 0.405514 0.280016 Se\n0.417062 0.874501 0.280016 Se\n",
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{
"id": "jvasp-61120",
"created_at": "2022-09-04T14:35:44.167435Z",
"updated_at": "2022-09-04T14:35:44.167445Z",
"structure_string": "Al4 Hg2 Se8\n1.0\n0.000000 5.483360 5.483360\n5.483360 -0.000000 5.483360\n5.483360 5.483360 0.000000\nAl Hg Se\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.875000 0.875000 0.375000 Hg\n0.125000 0.125000 0.625000 Hg\n0.735527 0.735527 0.793418 Se\n0.293418 0.735527 0.235527 Se\n0.735527 0.735527 0.235527 Se\n0.735527 0.293418 0.235527 Se\n0.706582 0.264473 0.764473 Se\n0.264473 0.264473 0.206582 Se\n0.264473 0.264473 0.764473 Se\n0.264473 0.706582 0.764473 Se\n",
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{
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"created_at": "2022-09-04T14:36:47.948473Z",
"updated_at": "2022-09-04T14:36:47.948492Z",
"structure_string": "Al2 Hg1 Te4\n1.0\n5.685128 -0.000000 -2.525291\n-1.121716 5.573368 -2.525292\n-0.110837 -0.135367 7.412516\nAl Hg Te\n2 1 4\ndirect\n0.249999 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Hg\n0.861367 0.886967 0.279134 Te\n0.417766 0.392168 0.279133 Te\n0.113033 0.582233 0.720867 Te\n0.607832 0.138632 0.720867 Te\n",
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{
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"updated_at": "2022-09-04T14:37:54.842344Z",
"structure_string": "Al2 Ir1 Os1\n1.0\n-0.000000 3.021234 3.021234\n3.021234 0.000000 3.021234\n3.021234 3.021234 0.000000\nAl Ir Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.499999 0.499999 Al\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Os\n",
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{
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"created_at": "2022-09-04T14:37:32.573282Z",
"updated_at": "2022-09-04T14:37:32.573307Z",
"structure_string": "Al2 Ir1 Rh1\n1.0\n0.000001 3.013779 3.013780\n3.013786 -0.000000 3.013781\n3.013789 3.013783 -0.000003\nAl Ir Rh\n2 1 1\ndirect\n0.500001 0.500002 0.500001 Al\n0.000001 -0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Ir\n0.749998 0.750001 0.750001 Rh\n",
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{
"id": "jvasp-39905",
"created_at": "2022-09-04T14:37:48.694808Z",
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"structure_string": "Al2 Ir1 Ru1\n1.0\n0.000000 3.009824 3.009824\n3.009824 0.000000 3.009824\n3.009824 3.009824 0.000000\nAl Ir Ru\n2 1 1\ndirect\n0.499998 0.499998 0.499998 Al\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Ir\n0.749999 0.749999 0.749999 Ru\n",
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{
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"created_at": "2022-09-04T14:37:39.582123Z",
"updated_at": "2022-09-04T14:37:39.582150Z",
"structure_string": "Al8 Mo12 C4\n1.0\n6.893456 0.000000 0.000000\n-0.000000 6.893456 -0.000000\n0.000000 0.000000 6.893456\nAl Mo C\n8 12 4\ndirect\n0.566508 0.433493 0.933493 Al\n0.683493 0.683493 0.683493 Al\n0.933493 0.566508 0.433493 Al\n0.433493 0.933493 0.566508 Al\n0.183493 0.816508 0.316507 Al\n0.816508 0.316507 0.183493 Al\n0.316507 0.183493 0.816508 Al\n0.066507 0.066507 0.066507 Al\n0.125000 0.201849 0.451849 Mo\n0.375000 0.798151 0.951850 Mo\n0.875001 0.701849 0.048151 Mo\n0.201849 0.451849 0.125000 Mo\n0.798151 0.951850 0.375000 Mo\n0.048151 0.875001 0.701849 Mo\n0.951850 0.375000 0.798151 Mo\n0.298151 0.548151 0.625000 Mo\n0.548151 0.625000 0.298151 Mo\n0.701849 0.048151 0.875001 Mo\n0.625000 0.298151 0.548151 Mo\n0.451849 0.125000 0.201849 Mo\n0.625000 0.875001 0.125000 C\n0.875001 0.125000 0.625000 C\n0.125000 0.625000 0.875001 C\n0.375000 0.375000 0.375000 C\n",
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],
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}