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{
"id": "jvasp-49963",
"created_at": "2022-09-04T14:35:45.627759Z",
"updated_at": "2022-09-04T14:35:45.627784Z",
"structure_string": "Sr4 Ca4 I16\n1.0\n7.052338 -0.000000 0.000000\n-0.000000 7.881294 0.000000\n0.000000 0.000000 18.548973\nSr Ca I\n4 4 16\ndirect\n0.000000 0.750000 0.066920 Sr\n0.000000 0.250000 0.933080 Sr\n0.500000 0.250000 0.433080 Sr\n0.500000 0.750000 0.566920 Sr\n0.000000 0.750000 0.314156 Ca\n0.000000 0.250000 0.685844 Ca\n0.500000 0.750000 0.814156 Ca\n0.500000 0.250000 0.185844 Ca\n0.257219 0.086992 0.805094 I\n0.257219 0.586992 0.194906 I\n0.242781 0.086992 0.305094 I\n0.242781 0.586992 0.694906 I\n0.237416 0.088291 0.561356 I\n0.237416 0.588290 0.438644 I\n0.762584 0.411709 0.561356 I\n0.742782 0.413007 0.805094 I\n0.757219 0.913007 0.694906 I\n0.757219 0.413007 0.305094 I\n0.262584 0.088291 0.061356 I\n0.742782 0.913007 0.194906 I\n0.737417 0.911709 0.938644 I\n0.737417 0.411709 0.061356 I\n0.762584 0.911709 0.438644 I\n0.262584 0.588290 0.938644 I\n",
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{
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"structure_string": "Ba4 In1 Pb1\n1.0\n-0.000000 5.047763 5.047763\n5.047763 -0.000000 5.047763\n5.047763 5.047763 0.000000\nBa In Pb\n4 1 1\ndirect\n0.123656 0.625448 0.625448 Ba\n0.625448 0.625448 0.625448 Ba\n0.625448 0.123656 0.625448 Ba\n0.625448 0.625448 0.123656 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Pb\n",
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{
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"created_at": "2022-09-04T14:38:33.059011Z",
"updated_at": "2022-09-04T14:38:33.059045Z",
"structure_string": "Ti2\n1.0\n2.920565 -0.000000 0.000000\n-1.460282 2.529283 0.000000\n0.000000 0.000000 4.625412\nTi\n2\ndirect\n0.333334 0.666666 0.250000 Ti\n0.666668 0.333333 0.750000 Ti\n",
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"formula_full": "Ti2",
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{
"id": "jvasp-14732",
"created_at": "2022-09-04T14:36:51.555983Z",
"updated_at": "2022-09-04T14:36:51.556006Z",
"structure_string": "Ti2\n1.0\n1.460282 -2.529283 0.000000\n1.460282 2.529283 -0.000000\n-0.000000 0.000000 4.625413\nTi\n2\ndirect\n0.333332 0.666666 0.250000 Ti\n0.666666 0.333332 0.750000 Ti\n",
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"spacegroup": 194
},
{
"id": "jvasp-101114",
"created_at": "2022-09-04T14:36:57.190618Z",
"updated_at": "2022-09-04T14:36:57.190646Z",
"structure_string": "Sr2 Zn5 Si3\n1.0\n4.281824 0.000000 0.000000\n0.000000 4.281824 0.000000\n-0.000000 -0.000000 10.659929\nSr Zn Si\n2 5 3\ndirect\n0.000000 0.000000 0.995942 Sr\n0.500000 0.500000 0.503521 Sr\n-0.000000 0.500000 0.252463 Zn\n0.500000 0.000000 0.748232 Zn\n0.500000 0.000000 0.252463 Zn\n-0.000000 0.500000 0.748232 Zn\n0.500000 0.500000 0.115280 Zn\n0.000000 0.000000 0.614606 Si\n0.000000 0.000000 0.387562 Si\n0.500000 0.500000 0.881700 Si\n",
"nsites": 10,
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"elements": [
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"volume": 195.43931702077373,
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"formula_full": "Sr2 Zn5 Si3",
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{
"id": "jvasp-38243",
"created_at": "2022-09-04T14:37:46.246420Z",
"updated_at": "2022-09-04T14:37:46.246444Z",
"structure_string": "Rb3 Mg1\n1.0\n5.171905 0.000000 0.000000\n2.585953 -3.508808 7.038624\n0.000000 -7.017620 0.000000\nRb Mg\n3 1\ndirect\n0.467910 0.064177 0.384565 Rb\n0.250001 0.500000 0.666481 Rb\n0.032089 0.935821 0.948745 Rb\n0.750000 0.500000 0.166878 Mg\n",
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"volume": 255.46308513892666,
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"spacegroup": 71
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{
"id": "jvasp-11333",
"created_at": "2022-09-04T14:37:13.463053Z",
"updated_at": "2022-09-04T14:37:13.463074Z",
"structure_string": "Mn2 Zn2 F10\n1.0\n5.132387 -0.026581 -0.034404\n-1.847515 5.095459 -0.076398\n-2.164922 -2.305402 6.904179\nMn Zn F\n2 2 10\ndirect\n0.997014 -0.000607 -0.000814 Mn\n0.496996 -0.000619 0.499175 Mn\n0.791300 0.518250 0.259274 Zn\n0.202698 0.480515 0.739084 Zn\n0.885317 0.165092 0.768657 F\n0.108641 0.833665 0.229678 F\n0.338222 0.215685 0.615690 F\n0.001103 0.713256 0.824718 F\n0.595426 0.759211 0.953407 F\n0.260308 0.693648 0.549230 F\n0.398570 0.239585 0.044922 F\n0.733622 0.305113 0.449099 F\n0.992899 0.285520 0.173647 F\n0.655763 0.783082 0.382655 F\n",
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"volume": 178.78370912903537,
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"formula_full": "Mn2 Zn2 F10",
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{
"id": "jvasp-90594",
"created_at": "2022-09-04T14:35:51.302593Z",
"updated_at": "2022-09-04T14:35:51.302624Z",
"structure_string": "Mg2 Ga6\n1.0\n5.905688 0.000000 0.000000\n-2.952843 5.114475 -0.000000\n0.000000 0.000000 5.022177\nMg Ga\n2 6\ndirect\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666666 0.250000 Mg\n0.164030 0.835969 0.750000 Ga\n0.671941 0.835969 0.750000 Ga\n0.164030 0.328059 0.750000 Ga\n0.835970 0.164030 0.250000 Ga\n0.835970 0.671940 0.250000 Ga\n0.328059 0.164030 0.250000 Ga\n",
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"volume": 151.69231322431676,
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"formula_full": "Mg2 Ga6",
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"spacegroup": 194
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{
"id": "jvasp-46041",
"created_at": "2022-09-04T14:38:12.155923Z",
"updated_at": "2022-09-04T14:38:12.155950Z",
"structure_string": "Sr8 Br12 O2\n1.0\n9.631297 -0.000000 -0.000000\n-0.000000 9.631297 -0.000000\n0.000000 0.000000 7.246558\nSr Br O\n8 12 2\ndirect\n0.500000 0.732282 0.845766 Sr\n0.232282 0.000000 0.345766 Sr\n0.767719 0.000000 0.345766 Sr\n0.500000 0.267719 0.845766 Sr\n0.000000 0.232282 0.654234 Sr\n0.732282 0.500000 0.154234 Sr\n0.267719 0.500000 0.154234 Sr\n0.000000 0.767719 0.654234 Sr\n0.701115 0.701115 0.500000 Br\n0.298885 0.701115 0.500000 Br\n0.000000 0.500000 0.878768 Br\n0.000000 0.500000 0.378768 Br\n0.701115 0.298885 0.500000 Br\n0.298885 0.298885 0.500000 Br\n0.500000 0.000000 0.121232 Br\n0.798885 0.201115 0.000000 Br\n0.500000 0.000000 0.621233 Br\n0.798885 0.798885 0.000000 Br\n0.201115 0.798885 0.000000 Br\n0.201115 0.201115 0.000000 Br\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 22,
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"elements": [
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"formula_full": "Sr8 Br12 O2",
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"formula_anonymous": "AB4C6",
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{
"id": "jvasp-43418",
"created_at": "2022-09-04T14:38:10.926103Z",
"updated_at": "2022-09-04T14:38:10.926127Z",
"structure_string": "K16 O8\n1.0\n6.363450 -0.000000 0.000000\n0.000000 6.575013 0.000000\n0.000000 0.000000 12.773143\nK O\n16 8\ndirect\n0.999459 0.261123 0.020874 K\n0.000541 0.738876 0.979125 K\n0.500541 0.761123 0.979125 K\n0.143729 0.119511 0.795893 K\n0.643729 0.380489 0.795893 K\n0.643729 0.880489 0.704107 K\n0.000541 0.238877 0.520874 K\n0.500541 0.261123 0.520874 K\n0.143729 0.619511 0.704107 K\n0.999459 0.761123 0.479126 K\n0.856271 0.380489 0.295893 K\n0.356271 0.119511 0.295893 K\n0.356271 0.619511 0.204107 K\n0.856271 0.880489 0.204107 K\n0.499459 0.238877 0.020874 K\n0.499459 0.738876 0.479126 K\n0.264781 0.471169 0.885066 O\n0.235219 0.971168 0.114934 O\n0.735219 0.528831 0.114934 O\n0.735219 0.028831 0.385066 O\n0.235219 0.471169 0.385066 O\n0.264781 0.971168 0.614934 O\n0.764781 0.528831 0.614934 O\n0.764781 0.028831 0.885066 O\n",
"nsites": 24,
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"elements": [
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],
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},
{
"id": "jvasp-38230",
"created_at": "2022-09-04T14:37:53.426603Z",
"updated_at": "2022-09-04T14:37:53.426613Z",
"structure_string": "Rb3 Mg1\n1.0\n-3.229838 3.229838 5.835234\n3.229838 -3.229838 5.835234\n3.229838 3.229838 -5.835234\nRb Mg\n3 1\ndirect\n0.499999 0.499999 0.000000 Rb\n0.750001 0.250001 0.500001 Rb\n0.250001 0.750001 0.500001 Rb\n0.000000 0.000000 0.000000 Mg\n",
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},
{
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"created_at": "2022-09-04T14:37:28.890207Z",
"updated_at": "2022-09-04T14:37:28.890235Z",
"structure_string": "Li4 Ag4 F12\n1.0\n6.678920 0.057062 -0.068354\n-0.269782 6.673712 0.068354\n-0.259402 0.247005 5.946871\nLi Ag F\n4 4 12\ndirect\n0.096892 0.730614 0.306517 Li\n0.269386 0.903109 0.806517 Li\n0.730615 0.096891 0.193483 Li\n0.903109 0.269386 0.693483 Li\n0.211025 0.211024 0.250000 Ag\n0.409593 0.409593 0.750000 Ag\n0.590408 0.590408 0.250000 Ag\n0.788976 0.788976 0.750000 Ag\n0.802467 0.074471 0.895328 F\n0.707998 0.475581 0.664870 F\n0.619514 0.876026 0.354054 F\n0.524420 0.292002 0.164870 F\n0.475581 0.707998 0.835130 F\n0.123975 0.380486 0.854054 F\n0.292003 0.524419 0.335130 F\n0.197533 0.925529 0.104672 F\n0.876026 0.619514 0.145946 F\n0.074471 0.802467 0.604672 F\n0.380486 0.123975 0.645946 F\n0.925530 0.197533 0.395328 F\n",
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}