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{
"id": "jvasp-10339",
"created_at": "2022-09-04T14:37:28.654431Z",
"updated_at": "2022-09-04T14:37:28.654452Z",
"structure_string": "Zn2 Mo4 O10\n1.0\n3.729885 -0.000000 0.000000\n-1.864942 5.348269 -0.000000\n-0.000000 -0.000000 11.293585\nZn Mo O\n2 4 10\ndirect\n0.889625 0.779245 0.750000 Zn\n0.110378 0.220756 0.250000 Zn\n0.188054 0.376107 0.600741 Mo\n0.811948 0.623894 0.399258 Mo\n0.811948 0.623894 0.100742 Mo\n0.188054 0.376107 0.899259 Mo\n0.694232 0.388464 0.250000 O\n0.305770 0.611537 0.750000 O\n0.239691 0.479379 0.075778 O\n0.760313 0.520622 0.924221 O\n0.760313 0.520622 0.575778 O\n0.239691 0.479379 0.424221 O\n0.027942 0.055883 0.625817 O\n0.972060 0.944117 0.374182 O\n0.027942 0.055883 0.874182 O\n0.972060 0.944117 0.125818 O\n",
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{
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"structure_string": "Na4 Fe4 O8\n1.0\n5.385458 0.000000 0.000000\n0.000000 5.737595 0.000000\n0.000000 0.000000 7.199606\nNa Fe O\n4 4 8\ndirect\n0.487573 0.924139 0.378242 Na\n0.987573 0.075860 0.621758 Na\n0.987573 0.575860 0.878242 Na\n0.487573 0.424139 0.121758 Na\n-0.000441 0.568671 0.373498 Fe\n0.499559 0.431328 0.626503 Fe\n0.499559 0.931328 0.873498 Fe\n-0.000441 0.068672 0.126503 Fe\n0.918086 0.890340 0.341296 O\n0.418086 0.109659 0.658705 O\n0.418086 0.609659 0.841296 O\n0.918086 0.390340 0.158705 O\n0.349784 0.545694 0.406897 O\n0.849784 0.454305 0.593104 O\n0.849784 0.954304 0.906897 O\n0.349784 0.045695 0.093103 O\n",
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{
"id": "jvasp-11203",
"created_at": "2022-09-04T14:37:16.010512Z",
"updated_at": "2022-09-04T14:37:16.010542Z",
"structure_string": "K10 P4 Au2\n1.0\n2.808678 -4.864773 -0.000000\n2.808678 4.864773 0.000000\n-0.000000 0.000000 18.755308\nK P Au\n10 4 2\ndirect\n0.000000 0.000000 0.853854 K\n0.000000 0.000000 0.646146 K\n0.333334 0.666667 0.750000 K\n0.000000 0.000000 0.353854 K\n0.333334 0.666667 0.549150 K\n0.666667 0.333334 0.250000 K\n0.666667 0.333334 0.450850 K\n0.666667 0.333334 0.049150 K\n0.333334 0.666667 0.950850 K\n0.000000 0.000000 0.146146 K\n0.333334 0.666667 0.121221 P\n0.666667 0.333334 0.621221 P\n0.666667 0.333334 0.878779 P\n0.333334 0.666667 0.378779 P\n0.666667 0.333334 0.750000 Au\n0.333334 0.666667 0.250000 Au\n",
"nsites": 16,
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{
"id": "jvasp-9743",
"created_at": "2022-09-04T14:37:10.335938Z",
"updated_at": "2022-09-04T14:37:10.335959Z",
"structure_string": "Li4 Ga4 O8\n1.0\n5.055041 0.000000 0.000000\n0.000000 5.437708 0.000000\n0.000000 0.000000 6.377238\nLi Ga O\n4 4 8\ndirect\n0.000789 0.581967 0.875495 Li\n0.500789 0.918034 0.375495 Li\n0.000789 0.081967 0.624505 Li\n0.500789 0.418034 0.124505 Li\n0.004443 0.583952 0.374088 Ga\n0.504443 0.416049 0.625913 Ga\n0.504443 0.916049 0.874088 Ga\n0.004443 0.083951 0.125913 Ga\n0.375788 0.072003 0.115206 O\n0.375788 0.572003 0.384794 O\n0.875788 0.927997 0.884794 O\n0.875788 0.427997 0.615206 O\n0.892180 0.410985 0.135160 O\n0.392180 0.589016 0.864841 O\n0.392180 0.089016 0.635160 O\n0.892180 0.910985 0.364840 O\n",
"nsites": 16,
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{
"id": "jvasp-9291",
"created_at": "2022-09-04T14:37:28.507186Z",
"updated_at": "2022-09-04T14:37:28.507210Z",
"structure_string": "Ca4 Cu4 O8\n1.0\n3.862080 0.055655 -0.070601\n-0.615029 6.931492 0.452063\n-1.602343 -1.648001 7.364589\nCa Cu O\n4 4 8\ndirect\n0.894351 0.134798 0.306632 Ca\n0.085414 0.842563 0.701515 Ca\n0.766813 0.714928 0.024973 Ca\n0.212935 0.262446 -0.016829 Ca\n0.602852 0.151957 0.650821 Cu\n0.287224 0.452212 0.639204 Cu\n0.692581 0.525150 0.368951 Cu\n0.376980 0.825414 0.357325 Cu\n0.875197 0.800356 0.351883 O\n0.792960 0.397917 0.147479 O\n0.186798 0.579443 0.860666 O\n0.104616 0.177008 0.656264 O\n0.683679 0.012682 0.851092 O\n0.486693 0.299306 0.452258 O\n0.296106 0.964683 0.157056 O\n0.493088 0.678059 0.555889 O\n",
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"volume": 199.38319956749584,
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{
"id": "jvasp-9793",
"created_at": "2022-09-04T14:37:16.089657Z",
"updated_at": "2022-09-04T14:37:16.089677Z",
"structure_string": "Cd2 Cu4 Si2 S8\n1.0\n6.298310 0.000000 0.000000\n0.000000 6.495611 0.000000\n0.000000 0.000000 7.656219\nCd Cu Si S\n2 4 2 8\ndirect\n0.126991 0.652239 0.000000 Cd\n0.626991 0.347761 0.500000 Cd\n0.130512 0.175780 0.748353 Cu\n0.630512 0.824220 0.751647 Cu\n0.130512 0.175780 0.251647 Cu\n0.630512 0.824220 0.248353 Cu\n0.122914 0.680507 0.500000 Si\n0.622914 0.319493 0.000000 Si\n0.032688 0.359357 0.500000 S\n0.464907 0.707922 0.500000 S\n0.964907 0.292078 0.000000 S\n0.495738 0.159492 0.224194 S\n0.495738 0.159492 0.775806 S\n0.995738 0.840508 0.724194 S\n0.532689 0.640643 0.000000 S\n0.995738 0.840508 0.275806 S\n",
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"density_atomic": 0.05108125912711227,
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"formula_full": "Cd2 Cu4 Si2 S8",
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{
"id": "jvasp-11600",
"created_at": "2022-09-04T14:37:16.271218Z",
"updated_at": "2022-09-04T14:37:16.271243Z",
"structure_string": "Y4 Cu4 S8\n1.0\n3.961765 -0.000000 0.000000\n-0.000000 6.271589 0.000000\n0.000000 0.000000 13.428283\nY Cu S\n4 4 8\ndirect\n0.250000 0.499333 0.133763 Y\n0.750001 0.500667 0.866237 Y\n0.750001 -0.000667 0.366237 Y\n0.250000 0.000667 0.633763 Y\n0.250000 0.121808 0.953263 Cu\n0.750001 0.621808 0.546737 Cu\n0.750001 0.878192 0.046737 Cu\n0.250000 0.378192 0.453263 Cu\n0.250000 0.261269 0.794470 S\n0.750001 0.738731 0.205530 S\n0.750001 0.761269 0.705530 S\n0.250000 0.238731 0.294470 S\n0.250000 0.744656 0.960002 S\n0.250000 0.755344 0.460002 S\n0.750001 0.244656 0.539998 S\n0.750001 0.255344 0.039998 S\n",
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},
{
"id": "jvasp-34927",
"created_at": "2022-09-04T14:37:28.457669Z",
"updated_at": "2022-09-04T14:37:28.457691Z",
"structure_string": "Ba10 Bi6\n1.0\n5.130184 -8.885740 -0.000000\n5.130184 8.885740 0.000000\n0.000000 -0.000000 7.850397\nBa Bi\n10 6\ndirect\n0.333333 0.666667 0.000000 Ba\n0.666667 0.333333 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.500000 Ba\n-0.000000 0.254870 0.750000 Ba\n0.254870 0.254870 0.250000 Ba\n0.745130 -0.000000 0.250000 Ba\n0.254870 -0.000000 0.750000 Ba\n0.745129 0.745129 0.750000 Ba\n-0.000000 0.745130 0.250000 Ba\n-0.000000 0.609658 0.750000 Bi\n0.609657 0.609657 0.250000 Bi\n0.390342 -0.000000 0.250000 Bi\n0.609658 -0.000000 0.750000 Bi\n0.390342 0.390342 0.750000 Bi\n-0.000000 0.390342 0.250000 Bi\n",
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{
"id": "jvasp-34169",
"created_at": "2022-09-04T14:37:28.445358Z",
"updated_at": "2022-09-04T14:37:28.445386Z",
"structure_string": "Er10 Bi2 Pt4\n1.0\n6.957132 0.000000 -3.435780\n-1.696760 6.747051 -3.435780\n-0.042054 -0.053939 8.676504\nEr Bi Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 -0.000000 Er\n0.290727 0.790726 0.272889 Er\n0.482162 0.290726 0.272889 Er\n0.790726 0.982162 0.272889 Er\n0.517838 0.709273 0.727111 Er\n0.209274 0.017838 0.727111 Er\n0.017838 0.517838 0.727111 Er\n0.709274 0.209273 0.727111 Er\n0.982162 0.482162 0.272889 Er\n0.250000 0.250000 0.500000 Bi\n0.750000 0.750000 0.500000 Bi\n0.358870 0.858870 -0.000000 Pt\n0.141130 0.358870 -0.000000 Pt\n0.858870 0.641130 -0.000000 Pt\n0.641129 0.141130 -0.000000 Pt\n",
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{
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"created_at": "2022-09-04T14:37:10.993520Z",
"updated_at": "2022-09-04T14:37:10.993540Z",
"structure_string": "Mn4 Si4 N8\n1.0\n5.119467 0.000000 0.000000\n0.000000 5.318689 0.000000\n0.000000 0.000000 6.521851\nMn Si N\n4 4 8\ndirect\n0.001691 0.579833 0.875981 Mn\n0.501691 0.420167 0.124019 Mn\n0.501691 0.920168 0.375981 Mn\n0.001691 0.079833 0.624018 Mn\n0.006581 0.068751 0.125228 Si\n0.506581 0.431249 0.625228 Si\n0.506581 0.931249 0.874772 Si\n0.006581 0.568751 0.374772 Si\n0.347971 0.549096 0.407095 N\n0.847972 0.450904 0.592904 N\n0.847972 0.950904 0.907095 N\n0.347971 0.049096 0.092904 N\n0.417757 0.612668 0.841679 N\n0.417757 0.112668 0.658321 N\n0.917758 0.887332 0.341679 N\n0.917758 0.387332 0.158321 N\n",
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{
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"created_at": "2022-09-04T14:37:10.998930Z",
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"structure_string": "Ag8 O8\n1.0\n5.920054 -0.083580 -3.227995\n-3.811886 5.553172 -0.285296\n-0.058471 0.084866 6.741022\nAg O\n8 8\ndirect\n0.500000 0.000000 0.499999 Ag\n0.500000 0.000000 -0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n-0.000000 0.500000 0.499999 Ag\n0.499999 0.500000 -0.000001 Ag\n0.499999 0.500000 0.499999 Ag\n-0.000000 0.500000 -0.000001 Ag\n0.000000 0.000000 0.000000 Ag\n0.589822 0.296530 0.873979 O\n0.577526 0.373887 0.284295 O\n0.922470 0.206762 0.796353 O\n0.910220 0.784148 0.706734 O\n0.410177 0.703470 0.126018 O\n0.422473 0.626113 0.715703 O\n0.077529 0.793239 0.203645 O\n0.089779 0.215852 0.293264 O\n",
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{
"id": "jvasp-54355",
"created_at": "2022-09-04T14:37:30.496126Z",
"updated_at": "2022-09-04T14:37:30.496156Z",
"structure_string": "In12 Ru4\n1.0\n7.084730 0.000017 0.000877\n-0.000248 7.084741 0.001255\n-0.000722 -0.000910 7.357878\nIn Ru\n12 4\ndirect\n0.844631 0.844674 0.737424 In\n0.655401 0.344630 0.237379 In\n0.844625 0.844626 0.262608 In\n0.155341 0.155366 0.262583 In\n0.655360 0.344612 0.762605 In\n0.000017 0.500023 -0.000008 In\n0.499955 0.999975 0.000012 In\n0.344642 0.655323 0.237434 In\n0.344659 0.655361 0.762579 In\n0.155384 0.155373 0.737388 In\n-0.000024 0.500014 0.500042 In\n0.499993 0.000027 0.499964 In\n0.344498 0.344496 -0.000002 Ru\n0.155508 0.844502 0.500000 Ru\n0.844500 0.155501 0.499999 Ru\n0.655509 0.655495 0.000001 Ru\n",
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]
}