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{
"id": "jvasp-45077",
"created_at": "2022-09-04T14:38:07.801419Z",
"updated_at": "2022-09-04T14:38:07.801449Z",
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{
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{
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"structure_string": "Mg2 Ti2 O6\n1.0\n4.509343 -0.002424 3.155423\n1.641928 4.199791 3.155423\n-0.003552 -0.002424 5.503712\nMg Ti O\n2 2 6\ndirect\n0.354618 0.354619 0.354618 Mg\n0.645381 0.645383 0.645380 Mg\n0.143758 0.143758 0.143758 Ti\n0.856242 0.856243 0.856240 Ti\n0.048795 0.772856 0.437609 O\n0.772855 0.437610 0.048794 O\n0.437609 0.048796 0.772855 O\n0.951205 0.227146 0.562389 O\n0.562390 0.951206 0.227143 O\n0.227145 0.562391 0.951204 O\n",
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{
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"updated_at": "2022-09-04T14:36:13.206278Z",
"structure_string": "Na1 Al6 Fe3 Si6 B3 O30 F1\n1.0\n8.658763 -0.001096 -3.824421\n-5.869706 6.365589 -3.824421\n-0.000481 -0.001096 9.465748\nNa Al Fe Si B O F\n1 6 3 6 3 30 1\ndirect\n0.237256 0.237256 0.237257 Na\n0.894931 0.558935 0.342442 Al\n0.894931 0.342442 0.558935 Al\n0.342442 0.894932 0.558936 Al\n0.558935 0.342442 0.894932 Al\n0.342442 0.558935 0.894932 Al\n0.558935 0.894932 0.342443 Al\n0.562885 0.562885 0.758918 Fe\n0.562885 0.758918 0.562885 Fe\n0.758917 0.562885 0.562885 Fe\n0.998028 0.191321 0.808710 Si\n0.191321 0.998028 0.808710 Si\n0.808709 0.191321 0.998028 Si\n0.998028 0.808710 0.191321 Si\n0.191321 0.808710 0.998029 Si\n0.808709 0.998028 0.191322 Si\n0.562215 0.562215 0.232342 B\n0.562215 0.232341 0.562215 B\n0.232341 0.562215 0.562215 B\n0.764987 0.964067 0.586704 O\n0.642449 0.164008 0.493712 O\n0.164008 0.493712 0.642450 O\n0.493712 0.642449 0.164008 O\n0.493712 0.164008 0.642449 O\n0.164008 0.642449 0.493713 O\n0.642449 0.493712 0.164008 O\n0.361342 0.786159 0.069260 O\n0.786159 0.069259 0.361343 O\n0.069259 0.361342 0.786159 O\n0.069259 0.786159 0.361343 O\n0.786159 0.361342 0.069259 O\n0.361342 0.069259 0.786159 O\n0.586703 0.764987 0.964068 O\n0.391391 0.775783 0.391392 O\n0.998336 0.998337 0.264837 O\n0.998336 0.264836 0.998337 O\n0.264836 0.998337 0.998337 O\n0.174990 0.884951 0.174990 O\n0.884950 0.174990 0.174990 O\n0.174990 0.174990 0.884951 O\n0.391391 0.391391 0.775783 O\n0.964067 0.586704 0.764987 O\n0.775782 0.391391 0.391392 O\n0.554412 0.374087 0.554413 O\n0.374087 0.554413 0.554413 O\n0.554412 0.554413 0.374087 O\n0.586703 0.964067 0.764988 O\n0.764987 0.586704 0.964068 O\n0.964067 0.764987 0.586704 O\n0.774298 0.774298 0.774299 F\n",
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{
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"created_at": "2022-09-04T14:36:18.215868Z",
"updated_at": "2022-09-04T14:36:18.215898Z",
"structure_string": "Cu2 O4\n1.0\n2.955786 0.050816 0.574166\n-1.496921 3.034224 -0.469847\n1.662348 -0.533542 7.276154\nCu O\n2 4\ndirect\n0.062894 0.133230 0.837388 Cu\n0.064281 0.911781 0.225467 Cu\n0.361623 0.747896 0.845463 O\n0.326711 0.814237 0.414341 O\n0.824706 0.232226 0.125408 O\n0.358697 0.162496 0.556670 O\n",
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{
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"created_at": "2022-09-04T14:38:38.484035Z",
"updated_at": "2022-09-04T14:38:38.484057Z",
"structure_string": "Ti1 Nb1 N2\n1.0\n3.093187 0.000000 0.000000\n0.000000 3.093187 0.000000\n-0.000000 0.000000 4.360827\nTi Nb N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500001 0.500000 Nb\n0.000000 0.000000 0.500000 N\n0.500001 0.500001 0.000000 N\n",
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},
{
"id": "jvasp-44010",
"created_at": "2022-09-04T14:36:03.926082Z",
"updated_at": "2022-09-04T14:36:03.926106Z",
"structure_string": "Fe6 O7 F5\n1.0\n5.481296 -0.020714 0.048144\n1.843838 5.157143 0.037573\n2.594326 1.818312 6.663251\nFe O F\n6 7 5\ndirect\n0.317081 0.326290 0.145117 Fe\n0.650576 0.664007 0.345672 Fe\n0.372972 0.322855 0.680592 Fe\n0.644667 0.659798 0.832131 Fe\n0.005620 0.017894 0.493742 Fe\n-0.000381 0.015496 0.001152 Fe\n0.682435 0.307584 0.001967 O\n0.303220 0.692297 -0.001129 O\n0.969109 0.363294 0.328208 O\n0.575263 0.573126 0.639113 O\n0.230583 0.236203 0.965939 O\n0.356441 0.977714 0.330180 O\n0.656831 0.016014 0.668176 O\n0.420328 0.430086 0.372265 F\n0.036642 0.634679 0.667570 F\n0.112479 0.105771 0.696468 F\n0.764005 0.763609 0.030292 F\n0.902146 0.893288 0.302534 F\n",
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{
"id": "jvasp-11708",
"created_at": "2022-09-04T14:37:36.723693Z",
"updated_at": "2022-09-04T14:37:36.723731Z",
"structure_string": "Cr2 P2 O8\n1.0\n4.691206 -0.000941 -0.000000\n-1.805591 4.329811 0.000000\n-0.000000 0.000000 6.162496\nCr P O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.649962 0.350039 0.250000 P\n0.350039 0.649961 0.750000 P\n0.224751 0.282695 0.750000 O\n0.775250 0.717305 0.250000 O\n0.282695 0.224751 0.250000 O\n0.717306 0.775249 0.750000 O\n0.246350 0.753650 0.957898 O\n0.753651 0.246350 0.457897 O\n0.753651 0.246350 0.042103 O\n0.246350 0.753650 0.542103 O\n",
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"formula_full": "Cr2 P2 O8",
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},
{
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"updated_at": "2022-09-04T14:36:55.158660Z",
"structure_string": "Li2 Fe2 P2 O8\n1.0\n-2.833116 4.628459 0.000000\n2.833116 0.000000 5.567487\n2.833116 4.628459 0.000000\nLi Fe P O\n2 2 2 8\ndirect\n0.436844 0.250000 0.436844 Li\n0.186844 0.750000 0.186844 Li\n0.808166 0.250000 0.808166 Fe\n0.558166 0.750000 0.558166 Fe\n0.129527 0.250000 0.129527 P\n0.879527 0.750000 0.879528 P\n0.798754 0.090685 0.245573 O\n0.322270 0.103926 0.133866 O\n0.737793 0.603926 0.218344 O\n0.836259 0.590686 0.708070 O\n0.133866 0.396074 0.322270 O\n0.245573 0.409315 0.798755 O\n0.708069 0.909315 0.836259 O\n0.218343 0.896074 0.737794 O\n",
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{
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],
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{
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"updated_at": "2022-09-04T14:36:06.120508Z",
"structure_string": "Be2 V1 Cr1\n1.0\n-1.674456 1.674456 3.719596\n1.674456 -1.674456 3.719596\n1.674456 1.674456 -3.719596\nBe V Cr\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 V\n0.500001 0.500001 0.000000 Cr\n",
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{
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"created_at": "2022-09-04T14:38:07.197767Z",
"updated_at": "2022-09-04T14:38:07.197791Z",
"structure_string": "Ti1 Mn1 H12 O6 F6\n1.0\n-4.887412 2.821750 3.276923\n-0.000000 -5.643497 3.276923\n4.887413 2.821748 3.276923\nTi Mn H O F\n1 1 12 6 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Mn\n0.217369 0.780050 0.723768 H\n0.723768 0.217368 0.780051 H\n0.975820 0.708834 0.647431 H\n0.647431 0.975821 0.708834 H\n0.352568 0.024177 0.291165 H\n0.219948 0.276229 0.782632 H\n0.276230 0.782632 0.219948 H\n0.780050 0.723770 0.217367 H\n0.782629 0.219949 0.276230 H\n0.291165 0.352567 0.024178 H\n0.708832 0.647431 0.975822 H\n0.024178 0.291165 0.352567 H\n0.233883 0.229076 0.921135 O\n0.078864 0.766118 0.770924 O\n0.770924 0.078863 0.766119 O\n0.229075 0.921137 0.233881 O\n0.766118 0.770924 0.078863 O\n0.921136 0.233882 0.229076 O\n0.450495 0.766470 0.621802 F\n0.378197 0.549504 0.233529 F\n0.549504 0.233530 0.378196 F\n0.766470 0.621802 0.450494 F\n0.233529 0.378196 0.549504 F\n0.621802 0.450495 0.766470 F\n",
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}