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{
"id": "jvasp-10355",
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"structure_string": "Cu3 Ni4 O12\n1.0\n5.827678 0.000008 -2.060521\n-2.913781 5.046946 -2.060370\n-0.000132 -0.000045 6.181186\nCu Ni O\n3 4 12\ndirect\n0.500000 0.500000 0.000001 Cu\n0.999999 0.499999 0.500002 Cu\n0.500000 0.000002 0.500002 Cu\n0.999999 -0.000001 0.500002 Ni\n-0.000000 0.500001 0.000003 Ni\n0.499999 0.500001 0.500002 Ni\n0.499999 -0.000001 0.000001 Ni\n0.682814 0.497834 0.815020 O\n0.184975 0.317162 0.502131 O\n0.497912 0.815056 0.682862 O\n0.682829 0.867799 0.184978 O\n0.132197 0.815004 0.317195 O\n0.815021 0.682835 0.497865 O\n0.317184 0.502163 0.184981 O\n0.867804 0.185003 0.682801 O\n0.184996 0.682821 0.867812 O\n0.815007 0.317177 0.132191 O\n0.502095 0.184948 0.317143 O\n0.317177 0.132199 0.815017 O\n",
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{
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"structure_string": "Ti4 Cu3 O12\n1.0\n6.022723 -0.000000 -2.129354\n-3.011362 5.215832 -2.129354\n0.000000 -0.000000 6.388063\nTi Cu O\n4 3 12\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000001 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.684677 0.507441 0.822763 O\n0.177237 0.315323 0.492559 O\n0.507441 0.822763 0.684677 O\n0.684677 0.861914 0.177238 O\n0.138086 0.822763 0.315323 O\n0.822763 0.684677 0.507442 O\n0.315323 0.492559 0.177237 O\n0.861914 0.177237 0.684677 O\n0.177237 0.684677 0.861914 O\n0.822763 0.315323 0.138087 O\n0.492559 0.177237 0.315323 O\n0.315323 0.138086 0.822763 O\n",
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{
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"created_at": "2022-09-04T14:37:09.161901Z",
"updated_at": "2022-09-04T14:37:09.161920Z",
"structure_string": "Th1 Fe4 P12\n1.0\n6.413911 0.000000 -2.267660\n-3.206955 5.554610 -2.267660\n0.000000 0.000000 6.802980\nTh Fe P\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Th\n0.000000 0.500000 0.000000 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.649327 0.497179 0.847851 P\n0.847851 0.350674 0.198525 P\n0.649327 0.801475 0.152149 P\n0.497179 0.847851 0.649327 P\n0.152149 0.649326 0.801475 P\n0.502822 0.152149 0.350674 P\n0.350674 0.502821 0.152149 P\n0.152149 0.350674 0.502822 P\n0.801475 0.152149 0.649326 P\n0.198525 0.847851 0.350674 P\n0.350674 0.198525 0.847851 P\n0.847852 0.649326 0.497179 P\n",
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{
"id": "jvasp-45521",
"created_at": "2022-09-04T14:37:10.103157Z",
"updated_at": "2022-09-04T14:37:10.103170Z",
"structure_string": "Ca1 Ti4 Fe3 O12\n1.0\n6.117563 -0.000000 -2.162884\n-3.058782 5.297963 -2.162884\n0.000000 0.000000 6.488655\nCa Ti Fe O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Ca\n-0.000000 -0.000000 0.500001 Ti\n-0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500001 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000001 Fe\n-0.000000 0.500000 0.500000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.182651 0.698107 0.880762 O\n0.484546 0.182652 0.301894 O\n0.698106 0.880759 0.182652 O\n0.817347 0.301892 0.119241 O\n0.698107 0.515454 0.817349 O\n0.119241 0.817348 0.301894 O\n0.182651 0.301892 0.484546 O\n0.880759 0.182652 0.698108 O\n0.817348 0.698107 0.515457 O\n0.515454 0.817348 0.698107 O\n0.301894 0.484545 0.182653 O\n0.301894 0.119240 0.817350 O\n",
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{
"id": "jvasp-10462",
"created_at": "2022-09-04T14:37:10.675016Z",
"updated_at": "2022-09-04T14:37:10.675045Z",
"structure_string": "Ce1 P12 Ru4\n1.0\n6.635795 0.000000 -2.346108\n-3.317898 5.746767 -2.346108\n-0.000000 -0.000000 7.038324\nCe P Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.644914 0.501301 0.856387 P\n0.856388 0.355086 0.211473 P\n0.644914 0.788527 0.143613 P\n0.355086 0.211474 0.856387 P\n0.143613 0.644914 0.788526 P\n0.501301 0.856388 0.644913 P\n0.355086 0.498699 0.143613 P\n0.143613 0.355086 0.498699 P\n0.788527 0.143613 0.644913 P\n0.211474 0.856388 0.355086 P\n0.498699 0.143613 0.355086 P\n0.856388 0.644914 0.501301 P\n0.500000 0.500000 0.500000 Ru\n0.500000 -0.000000 -0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n-0.000000 0.500000 -0.000000 Ru\n",
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"volume": 268.4020355820389,
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{
"id": "jvasp-11150",
"created_at": "2022-09-04T14:37:11.117245Z",
"updated_at": "2022-09-04T14:37:11.117259Z",
"structure_string": "P12 Ir4\n1.0\n6.627006 -0.000000 -2.343000\n-3.313503 5.739155 -2.343000\n-0.000000 -0.000000 7.029001\nP Ir\n12 4\ndirect\n0.506870 0.860773 0.646097 P\n0.214677 0.860773 0.353904 P\n0.785324 0.139228 0.646096 P\n0.139228 0.353904 0.493131 P\n0.493132 0.139228 0.353904 P\n0.139228 0.646097 0.785324 P\n0.353904 0.214677 0.860773 P\n0.860774 0.646097 0.506869 P\n0.646097 0.785324 0.139228 P\n0.860773 0.353904 0.214677 P\n0.646097 0.506869 0.860773 P\n0.353905 0.493132 0.139228 P\n0.500000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.500001 0.500000 0.500000 Ir\n",
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},
{
"id": "jvasp-10943",
"created_at": "2022-09-04T14:37:13.509236Z",
"updated_at": "2022-09-04T14:37:13.509262Z",
"structure_string": "Mn4 Cu3 O12\n1.0\n5.829910 0.000013 -2.061197\n-2.914940 5.048807 -2.061170\n-0.000013 0.000012 6.183553\nMn Cu O\n4 3 12\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500001 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500001 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.183712 0.689938 0.873650 O\n0.493740 0.183693 0.310041 O\n0.689960 0.873655 0.183697 O\n0.816288 0.310062 0.126350 O\n0.689934 0.506219 0.816283 O\n0.873650 0.183709 0.689937 O\n0.183704 0.310053 0.493751 O\n0.816296 0.689947 0.506248 O\n0.126350 0.816292 0.310063 O\n0.506260 0.816307 0.689958 O\n0.310066 0.493783 0.183717 O\n0.310040 0.126346 0.816303 O\n",
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{
"id": "jvasp-34737",
"created_at": "2022-09-04T14:37:14.065660Z",
"updated_at": "2022-09-04T14:37:14.065679Z",
"structure_string": "N6 O12\n1.0\n6.988493 0.000000 -2.470806\n-3.494247 6.052214 -2.470806\n0.000000 0.000000 7.412416\nN O\n6 12\ndirect\n0.499999 0.893083 0.393082 N\n0.393083 0.500000 0.893083 N\n0.500000 0.106917 0.606917 N\n0.893082 0.393083 0.499999 N\n0.606916 0.500000 0.106916 N\n0.106916 0.606916 0.500000 N\n0.209048 0.370254 0.838795 O\n0.161205 0.531459 0.370254 O\n0.161204 0.790951 0.629745 O\n0.629744 0.838794 0.468539 O\n0.370254 0.161205 0.531460 O\n0.370254 0.838794 0.209048 O\n0.468540 0.629745 0.838794 O\n0.838794 0.468540 0.629745 O\n0.790950 0.629745 0.161204 O\n0.531459 0.370254 0.161204 O\n0.629745 0.161205 0.790951 O\n0.838794 0.209049 0.370254 O\n",
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{
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"created_at": "2022-09-04T14:37:14.604692Z",
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"structure_string": "Ce1 Fe4 P12\n1.0\n6.394718 -0.000000 -2.260874\n-3.197359 5.537989 -2.260874\n-0.000000 -0.000000 6.782623\nCe Fe P\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Ce\n-0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.649869 0.498588 0.848719 P\n0.848719 0.350132 0.198852 P\n0.649869 0.801149 0.151282 P\n0.498588 0.848719 0.649869 P\n0.151281 0.649869 0.801149 P\n0.501413 0.151281 0.350132 P\n0.350132 0.501413 0.151281 P\n0.151281 0.350132 0.501413 P\n0.801149 0.151281 0.649869 P\n0.198852 0.848719 0.350132 P\n0.350132 0.198852 0.848719 P\n0.848719 0.649869 0.498588 P\n",
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{
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"created_at": "2022-09-04T14:37:16.150057Z",
"updated_at": "2022-09-04T14:37:16.150076Z",
"structure_string": "Cu3 Sn4 Pb1 O12\n1.0\n6.753336 -0.002230 0.001847\n-2.249049 6.367857 -0.002984\n-2.253622 -3.180728 5.514561\nCu Sn Pb O\n3 4 1 12\ndirect\n0.000014 0.500018 0.499986 Cu\n0.499974 0.499957 0.000013 Cu\n0.499984 0.000006 0.499984 Cu\n0.999987 0.500016 -0.000006 Sn\n-0.000013 0.999990 0.499978 Sn\n0.500033 0.999987 0.999993 Sn\n0.500039 0.500045 0.500050 Sn\n0.000155 0.000119 0.000052 Pb\n0.312174 0.173185 0.485353 O\n0.173190 0.485369 0.312172 O\n0.826842 0.514638 0.687804 O\n0.687786 0.173189 0.860973 O\n0.514576 0.687750 0.826815 O\n0.312173 0.826839 0.138994 O\n0.138980 0.312135 0.826846 O\n0.485326 0.312145 0.173192 O\n0.860963 0.687758 0.173207 O\n0.687790 0.826824 0.514602 O\n0.826836 0.139028 0.312194 O\n0.173207 0.861008 0.687808 O\n",
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{
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"created_at": "2022-09-04T14:37:16.689438Z",
"updated_at": "2022-09-04T14:37:16.689449Z",
"structure_string": "Ca1 Cu3 Sn4 O12\n1.0\n6.328265 -0.000000 -2.237379\n-3.164132 5.480439 -2.237379\n-0.000000 0.000000 6.712138\nCa Cu Sn O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500001 0.500000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.693104 0.523635 0.830533 O\n0.169468 0.306897 0.476365 O\n0.523636 0.830532 0.693103 O\n0.693104 0.862571 0.169468 O\n0.137430 0.830532 0.306897 O\n0.169468 0.693103 0.862571 O\n0.306898 0.476365 0.169468 O\n0.830533 0.693103 0.523635 O\n0.862571 0.169468 0.693103 O\n0.830533 0.306897 0.137430 O\n0.476366 0.169468 0.306897 O\n0.306897 0.137429 0.830532 O\n",
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{
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"created_at": "2022-09-04T14:37:20.138730Z",
"updated_at": "2022-09-04T14:37:20.138757Z",
"structure_string": "Cr4 Cu3 O12\n1.0\n5.838983 -0.000053 -2.065728\n-2.919563 5.056650 -2.065800\n0.000034 -0.000028 6.197281\nCr Cu O\n4 3 12\ndirect\n0.000001 0.000001 0.500001 Cr\n0.999999 0.500000 0.999999 Cr\n0.500000 0.500000 0.500000 Cr\n0.500001 1.000000 0.000000 Cr\n0.500001 0.500001 0.000001 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.999999 0.499999 Cu\n0.692570 0.507367 0.814130 O\n0.183853 0.304837 0.492610 O\n0.507366 0.814796 0.693237 O\n0.695163 0.879020 0.187778 O\n0.120981 0.816146 0.308760 O\n0.816146 0.695163 0.507389 O\n0.307430 0.492633 0.185869 O\n0.879018 0.183854 0.691240 O\n0.185202 0.692570 0.878439 O\n0.814797 0.307430 0.121559 O\n0.492633 0.185203 0.306762 O\n0.304837 0.120981 0.812222 O\n",
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"spacegroup": 204
}
]
}