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{
"id": "jvasp-40289",
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{
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{
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"structure_string": "Mg4 S4 O16\n1.0\n4.762537 -0.000000 0.000000\n-0.000000 6.667796 0.000000\n0.000000 0.000000 8.651149\nMg S O\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.976967 0.750000 0.321071 S\n0.476966 0.250000 0.178929 S\n0.023034 0.250000 0.678929 S\n0.523034 0.750000 0.821071 S\n0.661484 0.932889 0.875215 O\n0.161483 0.067112 0.624785 O\n0.661484 0.567112 0.875215 O\n0.161483 0.432889 0.624785 O\n0.338517 0.067112 0.124785 O\n0.838517 0.932889 0.375215 O\n0.960177 0.750000 0.147305 O\n0.274896 0.750000 0.374552 O\n0.039824 0.250000 0.852696 O\n0.539824 0.750000 0.647305 O\n0.838517 0.567112 0.375215 O\n0.774896 0.250000 0.125448 O\n0.725105 0.250000 0.625448 O\n0.225105 0.750000 0.874552 O\n0.460176 0.250000 0.352695 O\n0.338517 0.432889 0.124785 O\n",
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{
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"created_at": "2022-09-04T14:38:50.014688Z",
"updated_at": "2022-09-04T14:38:50.014714Z",
"structure_string": "Y4 U1 S7\n1.0\n6.502476 -0.001599 1.644061\n5.394583 3.630519 1.644061\n0.006111 0.001864 11.635115\nY U S\n4 1 7\ndirect\n0.699807 0.699807 0.186008 Y\n0.301918 0.301917 0.811572 Y\n0.116311 0.116310 0.578213 Y\n0.999869 0.999867 0.998150 Y\n0.884568 0.884567 0.423252 U\n0.040133 0.040133 0.214432 S\n0.959646 0.959644 0.784220 S\n0.740077 0.740076 0.651949 S\n0.256592 0.256592 0.349363 S\n0.500043 0.500042 0.502898 S\n0.341664 0.341664 0.050475 S\n0.659375 0.659373 0.949464 S\n",
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{
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"structure_string": "Li2 Sc2 P4 O14\n1.0\n4.932943 -0.045526 0.000000\n-2.424768 6.673342 0.000000\n0.000000 0.000000 8.373817\nLi Sc P O\n2 2 4 14\ndirect\n0.813368 0.334109 0.358166 Li\n0.186630 0.665891 0.858167 Li\n0.779280 0.265577 0.000628 Sc\n0.220719 0.734423 0.500628 Sc\n0.593497 0.469178 0.679260 P\n0.193074 0.074637 0.786210 P\n0.806925 0.925362 0.286210 P\n0.406501 0.530821 0.179260 P\n0.388037 0.236136 0.656509 O\n0.925528 0.125550 0.821443 O\n0.373508 0.082012 0.936077 O\n0.242262 0.514330 0.337249 O\n0.626490 0.917987 0.436077 O\n0.757737 0.485670 0.837249 O\n0.074471 0.874449 0.321443 O\n0.128351 0.872685 0.701712 O\n0.871647 0.127314 0.201712 O\n0.397650 0.594839 0.680935 O\n0.203916 0.491286 0.034813 O\n0.796083 0.508713 0.534813 O\n0.611962 0.763863 0.156509 O\n0.602349 0.405160 0.180935 O\n",
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{
"id": "jvasp-91306",
"created_at": "2022-09-04T14:36:08.658588Z",
"updated_at": "2022-09-04T14:36:08.658614Z",
"structure_string": "Sr4 In2 Sb2 O12\n1.0\n5.778075 0.000000 -0.005173\n0.000000 5.815479 0.000000\n0.018947 0.000000 8.176388\nSr In Sb O\n4 2 2 12\ndirect\n0.007414 0.034980 0.749870 Sr\n0.492587 0.534980 0.750130 Sr\n0.992586 0.965020 0.250130 Sr\n0.507413 0.465020 0.249870 Sr\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.222264 0.796966 0.539053 O\n0.200419 0.777883 0.958573 O\n0.423694 0.019954 0.260082 O\n0.076306 0.519954 0.239918 O\n0.576305 0.980046 0.739919 O\n0.722263 0.703034 0.039053 O\n0.299581 0.277883 0.541428 O\n0.923694 0.480046 0.760082 O\n0.799581 0.222117 0.041428 O\n0.700418 0.722117 0.458573 O\n0.277736 0.296966 0.960948 O\n0.777736 0.203034 0.460948 O\n",
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"formula_full": "Sr4 In2 Sb2 O12",
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{
"id": "jvasp-112396",
"created_at": "2022-09-04T14:38:40.855908Z",
"updated_at": "2022-09-04T14:38:40.855934Z",
"structure_string": "Mg2 Mn3 Mo1 S8\n1.0\n6.309117 0.001793 3.736752\n2.127145 5.939524 3.737709\n-0.001357 -0.001606 7.332504\nMg Mn Mo S\n2 3 1 8\ndirect\n0.870143 0.870156 0.870113 Mg\n0.129856 0.129841 0.129889 Mg\n0.499999 0.499998 0.999999 Mn\n0.000001 0.500002 0.499999 Mn\n0.499999 -0.000001 0.500002 Mn\n0.500003 0.499997 0.500000 Mo\n0.735036 0.735034 0.734955 S\n0.260875 0.260846 0.720767 S\n0.260833 0.720740 0.260790 S\n0.720745 0.260826 0.260817 S\n0.739171 0.279258 0.739208 S\n0.279254 0.739170 0.739182 S\n0.264963 0.264963 0.265047 S\n0.739124 0.739152 0.279235 S\n",
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{
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"created_at": "2022-09-04T14:36:53.598499Z",
"updated_at": "2022-09-04T14:36:53.598511Z",
"structure_string": "Ce1 Mo6 S8\n1.0\n6.501412 -0.003876 0.128824\n0.126220 6.500189 0.128824\n-0.003955 -0.003876 6.502688\nCe Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Ce\n0.437752 0.775148 0.579601 Mo\n0.579600 0.437752 0.775148 Mo\n0.775148 0.579601 0.437752 Mo\n0.224851 0.420398 0.562247 Mo\n0.420399 0.562247 0.224851 Mo\n0.562247 0.224851 0.420399 Mo\n0.245502 0.629171 0.874047 S\n0.629171 0.874047 0.245502 S\n0.759445 0.759445 0.759445 S\n0.874046 0.245502 0.629171 S\n0.125953 0.754497 0.370828 S\n0.240554 0.240554 0.240554 S\n0.370828 0.125952 0.754497 S\n0.754497 0.370828 0.125952 S\n",
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{
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"created_at": "2022-09-04T14:38:50.962137Z",
"updated_at": "2022-09-04T14:38:50.962164Z",
"structure_string": "Li12 Mn2 Fe4 O12\n1.0\n2.851319 0.001441 -0.803193\n-0.860198 14.754638 2.437168\n0.294776 0.399800 6.508845\nLi Mn Fe O\n12 2 4 12\ndirect\n0.019523 0.310190 0.728821 Li\n0.960095 0.824324 0.095970 Li\n0.670438 0.288586 0.052250 Li\n0.610994 0.802840 0.419151 Li\n0.964562 0.152033 0.777043 Li\n0.964625 0.657499 0.271741 Li\n0.665880 0.455518 0.876191 Li\n0.665748 0.960975 0.370527 Li\n0.315059 0.140834 0.489298 Li\n0.315770 0.632752 -0.001155 Li\n0.314691 0.480331 0.149004 Li\n0.315169 0.972260 0.658090 Li\n0.279521 0.791922 0.767217 Mn\n0.350938 0.321194 0.380685 Mn\n0.011962 0.995747 0.028157 Fe\n0.009422 0.496059 0.522738 Fe\n0.618282 0.117195 0.119349 Fe\n0.621099 0.617000 0.625201 Fe\n0.441677 0.067669 0.815652 O\n0.518869 0.390832 0.646830 O\n0.519114 0.893284 0.145006 O\n0.111215 0.219687 0.002715 O\n0.111606 0.722223 0.501033 O\n0.864335 0.230011 0.498668 O\n0.840249 0.719097 0.961469 O\n0.790185 0.393962 0.186374 O\n0.766018 0.883062 0.649017 O\n0.188619 0.045337 0.331908 O\n0.186557 0.540938 0.832136 O\n0.443954 0.572113 0.315784 O\n",
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{
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"structure_string": "Sr4 Hf4 O12\n1.0\n5.783475 -0.000000 0.000000\n0.000000 5.808851 0.000000\n0.000000 0.000000 8.182323\nSr Hf O\n4 4 12\ndirect\n0.005582 0.526023 0.250000 Sr\n0.505583 0.973977 0.750000 Sr\n0.494418 0.026023 0.250000 Sr\n0.994418 0.473977 0.750000 Sr\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Hf\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.500000 Hf\n0.431125 0.514551 0.750000 O\n0.931126 0.985448 0.250000 O\n0.217928 0.281983 0.036183 O\n0.717928 0.218017 0.963816 O\n0.282072 0.781983 0.463817 O\n0.717928 0.218017 0.536183 O\n0.782073 0.718017 0.963816 O\n0.282072 0.781983 0.036183 O\n0.568875 0.485448 0.250000 O\n0.217928 0.281983 0.463817 O\n0.782073 0.718017 0.536183 O\n0.068875 0.014551 0.750000 O\n",
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"volume": 274.8879602998605,
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{
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"created_at": "2022-09-04T14:36:10.978850Z",
"updated_at": "2022-09-04T14:36:10.978861Z",
"structure_string": "Mg8 Si4 O16\n1.0\n5.324734 0.000000 2.151354\n1.820722 6.740274 3.158801\n0.000819 0.009944 7.663175\nMg Si O\n8 4 16\ndirect\n0.377791 0.122209 0.622209 Mg\n0.122209 0.877790 0.377791 Mg\n0.622209 0.877790 0.377791 Mg\n0.877790 0.122209 0.622209 Mg\n0.749999 0.278806 0.221194 Mg\n0.250000 0.721193 0.778806 Mg\n0.500000 0.499999 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.619513 0.763358 0.997613 Si\n0.880486 0.502386 0.736641 Si\n0.119513 0.497613 0.263359 Si\n0.380486 0.236641 0.002386 Si\n0.750000 0.531946 0.968052 O\n0.250000 0.468053 0.031947 O\n0.637524 0.615528 0.629905 O\n0.990916 0.263963 0.754202 O\n0.009083 0.736036 0.245798 O\n0.509083 0.745797 0.236036 O\n0.490916 0.254202 0.763963 O\n0.382959 0.870094 0.884471 O\n0.137524 0.129905 0.115529 O\n0.117041 0.615528 0.629905 O\n0.362476 0.384471 0.370094 O\n0.617040 0.129905 0.115529 O\n0.862475 0.870094 0.884471 O\n0.882959 0.384471 0.370094 O\n0.250000 0.967774 0.532225 O\n0.750000 0.032225 0.467775 O\n",
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{
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"structure_string": "Ti8 Fe2 Bi4\n1.0\n4.701827 0.000004 1.564062\n2.350919 7.448467 0.782035\n-0.000138 0.000004 7.849716\nTi Fe Bi\n8 2 4\ndirect\n0.579269 0.729523 0.111940 Ti\n0.920732 0.888060 0.270477 Ti\n0.308799 0.111938 0.270474 Ti\n0.808800 0.270473 0.111938 Ti\n0.691202 0.888061 0.729527 Ti\n0.079268 0.111939 0.729524 Ti\n0.420732 0.270476 0.888061 Ti\n0.191201 0.729526 0.888062 Ti\n0.250000 0.000001 -0.000001 Fe\n0.750001 -0.000001 0.000001 Fe\n0.360184 0.779630 0.500001 Bi\n0.139817 0.500000 0.220370 Bi\n0.639817 0.220369 0.500000 Bi\n0.860184 0.500000 0.779631 Bi\n",
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]
}