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{
"id": "jvasp-85691",
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"structure_string": "Na2 Hf1 H6 O6\n1.0\n2.986175 1.723998 4.719139\n-2.986171 1.724068 4.719118\n0.000062 -3.447979 4.719106\nNa Hf H O\n2 1 6 6\ndirect\n0.168028 0.168018 0.168030 Na\n0.831972 0.831984 0.831970 Na\n0.500000 0.500001 0.500000 Hf\n0.077485 0.646998 0.325024 H\n0.646979 0.325041 0.077483 H\n0.325032 0.077490 0.646967 H\n0.922515 0.353004 0.674976 H\n0.353020 0.674961 0.922517 H\n0.674968 0.922511 0.353033 H\n0.128188 0.712646 0.414211 O\n0.712651 0.414225 0.128164 O\n0.414206 0.128190 0.712633 O\n0.871812 0.287355 0.585789 O\n0.287349 0.585777 0.871836 O\n0.585794 0.871811 0.287367 O\n",
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{
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"structure_string": "Li2 U1 Mo2 O10\n1.0\n5.244092 0.016621 -1.003638\n-1.759396 5.225858 -1.829741\n-0.034152 -0.011714 8.277587\nLi U Mo O\n2 1 2 10\ndirect\n0.480447 0.215818 0.423911 Li\n0.519552 0.784183 0.576090 Li\n0.000000 0.000000 0.000000 U\n0.913728 0.656554 0.303604 Mo\n0.086271 0.343447 0.696396 Mo\n0.783452 0.125756 0.540145 O\n0.784547 0.794066 0.150606 O\n0.683187 0.948370 0.836778 O\n0.981517 0.376237 0.177658 O\n0.314840 0.432029 0.583545 O\n0.018483 0.623764 0.822342 O\n0.215453 0.205935 0.849394 O\n0.685159 0.567972 0.416455 O\n0.216547 0.874245 0.459855 O\n0.316813 0.051631 0.163222 O\n",
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"formula_full": "Li2 U1 Mo2 O10",
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{
"id": "jvasp-88949",
"created_at": "2022-09-04T14:35:51.269299Z",
"updated_at": "2022-09-04T14:35:51.269313Z",
"structure_string": "Ba3 Ca1 Ir2 O9\n1.0\n5.874755 0.000000 -0.000000\n-2.937377 5.087686 0.000000\n0.000000 0.000000 7.211911\nBa Ca Ir O\n3 1 2 9\ndirect\n0.333333 0.666667 0.664016 Ba\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333333 0.335984 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.157781 Ir\n0.666666 0.333333 0.842219 Ir\n0.821722 0.178277 0.684878 O\n0.821722 0.643446 0.684878 O\n0.356554 0.178277 0.684878 O\n0.643445 0.821724 0.315122 O\n0.178277 0.356554 0.315122 O\n0.178277 0.821724 0.315122 O\n0.500000 0.000000 0.000000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "jvasp-97505",
"created_at": "2022-09-04T14:35:51.608924Z",
"updated_at": "2022-09-04T14:35:51.608954Z",
"structure_string": "V3 H4 O8\n1.0\n8.598914 1.721418 -1.589524\n-8.598914 1.721418 1.589524\n0.408746 0.000000 5.948921\nV H O\n3 4 8\ndirect\n0.000000 -0.000000 0.500000 V\n0.806721 0.193280 0.658143 V\n0.193280 0.806721 0.341857 V\n0.917585 0.082416 0.097963 H\n0.082416 0.917585 0.902037 H\n0.791187 0.208814 0.083740 H\n0.208814 0.791187 0.916260 H\n0.963665 0.036336 0.213182 O\n0.036336 0.963665 0.786818 O\n0.894638 0.105363 0.576179 O\n0.105363 0.894638 0.423821 O\n0.827204 0.172797 0.968604 O\n0.172798 0.827203 0.031396 O\n0.739706 0.260295 0.356481 O\n0.260295 0.739706 0.643519 O\n",
"nsites": 15,
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"formula_full": "V3 H4 O8",
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{
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"created_at": "2022-09-04T14:36:01.217692Z",
"updated_at": "2022-09-04T14:36:01.217722Z",
"structure_string": "Sr1 Mo6 S8\n1.0\n6.604880 -0.042952 0.101854\n0.166315 6.603058 0.105754\n0.024172 0.018570 6.605994\nSr Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.562898 0.417871 0.230213 Mo\n0.582125 0.769813 0.437082 Mo\n0.417875 0.230187 0.562916 Mo\n0.769794 0.437117 0.582100 Mo\n0.230207 0.562884 0.417898 Mo\n0.437103 0.582129 0.769785 Mo\n0.257345 0.875429 0.616708 S\n0.742656 0.124572 0.383291 S\n0.616671 0.257356 0.875423 S\n0.383330 0.742644 0.124575 S\n0.754655 0.754700 0.754583 S\n0.245346 0.245301 0.245415 S\n0.875452 0.616680 0.257323 S\n0.124548 0.383320 0.742675 S\n",
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{
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"created_at": "2022-09-04T14:35:55.508587Z",
"updated_at": "2022-09-04T14:35:55.508610Z",
"structure_string": "V5 O10\n1.0\n5.272365 0.053602 0.028064\n-2.465432 -4.735799 -0.069406\n-2.450280 0.098647 -6.768934\nV O\n5 10\ndirect\n0.000776 0.010622 0.008991 V\n0.791891 0.499984 0.614840 V\n0.608320 0.500661 0.179870 V\n0.199998 0.500148 0.397349 V\n0.399324 -0.010083 0.785725 V\n0.390196 0.306588 0.612764 O\n0.827325 0.219318 0.808759 O\n0.414206 0.200074 0.003532 O\n0.787540 0.310527 0.409486 O\n0.149417 0.260615 0.204653 O\n0.985851 0.800570 0.791179 O\n0.009934 0.693952 0.181944 O\n0.250445 0.739769 0.590109 O\n0.572674 0.781257 0.985965 O\n0.612508 0.689964 0.385224 O\n",
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{
"id": "jvasp-98735",
"created_at": "2022-09-04T14:35:57.570350Z",
"updated_at": "2022-09-04T14:35:57.570367Z",
"structure_string": "Ba3 Li4 Sn8\n1.0\n6.379012 0.000000 -2.298975\n-0.341280 6.775691 -0.946956\n-0.035183 -0.025426 9.901850\nBa Li Sn\n3 4 8\ndirect\n0.676951 0.315924 0.353902 Ba\n0.000000 0.000000 0.000000 Ba\n0.323049 0.684075 0.646097 Ba\n0.213026 0.134388 0.426052 Li\n0.786974 0.865612 0.573947 Li\n0.215812 0.500000 -0.000000 Li\n0.784188 0.500000 -0.000001 Li\n0.585911 0.192712 0.696035 Sn\n0.414089 0.807288 0.303964 Sn\n0.110125 0.192712 0.696036 Sn\n0.871599 0.549801 0.743198 Sn\n0.128401 0.450198 0.256801 Sn\n0.516442 0.796747 0.032884 Sn\n0.483558 0.203252 0.967115 Sn\n0.889875 0.807288 0.303963 Sn\n",
"nsites": 15,
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{
"id": "jvasp-42241",
"created_at": "2022-09-04T14:35:51.209902Z",
"updated_at": "2022-09-04T14:35:51.209928Z",
"structure_string": "Li3 Mn2 Cr2 O8\n1.0\n5.737443 0.028040 -0.021579\n-0.013921 5.797703 -0.087115\n-2.844653 -2.913687 4.128112\nLi Mn Cr O\n3 2 2 8\ndirect\n0.500000 -0.000000 0.500000 Li\n0.499999 0.499999 -0.000001 Li\n0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.499999 0.499999 Mn\n-0.000000 0.499999 -0.000001 Cr\n0.500000 0.499999 0.499999 Cr\n0.780081 0.260761 0.019326 O\n0.765664 0.277959 0.518465 O\n0.234352 0.252802 0.012313 O\n0.758082 0.744343 0.513741 O\n0.241917 0.255655 0.486257 O\n0.765647 0.747196 0.987685 O\n0.234335 0.722039 0.481533 O\n0.219918 0.739237 0.980672 O\n",
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],
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{
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"created_at": "2022-09-04T14:35:59.738519Z",
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"structure_string": "Ba3 Nb2 Co1 O9\n1.0\n5.822160 -0.000261 0.000411\n-2.910869 5.042230 0.002516\n-0.000801 -0.003887 7.150658\nBa Nb Co O\n3 2 1 9\ndirect\n0.666663 0.333332 0.335757 Ba\n-0.000000 0.000001 0.000000 Ba\n0.333336 0.666669 0.664243 Ba\n0.333335 0.666676 0.178605 Nb\n0.666665 0.333324 0.821396 Nb\n-0.000000 -0.000000 0.500000 Co\n0.500000 0.500000 0.000000 O\n0.169684 0.339381 0.328294 O\n0.830317 0.660618 0.671706 O\n-0.000000 0.499999 0.000000 O\n0.169693 0.830341 0.328264 O\n0.339342 0.169647 0.671721 O\n0.830308 0.169658 0.671737 O\n0.660658 0.830352 0.328279 O\n0.500000 0.000000 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:05.195624Z",
"updated_at": "2022-09-04T14:37:05.195647Z",
"structure_string": "Mn1 H8 N4 Cl2\n1.0\n4.326720 4.001871 -1.247207\n-4.326720 4.001871 1.247207\n-0.038917 0.000000 4.269180\nMn H N Cl\n1 8 4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.011906 0.332797 0.447211 H\n0.667203 0.988094 0.447211 H\n0.988093 0.667203 0.552789 H\n0.332796 0.011906 0.552789 H\n0.260467 0.369431 0.702609 H\n0.630569 0.739533 0.702609 H\n0.739533 0.630569 0.297391 H\n0.369431 0.260467 0.297391 H\n0.146077 0.250180 0.601553 N\n0.749820 0.853923 0.601553 N\n0.853923 0.749821 0.398447 N\n0.250179 0.146077 0.398447 N\n0.712127 0.287873 -0.018573 Cl\n0.287873 0.712127 0.018573 Cl\n",
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{
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"created_at": "2022-09-04T14:36:44.183217Z",
"updated_at": "2022-09-04T14:36:44.183241Z",
"structure_string": "Sn1 H6 C4 O4\n1.0\n4.761210 0.178116 -2.043871\n-1.240353 5.137026 -0.851810\n0.090228 -0.053408 6.020156\nSn H C O\n1 6 4 4\ndirect\n0.409761 0.688657 0.475061 Sn\n0.197624 0.302227 0.076746 H\n0.922270 0.479552 0.079208 H\n0.187520 0.602171 0.979751 H\n0.632076 0.775244 -0.029603 H\n0.897279 0.897816 0.870867 H\n0.621928 0.075146 0.873327 H\n0.143935 0.493479 0.103764 C\n0.675621 0.883893 0.846339 C\n0.061237 0.154986 0.515904 C\n0.758249 0.222344 0.434198 C\n0.062581 0.915563 0.484926 O\n0.277219 0.338223 0.609054 O\n0.542252 0.039125 0.341052 O\n0.756927 0.461770 0.465184 O\n",
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{
"id": "jvasp-103846",
"created_at": "2022-09-04T14:36:59.005971Z",
"updated_at": "2022-09-04T14:36:59.005985Z",
"structure_string": "H5 C7 S1 N1 O1\n1.0\n4.812147 -0.131311 1.997918\n0.914586 4.756842 0.808700\n0.035565 0.165097 7.449648\nH C S N O\n5 7 1 1 1\ndirect\n0.545158 0.634868 0.651694 H\n0.552946 0.350654 0.231300 H\n0.367305 0.134838 0.579047 H\n0.734193 0.857497 0.307864 H\n0.970529 0.088929 0.855155 H\n0.232061 0.288442 0.515449 C\n0.334356 0.404474 0.326643 C\n0.937776 0.360460 0.640449 C\n0.152034 0.608095 0.244408 C\n0.764089 0.579716 0.558394 C\n0.866892 0.700237 0.371101 C\n0.222984 0.682276 0.030749 C\n0.382433 0.936316 0.059204 S\n0.824693 0.240963 0.818246 N\n0.159082 0.616671 0.905503 O\n",
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}
]
}