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{
"id": "jvasp-9517",
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"updated_at": "2022-09-04T14:37:17.840241Z",
"structure_string": "V2 P2 O10\n1.0\n5.008096 0.495767 0.003521\n-0.215177 5.028024 0.007510\n-2.180454 -2.516670 6.470712\nV P O\n2 2 10\ndirect\n0.947347 0.482934 0.465158 V\n0.482486 0.947777 0.965199 V\n0.872877 0.135669 0.753500 P\n0.135349 0.873421 0.253648 P\n0.165012 0.163008 0.924683 O\n0.831205 0.848238 0.579203 O\n0.847869 0.831626 0.079313 O\n0.162555 0.165479 0.424811 O\n0.164401 0.643177 0.353462 O\n0.377181 0.854036 0.166817 O\n0.853227 0.377474 0.666586 O\n0.642638 0.164519 0.853265 O\n0.672854 0.356501 0.263490 O\n0.355908 0.673178 0.763697 O\n",
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{
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"structure_string": "K2 Sn6 Au6\n1.0\n4.744704 -0.000000 0.000000\n0.000000 7.804103 0.000000\n0.000000 0.000000 9.508880\nK Sn Au\n2 6 6\ndirect\n0.250000 0.750000 0.266911 K\n0.749999 0.250000 0.733089 K\n0.749999 0.454173 0.121962 Sn\n0.749999 0.045827 0.121962 Sn\n0.250000 0.954172 0.878038 Sn\n0.250000 0.545827 0.878038 Sn\n0.250000 0.250000 0.384653 Sn\n0.749999 0.750000 0.615347 Sn\n0.749999 0.031067 0.414496 Au\n0.250000 0.250000 0.072116 Au\n0.749999 0.750000 0.927884 Au\n0.250000 0.968933 0.585504 Au\n0.250000 0.531067 0.585504 Au\n0.749999 0.468933 0.414496 Au\n",
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{
"id": "jvasp-10294",
"created_at": "2022-09-04T14:37:07.309968Z",
"updated_at": "2022-09-04T14:37:07.309990Z",
"structure_string": "Rb2 Na4 B2 O6\n1.0\n5.560749 0.000000 0.000000\n0.000000 5.695351 0.000000\n0.000000 0.000000 6.106151\nRb Na B O\n2 4 2 6\ndirect\n0.887037 0.500000 0.000000 Rb\n0.112963 0.000000 0.500000 Rb\n0.364635 0.500000 0.268408 Na\n0.364635 0.500000 0.731592 Na\n0.635365 0.000000 0.231592 Na\n0.635365 0.000000 0.768408 Na\n0.786829 0.500000 0.500000 B\n0.213172 0.000000 0.000000 B\n0.655087 0.289684 0.500000 O\n0.344913 0.210316 0.000000 O\n0.035987 0.500000 0.500000 O\n0.964013 0.000000 0.000000 O\n0.344913 0.789684 0.000000 O\n0.655087 0.710316 0.500000 O\n",
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"volume": 193.38435074247533,
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"formula_full": "Rb2 Na4 B2 O6",
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{
"id": "jvasp-24630",
"created_at": "2022-09-04T14:37:18.607856Z",
"updated_at": "2022-09-04T14:37:18.607874Z",
"structure_string": "Hg6 Te4 Br4\n1.0\n7.917520 0.000000 -2.799266\n-3.958760 6.856773 -2.799266\n-0.000000 0.000000 8.397798\nHg Te Br\n6 4 4\ndirect\n0.750000 0.940242 0.190242 Hg\n0.309758 0.250000 0.559757 Hg\n0.559758 0.309757 0.250000 Hg\n0.190243 0.750000 0.940242 Hg\n0.940242 0.190243 0.750000 Hg\n0.250000 0.559757 0.309757 Hg\n0.941763 0.500000 -0.000001 Te\n0.500000 -0.000000 0.941763 Te\n0.558237 0.558237 0.558237 Te\n-0.000000 0.941762 0.499999 Te\n0.468120 0.500000 -0.000001 Br\n0.500000 -0.000000 0.468120 Br\n-0.000000 0.468120 0.500000 Br\n0.031880 0.031880 0.031880 Br\n",
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"volume": 455.90501026939074,
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"formula_full": "Hg6 Te4 Br4",
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{
"id": "jvasp-57308",
"created_at": "2022-09-04T14:37:17.794694Z",
"updated_at": "2022-09-04T14:37:17.794719Z",
"structure_string": "Tl4 Mo2 O8\n1.0\n3.113040 -5.391944 -0.000000\n3.113040 5.391944 0.000000\n-0.000000 -0.000000 8.318704\nTl Mo O\n4 2 8\ndirect\n0.333333 0.666667 0.176929 Tl\n0.000000 0.000000 0.000000 Tl\n0.666667 0.333333 0.823070 Tl\n0.000000 0.000000 0.500000 Tl\n0.666667 0.333333 0.315530 Mo\n0.333333 0.666667 0.684469 Mo\n0.178461 0.821539 0.758887 O\n0.666667 0.333333 0.530032 O\n0.821539 0.643078 0.241112 O\n0.821539 0.178461 0.241112 O\n0.643078 0.821539 0.758887 O\n0.356922 0.178461 0.241112 O\n0.178461 0.356922 0.758887 O\n0.333333 0.666667 0.469967 O\n",
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{
"id": "jvasp-10245",
"created_at": "2022-09-04T14:37:29.931912Z",
"updated_at": "2022-09-04T14:37:29.931942Z",
"structure_string": "Ca2 Ti2 F10\n1.0\n5.303688 0.015861 1.921306\n1.149688 5.177604 1.921306\n-0.003196 -0.002573 7.718692\nCa Ti F\n2 2 10\ndirect\n0.456788 0.543212 0.750000 Ca\n0.543212 0.456788 0.250000 Ca\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.204867 0.255004 0.879540 F\n0.744996 0.795132 0.620460 F\n0.795133 0.744995 0.120460 F\n0.255004 0.204867 0.379541 F\n0.093222 0.906778 0.750000 F\n0.906778 0.093222 0.250000 F\n0.286343 0.684835 0.469663 F\n0.315165 0.713657 0.030338 F\n0.713657 0.315165 0.530338 F\n0.684835 0.286343 0.969663 F\n",
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"spacegroup": 15
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{
"id": "jvasp-34921",
"created_at": "2022-09-04T14:37:17.765257Z",
"updated_at": "2022-09-04T14:37:17.765267Z",
"structure_string": "Na4 Ti2 Cl8\n1.0\n3.714849 0.000000 0.000000\n0.000000 6.924404 -0.000000\n0.000000 -0.000000 12.040286\nNa Ti Cl\n4 2 8\ndirect\n0.000000 0.413498 0.320954 Na\n0.000000 0.586501 0.679046 Na\n0.000000 0.913498 0.179046 Na\n0.000000 0.086502 0.820955 Na\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.256091 0.042674 Cl\n0.500000 0.880668 0.698481 Cl\n0.500000 0.119332 0.301519 Cl\n0.500000 0.380668 0.801519 Cl\n0.500000 0.619331 0.198481 Cl\n0.000000 0.756091 0.457326 Cl\n0.000000 0.243908 0.542674 Cl\n0.000000 0.743908 0.957326 Cl\n",
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"volume": 309.7136647219205,
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{
"id": "jvasp-52154",
"created_at": "2022-09-04T14:37:17.760469Z",
"updated_at": "2022-09-04T14:37:17.760491Z",
"structure_string": "Mg4 Tc2 O8\n1.0\n6.068848 -0.029663 -0.005892\n3.008736 5.211283 0.000000\n3.021050 1.729984 4.971142\nMg Tc O\n4 2 8\ndirect\n0.011636 0.988365 0.011635 Mg\n0.238366 0.261634 0.238365 Mg\n0.625000 0.125000 0.625000 Mg\n0.625001 0.624999 0.625000 Mg\n0.125001 0.624999 0.625000 Tc\n0.625001 0.625000 0.125000 Tc\n0.378209 0.391729 0.378209 O\n0.374937 0.391788 0.841487 O\n0.378209 0.851852 0.378209 O\n0.841488 0.391788 0.374937 O\n0.408514 0.858210 0.875064 O\n0.875065 0.858211 0.408513 O\n0.871792 0.398147 0.871792 O\n0.871793 0.858270 0.871792 O\n",
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{
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"created_at": "2022-09-04T14:37:17.753048Z",
"updated_at": "2022-09-04T14:37:17.753069Z",
"structure_string": "Ca2 Mn4 S8\n1.0\n7.236290 -0.021433 -0.049386\n-3.544412 -6.431464 0.020542\n-3.562175 1.862870 -6.145669\nCa Mn S\n2 4 8\ndirect\n0.000019 0.000015 -0.000021 Ca\n0.500028 0.499977 0.500024 Ca\n-0.000055 0.499979 -0.000037 Mn\n0.500113 0.000021 0.000107 Mn\n0.499941 0.499955 -0.000019 Mn\n0.000099 0.500094 0.500022 Mn\n0.955185 0.698649 0.223021 S\n0.988553 0.270790 0.239794 S\n0.544664 0.276879 0.801334 S\n0.488527 0.739784 0.770773 S\n0.455219 0.723020 0.198652 S\n0.011485 0.729238 0.760203 S\n0.511495 0.260190 0.229257 S\n0.044684 0.301321 0.776889 S\n",
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"structure_string": "Y2 Mn4 O8\n1.0\n5.431845 -0.127336 -2.928370\n-1.521069 5.317118 -2.740642\n-0.207000 -0.048008 6.372217\nY Mn O\n2 4 8\ndirect\n-0.000000 0.500001 0.000001 Y\n0.000001 -0.000000 0.500000 Y\n0.380948 0.630947 0.750001 Mn\n0.619053 0.369053 0.250000 Mn\n0.500001 -0.000001 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.698600 0.759409 0.473122 O\n0.786288 0.225480 0.026881 O\n0.216368 0.215739 0.981652 O\n0.301400 0.240592 0.526880 O\n0.265913 0.765284 0.481651 O\n0.213712 0.774520 0.973122 O\n0.734086 0.234714 0.518348 O\n0.783632 0.784261 0.018349 O\n",
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{
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"structure_string": "Ca2 Co4 O8\n1.0\n5.194647 -0.000075 2.999064\n1.731485 4.897584 2.999052\n-0.000018 -0.000027 5.998160\nCa Co O\n2 4 8\ndirect\n0.875008 0.875007 0.874994 Ca\n0.124992 0.124994 0.125005 Ca\n0.500000 0.000000 0.500000 Co\n0.000001 0.499999 0.500000 Co\n0.500001 0.500000 -0.000001 Co\n0.500001 0.500000 0.499999 Co\n0.728082 0.728080 0.728080 O\n0.271920 0.271921 0.684243 O\n0.271925 0.684239 0.271919 O\n0.684238 0.271925 0.271919 O\n0.728078 0.315760 0.728078 O\n0.315762 0.728076 0.728079 O\n0.271920 0.271919 0.271918 O\n0.728081 0.728079 0.315757 O\n",
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{
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"created_at": "2022-09-04T14:37:17.748551Z",
"updated_at": "2022-09-04T14:37:17.748579Z",
"structure_string": "Nd4 U2 Te8\n1.0\n8.197060 0.005710 -0.009890\n-2.726971 7.730167 0.009890\n-2.743120 -3.862228 6.689575\nNd U Te\n4 2 8\ndirect\n0.250000 0.622794 0.372794 Nd\n0.750000 0.877207 0.127207 Nd\n0.627207 0.377207 0.250000 Nd\n0.872794 0.122794 0.750001 Nd\n0.125000 0.750000 0.875001 U\n0.375000 0.250000 0.625000 U\n0.004346 0.851286 0.503551 Te\n0.003551 0.351286 0.504346 Te\n0.496450 0.000795 0.347735 Te\n0.153061 0.148714 0.152266 Te\n0.346940 0.499205 0.995655 Te\n0.495655 0.999205 0.846940 Te\n0.652266 0.648715 0.653061 Te\n0.847735 0.500796 0.996450 Te\n",
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]
}