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{
"id": "jvasp-98457",
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"updated_at": "2022-09-04T14:36:04.817541Z",
"structure_string": "Sm16 Si8 Se12 O28\n1.0\n10.126763 -0.011855 -4.582749\n-5.909419 9.210297 -1.949936\n-0.007606 0.011855 11.115433\nSm Si Se O\n16 8 12 28\ndirect\n0.010750 0.344063 0.333313 Sm\n0.989249 0.333313 0.822562 Sm\n0.095135 0.047568 0.297568 Sm\n0.250000 0.297568 0.702432 Sm\n0.250000 0.952433 0.047567 Sm\n0.904864 0.952433 0.702431 Sm\n0.750000 0.702432 0.297567 Sm\n0.749999 0.047568 0.952432 Sm\n0.404864 0.702433 0.952432 Sm\n0.010750 0.666688 0.177437 Sm\n0.489249 0.666688 0.655936 Sm\n0.489249 0.822563 0.333312 Sm\n0.989249 0.655937 0.666687 Sm\n0.510750 0.177438 0.666687 Sm\n0.510750 0.333313 0.344063 Sm\n0.595135 0.297567 0.047567 Sm\n0.125635 0.906887 0.532520 Si\n0.374365 0.467479 0.093114 Si\n0.625634 0.093114 0.218748 Si\n0.874365 0.093114 0.467479 Si\n0.874365 0.781252 0.906885 Si\n0.125635 0.218749 0.093114 Si\n0.374365 0.906887 0.781251 Si\n0.625634 0.532521 0.906885 Si\n0.645357 0.000000 0.645357 Se\n0.354642 0.354642 0.500000 Se\n0.145358 0.645358 -0.000000 Se\n0.145358 0.500000 0.645357 Se\n0.645357 0.645358 0.499999 Se\n0.854642 0.354642 -0.000000 Se\n0.854642 0.500000 0.354642 Se\n0.250000 0.625000 0.375000 Se\n0.750000 0.375000 0.624999 Se\n0.750000 0.875000 0.124999 Se\n0.354642 0.000000 0.354642 Se\n0.250000 0.125000 0.875000 Se\n0.978792 0.169095 0.647888 O\n0.521207 0.169095 0.190302 O\n0.521207 0.352112 0.830904 O\n0.978792 0.809697 0.830904 O\n0.478793 0.647888 0.169095 O\n0.478793 0.830905 0.809697 O\n0.021207 0.830905 0.352111 O\n0.770766 0.920230 0.431040 O\n0.250000 0.858063 0.608062 O\n0.750000 0.608063 0.858062 O\n0.750000 0.141937 0.391937 O\n0.021207 0.190303 0.169095 O\n0.729233 0.160274 0.149463 O\n0.489188 0.568959 0.839725 O\n0.010811 0.850537 0.079770 O\n0.989188 0.149463 0.920229 O\n0.510811 0.431041 0.160274 O\n0.510811 0.079770 0.850536 O\n0.989188 0.839726 0.568958 O\n0.770766 0.850537 0.839725 O\n0.229233 0.079770 0.568959 O\n0.270767 0.839726 0.850536 O\n0.270767 0.431042 0.920229 O\n0.229233 0.149463 0.160274 O\n0.010811 0.160275 0.431041 O\n0.489188 0.920230 0.149463 O\n0.729233 0.568959 0.079770 O\n0.250000 0.391938 0.141937 O\n",
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"volume": 1036.1971636403346,
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"formula_full": "Sm16 Si8 Se12 O28",
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{
"id": "jvasp-98568",
"created_at": "2022-09-04T14:35:51.768958Z",
"updated_at": "2022-09-04T14:35:51.768988Z",
"structure_string": "Rb4 Ag2 Au6 I16\n1.0\n7.589619 -0.000000 0.000000\n-3.794810 6.512498 -1.338593\n0.000000 -0.198778 20.985864\nRb Ag Au I\n4 2 6 16\ndirect\n0.734929 0.414380 0.593352 Rb\n0.679451 0.414380 0.093352 Rb\n0.265071 0.585620 0.406648 Rb\n0.320549 0.585620 0.906648 Rb\n0.974411 -0.000000 0.250000 Ag\n0.025589 -0.000000 0.750000 Ag\n-0.000000 -0.000000 0.500000 Au\n0.593973 0.194110 0.302001 Au\n0.406028 0.805890 0.697998 Au\n0.399863 0.805890 0.197999 Au\n0.600137 0.194110 0.802001 Au\n0.000000 0.000000 0.000000 Au\n0.582783 0.644470 0.251598 I\n0.333321 0.098605 0.934987 I\n0.195578 0.942928 0.143089 I\n0.765284 0.098605 0.434987 I\n0.230918 0.395080 0.565824 I\n0.666679 0.901395 0.065013 I\n0.835839 0.604920 0.934176 I\n0.769082 0.604920 0.434176 I\n0.747350 0.942928 0.643089 I\n0.164161 0.395080 0.065824 I\n0.252650 0.057072 0.356911 I\n0.417217 0.355530 0.748402 I\n0.061687 0.644469 0.751598 I\n0.938313 0.355530 0.248402 I\n0.234716 0.901395 0.565012 I\n0.804422 0.057072 0.856911 I\n",
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{
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"created_at": "2022-09-04T14:36:32.050074Z",
"updated_at": "2022-09-04T14:36:32.050103Z",
"structure_string": "Mo12 Br24\n1.0\n9.435575 0.060072 0.000000\n-2.045082 9.211478 0.000000\n0.000000 0.000000 11.864562\nMo Br\n12 24\ndirect\n0.127314 0.872686 0.000000 Mo\n0.065582 0.065582 0.857031 Mo\n0.434417 0.434418 0.357031 Mo\n0.934417 0.934418 0.142969 Mo\n0.856855 0.856855 0.934681 Mo\n0.565582 0.565582 0.642968 Mo\n0.356855 0.356855 0.565319 Mo\n0.143145 0.143145 0.065319 Mo\n0.627313 0.372686 0.500000 Mo\n0.872686 0.127314 0.000000 Mo\n0.643144 0.643145 0.434681 Mo\n0.372686 0.627314 0.500000 Mo\n0.547936 0.296171 0.707880 Br\n0.918640 0.665539 0.077841 Br\n0.581360 0.834461 0.577841 Br\n0.165539 0.418640 0.422159 Br\n0.334461 0.081360 0.922159 Br\n0.952063 0.203828 0.207880 Br\n0.646100 0.646101 0.853849 Br\n0.047937 0.796172 0.792119 Br\n0.853899 0.853899 0.353849 Br\n0.146101 0.146101 0.646151 Br\n0.353899 0.353899 0.146151 Br\n0.801816 0.198183 0.500000 Br\n0.698183 0.301816 0.000000 Br\n0.198184 0.801817 0.500000 Br\n0.796171 0.047936 0.792119 Br\n0.301816 0.698184 0.000000 Br\n0.418640 0.165539 0.422159 Br\n0.834461 0.581360 0.577841 Br\n0.665539 0.918640 0.077841 Br\n0.203828 0.952064 0.207880 Br\n0.296171 0.547937 0.707880 Br\n0.452063 0.703829 0.292119 Br\n0.081360 0.334461 0.922159 Br\n0.703828 0.452063 0.292119 Br\n",
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{
"id": "jvasp-22878",
"created_at": "2022-09-04T14:38:18.086532Z",
"updated_at": "2022-09-04T14:38:18.086574Z",
"structure_string": "K12 Nb4 Se16\n1.0\n9.640693 -0.000000 0.000000\n0.000000 9.702004 0.000000\n0.000000 0.000000 11.034027\nK Nb Se\n12 4 16\ndirect\n0.370952 0.588710 0.750000 K\n0.129048 0.088710 0.250000 K\n0.629047 0.411290 0.250000 K\n0.870952 0.911290 0.750000 K\n0.943621 0.707341 0.453895 K\n0.443621 0.792659 0.046105 K\n0.556378 0.207341 0.546105 K\n0.056379 0.292659 0.953895 K\n0.056379 0.292659 0.546105 K\n0.556378 0.207341 0.953895 K\n0.443621 0.792659 0.453895 K\n0.943621 0.707341 0.046105 K\n0.288157 0.015373 0.750000 Nb\n0.788157 0.484627 0.750000 Nb\n0.211843 0.515372 0.250000 Nb\n0.711843 0.984627 0.250000 Nb\n0.165486 0.948070 0.931419 Se\n0.665486 0.551929 0.568581 Se\n0.189811 0.763207 0.250000 Se\n0.689811 0.736793 0.250000 Se\n0.310189 0.263207 0.750000 Se\n0.810189 0.236793 0.750000 Se\n0.981289 0.414032 0.250000 Se\n0.481289 0.085968 0.250000 Se\n0.018711 0.585968 0.750000 Se\n0.165486 0.948070 0.568581 Se\n0.834513 0.051930 0.068581 Se\n0.665486 0.551929 0.931419 Se\n0.334514 0.448070 0.431419 Se\n0.834513 0.051930 0.431419 Se\n0.518710 0.914032 0.750000 Se\n0.334514 0.448070 0.068581 Se\n",
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{
"id": "jvasp-49963",
"created_at": "2022-09-04T14:35:45.627759Z",
"updated_at": "2022-09-04T14:35:45.627784Z",
"structure_string": "Sr4 Ca4 I16\n1.0\n7.052338 -0.000000 0.000000\n-0.000000 7.881294 0.000000\n0.000000 0.000000 18.548973\nSr Ca I\n4 4 16\ndirect\n0.000000 0.750000 0.066920 Sr\n0.000000 0.250000 0.933080 Sr\n0.500000 0.250000 0.433080 Sr\n0.500000 0.750000 0.566920 Sr\n0.000000 0.750000 0.314156 Ca\n0.000000 0.250000 0.685844 Ca\n0.500000 0.750000 0.814156 Ca\n0.500000 0.250000 0.185844 Ca\n0.257219 0.086992 0.805094 I\n0.257219 0.586992 0.194906 I\n0.242781 0.086992 0.305094 I\n0.242781 0.586992 0.694906 I\n0.237416 0.088291 0.561356 I\n0.237416 0.588290 0.438644 I\n0.762584 0.411709 0.561356 I\n0.742782 0.413007 0.805094 I\n0.757219 0.913007 0.694906 I\n0.757219 0.413007 0.305094 I\n0.262584 0.088291 0.061356 I\n0.742782 0.913007 0.194906 I\n0.737417 0.911709 0.938644 I\n0.737417 0.411709 0.061356 I\n0.762584 0.911709 0.438644 I\n0.262584 0.588290 0.938644 I\n",
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{
"id": "jvasp-91480",
"created_at": "2022-09-04T14:35:47.334203Z",
"updated_at": "2022-09-04T14:35:47.334229Z",
"structure_string": "K6 Sb14 S6 O18\n1.0\n14.473619 0.000001 -0.000000\n-7.236811 12.534522 0.000000\n-0.000000 -0.000000 5.672816\nK Sb S O\n6 14 6 18\ndirect\n0.708001 0.897580 0.640142 K\n0.189580 0.291999 0.640142 K\n0.291999 0.102420 0.140141 K\n0.897580 0.189579 0.140141 K\n0.810420 0.708000 0.140141 K\n0.102420 0.810420 0.640142 K\n0.333333 0.666667 0.751911 Sb\n0.666667 0.333333 0.251911 Sb\n0.719021 0.167187 0.645996 Sb\n0.167187 0.448166 0.145994 Sb\n0.448166 0.280979 0.645996 Sb\n0.612938 0.596971 0.633828 Sb\n0.984033 0.387062 0.633828 Sb\n0.387062 0.403029 0.133828 Sb\n0.403029 0.015966 0.633828 Sb\n0.015967 0.612938 0.133828 Sb\n0.596971 0.984033 0.133828 Sb\n0.832813 0.551834 0.645996 Sb\n0.551834 0.719021 0.145994 Sb\n0.280979 0.832813 0.145994 Sb\n0.164243 0.630106 0.571756 S\n0.835757 0.369894 0.071755 S\n0.534137 0.164243 0.071755 S\n0.465863 0.835757 0.571756 S\n0.630106 0.465863 0.071755 S\n0.369894 0.534136 0.571756 S\n0.935239 0.647432 0.890304 O\n0.936953 0.640734 0.388892 O\n0.712195 0.064761 0.890304 O\n0.226893 0.349900 0.126149 O\n0.703781 0.063047 0.388892 O\n0.123006 0.773107 0.126149 O\n0.773107 0.650100 0.626149 O\n0.064761 0.352568 0.390303 O\n0.352568 0.287805 0.890304 O\n0.359266 0.296219 0.388892 O\n0.640734 0.703781 0.888893 O\n0.647432 0.712194 0.390303 O\n0.650100 0.876994 0.126149 O\n0.349900 0.123006 0.626149 O\n0.063047 0.359266 0.888893 O\n0.876994 0.226893 0.626149 O\n0.287805 0.935239 0.390303 O\n0.296219 0.936952 0.888893 O\n",
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"formula_full": "K6 Sb14 S6 O18",
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{
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"created_at": "2022-09-04T14:36:09.997028Z",
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"structure_string": "Tb24 Al12 Si4\n1.0\n9.939638 -0.092635 -5.183811\n-6.262898 9.259772 -0.842390\n-0.062655 0.092635 11.210012\nTb Al Si\n24 12 4\ndirect\n0.740964 0.570276 0.438370 Tb\n0.836979 0.668489 0.168490 Tb\n0.500000 0.831510 0.668490 Tb\n0.868093 0.438370 0.697406 Tb\n0.868093 0.929723 0.670687 Tb\n0.131906 0.802593 0.061629 Tb\n0.740964 0.670687 0.802593 Tb\n0.259036 0.429724 0.561629 Tb\n0.163020 0.331510 0.831510 Tb\n0.740964 0.302593 0.170687 Tb\n0.868094 0.170687 0.429723 Tb\n0.131906 0.561630 0.302594 Tb\n0.131906 0.070277 0.329312 Tb\n0.868094 0.197406 0.938370 Tb\n0.259036 0.329312 0.197406 Tb\n0.500000 0.649013 0.149013 Tb\n0.500000 0.149013 0.649013 Tb\n0.740964 0.938370 0.070276 Tb\n0.500000 0.168490 0.331510 Tb\n0.500000 0.350987 0.850987 Tb\n0.259035 0.697406 0.829312 Tb\n0.259036 0.061630 0.929723 Tb\n0.131906 0.829312 0.570276 Tb\n0.500000 0.850987 0.350987 Tb\n0.260848 0.880424 0.380424 Al\n0.739151 0.119576 0.619576 Al\n0.500000 0.380424 0.119576 Al\n0.500000 0.617462 0.473764 Al\n0.500000 0.973764 0.117462 Al\n0.500000 0.026236 0.882537 Al\n0.143698 0.117463 0.617462 Al\n0.856301 0.882537 0.382537 Al\n0.143698 0.526236 0.026236 Al\n0.500000 0.382538 0.526236 Al\n0.856301 0.473764 0.973764 Al\n0.500000 0.619576 0.880424 Al\n-0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n-0.000000 0.250000 0.250000 Si\n-0.000000 0.750000 0.750000 Si\n",
"nsites": 40,
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{
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"created_at": "2022-09-04T14:37:39.362825Z",
"updated_at": "2022-09-04T14:37:39.362842Z",
"structure_string": "Zr12 C2 Cl28\n1.0\n9.446717 0.003360 -0.000000\n-1.052497 9.387903 -0.000000\n-0.000000 0.000000 11.527650\nZr C Cl\n12 2 28\ndirect\n0.453899 0.687846 0.882609 Zr\n0.187846 0.953899 0.617391 Zr\n0.312153 0.546100 0.117391 Zr\n0.546100 0.312153 0.117391 Zr\n0.953900 0.187847 0.617391 Zr\n0.812154 0.046100 0.382609 Zr\n0.687847 0.453899 0.882609 Zr\n0.351243 0.351243 0.892584 Zr\n0.148757 0.148757 0.392584 Zr\n0.851243 0.851243 0.607416 Zr\n0.648757 0.648757 0.107416 Zr\n0.046100 0.812153 0.382609 Zr\n0.500000 0.500000 0.000000 C\n0.000000 0.000000 0.500000 C\n0.286234 0.536164 0.749309 Cl\n0.746461 0.253539 0.500000 Cl\n0.753540 0.246460 0.000000 Cl\n0.253539 0.746460 0.500000 Cl\n0.246460 0.753539 0.000000 Cl\n0.842989 0.842988 0.235008 Cl\n0.657011 0.657011 0.735008 Cl\n0.342989 0.342989 0.264992 Cl\n0.157011 0.157011 0.764992 Cl\n0.093597 0.593597 0.250000 Cl\n0.906403 0.406403 0.750000 Cl\n0.593597 0.093597 0.250000 Cl\n0.213766 0.963835 0.249309 Cl\n0.129000 0.379287 0.008724 Cl\n0.879287 0.629000 0.491276 Cl\n0.620713 0.871000 0.991276 Cl\n0.871000 0.620713 0.991276 Cl\n0.629000 0.879287 0.491276 Cl\n0.120713 0.371000 0.508724 Cl\n0.406403 0.906403 0.750000 Cl\n0.963836 0.213766 0.249309 Cl\n0.536164 0.286234 0.749309 Cl\n0.713766 0.463836 0.250691 Cl\n0.786234 0.036164 0.750691 Cl\n0.036164 0.786234 0.750691 Cl\n0.463836 0.713766 0.250691 Cl\n0.371000 0.120713 0.508724 Cl\n0.379287 0.129000 0.008724 Cl\n",
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{
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"structure_string": "Ca12 Sb4 I12\n1.0\n10.362414 -0.000000 -3.663667\n-5.181207 8.974114 -3.663667\n-0.000000 -0.000000 10.991000\nCa Sb I\n12 4 12\ndirect\n0.484525 0.492262 0.242262 Ca\n0.750000 0.242263 0.257737 Ca\n0.750000 0.007737 0.492262 Ca\n0.242262 0.484525 0.492262 Ca\n0.257737 0.750000 0.242262 Ca\n0.015475 0.257737 0.007737 Ca\n0.007737 0.015475 0.257737 Ca\n0.492262 0.750000 0.007737 Ca\n0.492262 0.242263 0.484525 Ca\n0.007737 0.492262 0.750000 Ca\n0.257737 0.007737 0.015475 Ca\n0.242262 0.257737 0.750000 Ca\n0.250000 0.500000 -0.000000 Sb\n-0.000000 0.250000 0.500000 Sb\n0.500000 0.000000 0.250000 Sb\n0.250000 0.250000 0.250000 Sb\n0.250000 0.753853 0.746146 I\n0.507707 0.503853 0.753853 I\n0.992292 0.746147 0.996146 I\n0.746146 0.250000 0.753853 I\n0.996146 0.992292 0.746146 I\n0.249999 0.996146 0.503852 I\n0.753853 0.507707 0.503852 I\n0.503853 0.250000 0.996147 I\n0.753852 0.746147 0.249999 I\n0.746146 0.996146 0.992292 I\n0.996146 0.503853 0.249999 I\n0.503853 0.753853 0.507707 I\n",
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"elements": [
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],
"chemical_system": "Ca-I-Sb",
"density": 4.046722212107735,
"density_atomic": 0.027394810590815288,
"volume": 1022.0913887021951,
"volume_molar": 21.982779329816047,
"formula_full": "Ca12 Sb4 I12",
"formula_reduced": "Ca3SbI3",
"formula_anonymous": "AB3C3",
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"spacegroup": 214
},
{
"id": "jvasp-98812",
"created_at": "2022-09-04T14:35:53.023437Z",
"updated_at": "2022-09-04T14:35:53.023457Z",
"structure_string": "Fe4 Se8 N4 Cl24\n1.0\n9.508113 0.124086 0.000000\n-3.790954 9.377265 0.000000\n0.000000 0.000000 11.402775\nFe Se N Cl\n4 8 4 24\ndirect\n0.328000 0.011930 0.806252 Fe\n0.328000 0.511929 0.693748 Fe\n0.672000 0.488071 0.306252 Fe\n0.672000 0.988070 0.193748 Fe\n0.719571 0.368562 0.677656 Se\n0.280429 0.631438 0.322344 Se\n0.779606 0.445211 0.959371 Se\n0.719571 0.868561 0.822344 Se\n0.779606 0.945210 0.540630 Se\n0.220394 0.054790 0.459370 Se\n0.280429 0.131438 0.177656 Se\n0.220394 0.554789 0.040630 Se\n0.719439 0.858162 0.671357 N\n0.719439 0.358163 0.828644 N\n0.280561 0.641837 0.171357 N\n0.280561 0.141838 0.328644 N\n0.879271 0.081675 0.874773 Cl\n0.367387 0.350119 0.583514 Cl\n0.508543 0.572283 0.830242 Cl\n0.667440 0.302380 0.407596 Cl\n0.508542 0.072284 0.669759 Cl\n0.491458 0.427716 0.169758 Cl\n0.111118 0.424661 0.786194 Cl\n0.491458 0.927716 0.330242 Cl\n0.931965 0.166343 0.582254 Cl\n0.120729 0.918325 0.125228 Cl\n0.931965 0.666343 0.917746 Cl\n0.632613 0.149881 0.083514 Cl\n0.120729 0.418325 0.374773 Cl\n0.068035 0.333657 0.082254 Cl\n0.888882 0.575339 0.213806 Cl\n0.367387 0.850119 0.916486 Cl\n0.888882 0.075340 0.286194 Cl\n0.068035 0.833657 0.417746 Cl\n0.879271 0.581675 0.625228 Cl\n0.632613 0.649881 0.416486 Cl\n0.332560 0.697620 0.592404 Cl\n0.332560 0.197621 0.907597 Cl\n0.667440 0.802379 0.092404 Cl\n0.111118 0.924660 0.713807 Cl\n",
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"elements": [
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],
"chemical_system": "Cl-Fe-N-Se",
"density": 2.8627173794190846,
"density_atomic": 0.0391375485531619,
"volume": 1022.0364197227785,
"volume_molar": 15.38711795354253,
"formula_full": "Fe4 Se8 N4 Cl24",
"formula_reduced": "FeSe2NCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 14
},
{
"id": "jvasp-98891",
"created_at": "2022-09-04T14:35:53.439341Z",
"updated_at": "2022-09-04T14:35:53.439369Z",
"structure_string": "P10 Br20 N10\n1.0\n8.605465 0.058442 -3.605376\n-1.505949 10.047604 -2.006667\n-0.024956 -0.021976 11.820495\nP Br N\n10 20 10\ndirect\n0.614556 0.314538 0.407573 P\n0.354143 0.521231 0.754698 P\n0.166769 0.706593 0.831932 P\n0.833230 0.293406 0.168067 P\n0.385443 0.685461 0.592426 P\n0.691167 0.040241 0.336665 P\n0.192837 0.995139 0.861049 P\n0.308832 0.959758 0.663334 P\n0.807162 0.004860 0.138950 P\n0.645856 0.478768 0.245301 P\n0.039417 0.947206 0.152940 Br\n0.537568 0.094952 0.745131 Br\n0.410780 0.520499 0.126676 Br\n0.973163 0.384760 0.079303 Br\n0.007709 0.330977 0.369953 Br\n0.635102 0.852997 0.978854 Br\n0.806939 0.008170 0.528428 Br\n0.364897 0.147002 0.021145 Br\n0.363048 0.278233 0.372385 Br\n0.262209 0.645692 0.384349 Br\n0.200824 0.328759 0.701679 Br\n0.193060 0.991829 0.471571 Br\n0.737790 0.354307 0.615650 Br\n0.462430 0.905047 0.254868 Br\n0.799175 0.671240 0.298320 Br\n0.636951 0.721766 0.627614 Br\n0.589219 0.479499 0.873324 Br\n0.960582 0.052793 0.847059 Br\n0.026835 0.615239 0.920696 Br\n0.992290 0.669022 0.630046 Br\n0.337965 0.810949 0.662367 N\n0.201469 0.011827 0.733499 N\n0.350731 0.549874 0.626998 N\n0.313186 0.630827 0.847240 N\n0.786200 0.141613 0.098211 N\n0.213798 0.858386 0.901789 N\n0.649267 0.450125 0.373001 N\n0.662033 0.189050 0.337632 N\n0.798530 0.988172 0.266500 N\n0.686813 0.369172 0.152759 N\n",
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],
"chemical_system": "Br-N-P",
"density": 3.3283952356319064,
"density_atomic": 0.03915076938429375,
"volume": 1021.6912880401002,
"volume_molar": 15.38192187460797,
"formula_full": "P10 Br20 N10",
"formula_reduced": "PBr2N",
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"spacegroup": 2
},
{
"id": "jvasp-81240",
"created_at": "2022-09-04T14:37:17.798409Z",
"updated_at": "2022-09-04T14:37:17.798429Z",
"structure_string": "Li2 Mg1 Ga1\n1.0\n-9.969821 -0.000000 -5.756079\n-9.817514 -0.082601 5.492276\n-6.556840 9.139978 -0.155378\nLi Mg Ga\n2 1 1\ndirect\n0.736978 -0.000000 -0.000000 Li\n0.263022 -0.000000 -0.000000 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 -0.000000 -0.000000 Ga\n",
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"volume": 1019.971085119477,
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"formula_full": "Li2 Mg1 Ga1",
"formula_reduced": "Li2MgGa",
"formula_anonymous": "ABC2",
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"spacegroup": 71
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]
}