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{
"id": "jvasp-120564",
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"structure_string": "Ti2 Al2 W4 O16\n1.0\n5.563548 -0.000000 0.000000\n-0.000000 4.383942 2.254647\n0.000000 -0.216014 10.236605\nTi Al W O\n2 2 4 16\ndirect\n0.374152 0.500000 0.750000 Ti\n0.625848 0.500000 0.250000 Ti\n0.648208 0.000001 0.750000 Al\n0.351792 0.000000 0.250000 Al\n0.134127 0.222537 0.505699 W\n0.134127 0.777463 0.994301 W\n0.865873 0.777463 0.494301 W\n0.865873 0.222537 0.005699 W\n0.123182 0.295845 0.115919 O\n0.876818 0.704156 0.884082 O\n0.354735 0.212278 0.362655 O\n0.354735 0.787722 0.137346 O\n0.645266 0.787723 0.637346 O\n0.645266 0.212278 0.862655 O\n0.141734 0.220543 0.871444 O\n0.609982 0.731260 0.365267 O\n0.858266 0.779458 0.128557 O\n0.858266 0.220542 0.371444 O\n0.876818 0.295845 0.615919 O\n0.609982 0.268740 0.134734 O\n0.390019 0.268741 0.634734 O\n0.390019 0.731260 0.865267 O\n0.141734 0.779458 0.628557 O\n0.123182 0.704155 0.384082 O\n",
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{
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"structure_string": "Ba6 Al6 N10\n1.0\n5.814791 -0.005311 -1.126054\n-1.366943 7.081934 -2.452147\n0.000530 -0.001839 8.845824\nBa Al N\n6 6 10\ndirect\n0.807221 0.426174 0.607980 Ba\n0.192780 0.573825 0.392020 Ba\n0.665456 0.855310 0.881161 Ba\n0.334544 0.144689 0.118838 Ba\n0.662484 0.658320 0.216270 Ba\n0.337516 0.341680 0.783730 Ba\n0.900210 0.107687 0.292092 Al\n0.302401 0.029434 0.419331 Al\n0.099790 0.892312 0.707907 Al\n0.085067 0.680423 0.022886 Al\n0.914933 0.319576 0.977114 Al\n0.697599 0.970566 0.580669 Al\n0.187792 0.780250 0.868755 N\n0.936520 0.111234 0.781690 N\n0.063480 0.888766 0.218309 N\n0.819971 0.744670 0.545346 N\n0.180029 0.255329 0.454653 N\n0.781599 0.515705 0.921410 N\n0.218401 0.484294 0.078589 N\n0.369368 0.953338 0.610602 N\n0.630632 0.046662 0.389398 N\n0.812208 0.219749 0.131245 N\n",
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{
"id": "jvasp-120562",
"created_at": "2022-09-04T14:38:51.295965Z",
"updated_at": "2022-09-04T14:38:51.295977Z",
"structure_string": "Sm1 Mg2 Cr3 S8\n1.0\n6.386243 -0.009461 3.846197\n2.178858 6.003619 3.844052\n-0.004288 -0.001525 7.454615\nSm Mg Cr S\n1 2 3 8\ndirect\n0.500003 0.499990 0.500007 Sm\n0.875238 0.875201 0.875208 Mg\n0.124758 0.124804 0.124789 Mg\n0.499998 0.500004 0.000001 Cr\n0.000002 0.500002 0.499996 Cr\n0.499999 -0.000000 0.499999 Cr\n0.737149 0.737229 0.737216 S\n0.241142 0.241210 0.723126 S\n0.241158 0.723127 0.241216 S\n0.723110 0.241168 0.241158 S\n0.758847 0.276873 0.758792 S\n0.276886 0.758834 0.758842 S\n0.262852 0.262774 0.262778 S\n0.758856 0.758788 0.276870 S\n",
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{
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"created_at": "2022-09-04T14:38:45.750057Z",
"updated_at": "2022-09-04T14:38:45.750083Z",
"structure_string": "Mg4 Cu4 N4\n1.0\n7.676350 -0.000000 0.000000\n0.000000 3.279371 0.000000\n-0.000000 0.000000 5.468894\nMg Cu N\n4 4 4\ndirect\n0.646839 0.250000 0.413729 Mg\n0.146839 0.250000 0.086271 Mg\n0.353161 0.750000 0.586271 Mg\n0.853161 0.750000 0.913728 Mg\n0.569854 0.250000 0.873754 Cu\n0.069854 0.250000 0.626245 Cu\n0.430146 0.750000 0.126245 Cu\n0.930146 0.750000 0.373755 Cu\n0.865909 0.250000 0.175708 N\n0.365908 0.250000 0.324292 N\n0.134092 0.750000 0.824291 N\n0.634092 0.750000 0.675708 N\n",
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{
"id": "jvasp-120560",
"created_at": "2022-09-04T14:38:51.211918Z",
"updated_at": "2022-09-04T14:38:51.211938Z",
"structure_string": "Ba10 Sn4 N12\n1.0\n6.634779 0.042261 -0.849663\n-4.016894 6.054356 0.000000\n-0.089552 -0.059415 14.638233\nBa Sn N\n10 4 12\ndirect\n0.096004 0.772775 0.991991 Ba\n0.903997 0.676772 0.508009 Ba\n0.903997 0.227225 0.008009 Ba\n0.096003 0.323228 0.491991 Ba\n0.315426 0.069282 0.713211 Ba\n0.684575 0.753857 0.786789 Ba\n0.684575 0.930718 0.286789 Ba\n0.315426 0.246143 0.213211 Ba\n0.000000 0.375269 0.750000 Ba\n0.000001 0.624731 0.250000 Ba\n0.558092 0.664795 0.074944 Sn\n0.441909 0.106703 0.425056 Sn\n0.558092 0.893297 0.574944 Sn\n0.441909 0.335204 0.925056 Sn\n0.392219 0.779308 0.432765 N\n0.902922 0.973946 0.624326 N\n0.097079 0.071025 0.875674 N\n0.097079 0.026053 0.375674 N\n0.902922 0.928975 0.124326 N\n0.288462 0.693719 0.653635 N\n0.711539 0.405257 0.846365 N\n0.711539 0.306281 0.346365 N\n0.288462 0.594742 0.153635 N\n0.607782 0.220692 0.567235 N\n0.392218 0.612909 0.932765 N\n0.607782 0.387090 0.067235 N\n",
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{
"id": "jvasp-12056",
"created_at": "2022-09-04T14:36:05.025822Z",
"updated_at": "2022-09-04T14:36:05.025847Z",
"structure_string": "Ni1 Te1 O4\n1.0\n4.727734 -0.149569 -0.091341\n7.783728 5.629349 -0.223278\n7.783728 4.000877 2.443313\nNi Te O\n1 1 4\ndirect\n0.500000 0.500001 0.499999 Ni\n0.500000 0.000000 0.500000 Te\n0.214716 0.000000 0.246771 O\n0.281408 0.500001 0.227959 O\n0.785283 0.000001 0.753228 O\n0.718592 0.500001 0.772040 O\n",
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{
"id": "jvasp-120559",
"created_at": "2022-09-04T14:38:52.745967Z",
"updated_at": "2022-09-04T14:38:52.746003Z",
"structure_string": "Mg4 Ru4 N8\n1.0\n5.754520 -0.000000 0.000000\n0.000000 6.535805 0.000000\n-0.000000 -0.000000 5.343052\nMg Ru N\n4 4 8\ndirect\n0.591993 0.875108 0.999143 Mg\n0.408006 0.124892 0.499143 Mg\n0.908006 0.375108 0.499143 Mg\n0.091994 0.624893 0.999143 Mg\n0.571015 0.361685 0.009601 Ru\n0.428985 0.638316 0.509601 Ru\n0.928985 0.861685 0.509601 Ru\n0.071015 0.138316 0.009601 Ru\n0.569370 0.390753 0.366544 N\n0.430630 0.609248 0.866544 N\n0.930630 0.890753 0.866544 N\n0.069370 0.109248 0.366544 N\n0.608028 0.871371 0.394712 N\n0.391972 0.128630 0.894711 N\n0.891972 0.371371 0.894711 N\n0.108028 0.628630 0.394712 N\n",
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{
"id": "jvasp-120558",
"created_at": "2022-09-04T14:38:45.659604Z",
"updated_at": "2022-09-04T14:38:45.659629Z",
"structure_string": "Zn4 Ag4 N4\n1.0\n4.203041 0.000000 -3.498257\n0.000000 6.414515 0.000000\n-0.001006 -0.000000 6.997465\nZn Ag N\n4 4 4\ndirect\n0.500009 0.388560 0.819595 Zn\n0.499989 0.888560 0.680403 Zn\n0.499990 0.611441 0.180404 Zn\n0.500010 0.111441 0.319595 Zn\n0.000014 0.249997 0.827002 Ag\n-0.000016 0.749998 0.672996 Ag\n-0.000015 0.750003 0.172997 Ag\n0.000015 0.250003 0.327003 Ag\n0.499983 0.687674 0.886832 N\n0.500016 0.187673 0.613166 N\n0.500016 0.312327 0.113166 N\n0.499983 0.812328 0.386833 N\n",
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{
"id": "jvasp-120557",
"created_at": "2022-09-04T14:38:45.631582Z",
"updated_at": "2022-09-04T14:38:45.631614Z",
"structure_string": "Ca10 Cd2 N8\n1.0\n8.087126 -0.000000 0.000000\n0.000000 7.551430 0.000000\n-0.000000 -0.000000 5.897020\nCa Cd N\n10 2 8\ndirect\n0.550737 0.502985 0.246314 Ca\n0.750000 0.750000 0.711852 Ca\n0.050737 0.002985 0.753686 Ca\n0.449264 0.002985 0.753686 Ca\n0.050737 0.497015 0.753686 Ca\n0.250000 0.250000 0.288148 Ca\n0.949264 0.997015 0.246314 Ca\n0.550737 0.997015 0.246314 Ca\n0.949264 0.502985 0.246314 Ca\n0.449264 0.497015 0.753686 Ca\n0.750000 0.250000 0.711526 Cd\n0.250000 0.750000 0.288474 Cd\n0.496123 0.250000 0.500097 N\n0.750000 0.998833 0.945056 N\n0.750000 0.501167 0.945056 N\n0.250000 0.001167 0.054944 N\n0.250000 0.498833 0.054944 N\n0.503877 0.750000 0.499903 N\n0.996123 0.750000 0.499903 N\n0.003877 0.250000 0.500097 N\n",
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"structure_string": "Ti4 Cr4 Cu4 S16\n1.0\n5.862843 -0.000000 0.000000\n0.000000 6.826013 0.000000\n0.000000 -0.000000 12.325099\nTi Cr Cu S\n4 4 4 16\ndirect\n0.500000 0.250000 0.250000 Ti\n0.500000 0.750000 0.750000 Ti\n0.500000 0.750000 0.250000 Ti\n0.500000 0.250000 0.750000 Ti\n0.998150 0.000000 0.247059 Cr\n0.998150 0.000000 0.752941 Cr\n0.001849 0.500000 0.252941 Cr\n0.001849 0.500000 0.747059 Cr\n0.967038 0.500000 -0.000000 Cu\n0.032961 0.000000 0.500000 Cu\n0.639895 0.500000 0.500000 Cu\n0.360105 0.000000 -0.000000 Cu\n0.327198 0.000000 0.636366 S\n0.327198 0.000000 0.363634 S\n0.334967 0.500000 0.635320 S\n0.334967 0.500000 0.364680 S\n0.665032 0.000000 0.864680 S\n0.665032 0.000000 0.135320 S\n0.838921 0.252568 0.634437 S\n0.838921 0.747431 0.634437 S\n0.161079 0.752568 0.865563 S\n0.161079 0.247431 0.134437 S\n0.161079 0.247431 0.865563 S\n0.161079 0.752568 0.134437 S\n0.672802 0.500000 0.136366 S\n0.838921 0.252568 0.365563 S\n0.838921 0.747431 0.365563 S\n0.672802 0.500000 0.863634 S\n",
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{
"id": "jvasp-120554",
"created_at": "2022-09-04T14:38:45.491339Z",
"updated_at": "2022-09-04T14:38:45.491365Z",
"structure_string": "Nb4 O9\n1.0\n4.749720 -0.014869 -1.663073\n-0.691441 5.303838 -1.539431\n0.045821 -0.083799 6.965668\nNb O\n4 9\ndirect\n0.368616 0.258336 0.279252 Nb\n0.157240 0.213445 0.736641 Nb\n0.601609 0.723286 0.701990 Nb\n0.889963 0.753201 0.265117 Nb\n0.127088 0.129606 0.412755 O\n0.257443 0.645698 0.406390 O\n0.871719 0.878930 0.595525 O\n0.872077 0.717652 0.974158 O\n0.098703 0.256968 0.002506 O\n0.310445 0.546574 0.772899 O\n0.567517 0.979161 0.241299 O\n0.665292 0.464887 0.230211 O\n0.486280 0.060273 0.791945 O\n",
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"volume": 175.10185247246196,
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"spacegroup": 1
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{
"id": "jvasp-120553",
"created_at": "2022-09-04T14:38:45.436278Z",
"updated_at": "2022-09-04T14:38:45.436308Z",
"structure_string": "Ag4 Hg4 S4 Br1 Cl3\n1.0\n4.523090 -0.004324 0.004703\n0.006751 6.901585 0.033823\n0.002323 0.003083 12.992741\nAg Hg S Br Cl\n4 4 4 1 3\ndirect\n-0.000863 0.791415 0.460286 Ag\n0.000946 0.208780 0.541747 Ag\n0.001209 0.291823 0.042169 Ag\n0.998701 0.700468 0.951448 Ag\n0.499985 0.623132 0.244786 Hg\n0.500024 0.374834 0.756181 Hg\n0.500300 0.125474 0.262602 Hg\n0.499675 0.876512 0.740134 Hg\n0.499526 0.857760 0.385180 S\n0.500544 0.140694 0.616874 S\n0.500754 0.359808 0.121287 S\n0.499122 0.638598 0.878672 S\n0.000646 0.873328 0.133513 Br\n-0.000540 0.137982 0.863052 Cl\n0.999709 0.370315 0.365356 Cl\n0.000255 0.629081 0.636707 Cl\n",
"nsites": 16,
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"formula_full": "Ag4 Hg4 S4 Br1 Cl3",
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}
]
}