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{
"id": "jvasp-86226",
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"updated_at": "2022-09-04T14:36:09.273437Z",
"structure_string": "Ca3 B6 Rh8\n1.0\n5.260690 -0.000000 1.697295\n2.630345 4.883838 0.848647\n0.002078 -0.000000 8.994841\nCa B Rh\n3 6 8\ndirect\n0.681579 0.000000 0.636842 Ca\n0.318422 0.000000 0.363157 Ca\n0.500000 0.000000 -0.000000 Ca\n0.832919 0.334162 -0.000000 B\n0.986964 0.682479 0.343590 B\n0.167080 0.665838 0.000000 B\n0.013035 0.317522 0.656409 B\n0.330556 0.682479 0.656409 B\n0.669443 0.317522 0.343590 B\n0.913221 0.000000 0.173559 Rh\n0.415108 0.500000 0.169783 Rh\n0.086780 0.000000 0.826441 Rh\n0.584892 0.500000 0.830216 Rh\n0.915108 0.500000 0.169783 Rh\n0.084892 0.500000 0.830217 Rh\n0.750000 0.500000 0.500000 Rh\n0.250000 0.500000 0.500000 Rh\n",
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{
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"structure_string": "Ti1 H8 N2 F6\n1.0\n5.744137 -0.000320 0.001565\n-2.872345 4.975047 0.000000\n-0.001545 -0.000892 5.005563\nTi H N F\n1 8 2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.431460 0.568605 0.253063 H\n0.431459 0.862855 0.253063 H\n0.666881 0.333440 0.472856 H\n0.333122 0.666561 0.527144 H\n0.568543 0.137146 0.746937 H\n0.862841 0.431420 0.747200 H\n0.137162 0.568581 0.252801 H\n0.568543 0.431396 0.746937 H\n0.333295 0.666647 0.320650 N\n0.666708 0.333354 0.679351 N\n0.315482 0.157741 0.212563 F\n0.157878 0.842272 0.787641 F\n0.684520 0.842260 0.787438 F\n0.157877 0.315605 0.787641 F\n0.842125 0.157729 0.212359 F\n0.842126 0.684396 0.212359 F\n",
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{
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"updated_at": "2022-09-04T14:36:14.179967Z",
"structure_string": "Li5 Ti1 V3 O8\n1.0\n4.074848 -0.000959 -0.000130\n-2.035734 6.156949 0.074127\n-0.000183 -1.991987 6.118572\nLi Ti V O\n5 1 3 8\ndirect\n0.941759 0.896709 0.641720 Li\n0.810490 0.634184 0.008995 Li\n0.172283 0.357839 0.004826 Li\n0.495911 0.005061 0.003768 Li\n0.047109 0.107485 0.359686 Li\n0.277858 0.568841 0.678264 Ti\n0.710746 0.434833 0.338801 V\n0.611806 0.236883 0.674129 V\n0.379121 0.771431 0.325827 V\n0.651604 0.316472 0.005523 O\n0.880205 0.773605 0.324655 O\n0.440567 0.894343 0.664277 O\n0.784203 0.581548 0.682849 O\n0.333421 0.680039 0.997850 O\n0.209230 0.431791 0.333336 O\n0.545302 0.103860 0.336657 O\n0.108557 0.230378 0.679281 O\n",
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{
"id": "jvasp-120609",
"created_at": "2022-09-04T14:38:53.528116Z",
"updated_at": "2022-09-04T14:38:53.528132Z",
"structure_string": "Tb4 Sb6 Rh7\n1.0\n7.183375 -0.000000 -2.539707\n-3.591688 6.220985 -2.539707\n-0.000000 -0.000000 7.619120\nTb Sb Rh\n4 6 7\ndirect\n0.500000 0.000000 -0.000000 Tb\n0.000000 0.500000 -0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.316394 0.316394 -0.000000 Sb\n0.000000 0.683607 0.683606 Sb\n0.316394 0.000000 0.316394 Sb\n0.683607 0.000000 0.683606 Sb\n0.000000 0.316394 0.316394 Sb\n0.683607 0.683607 -0.000000 Sb\n0.500000 0.250000 0.750000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.750001 0.250000 Rh\n0.750001 0.500000 0.250000 Rh\n0.250000 0.750001 0.500000 Rh\n0.250000 0.500000 0.750000 Rh\n0.750001 0.250000 0.500000 Rh\n",
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{
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"created_at": "2022-09-04T14:36:12.332484Z",
"updated_at": "2022-09-04T14:36:12.332504Z",
"structure_string": "Li5 Mn1 Cr3 O8\n1.0\n-2.900396 -1.694998 -4.820333\n-5.875406 -0.018954 -0.013465\n2.900396 5.109642 0.013465\nLi Mn Cr O\n5 1 3 8\ndirect\n0.930373 0.930377 0.069625 Li\n0.999997 0.500000 0.000002 Li\n0.499998 1.000000 0.000002 Li\n0.069626 0.069624 0.930375 Li\n0.999997 1.000000 0.500001 Li\n0.500000 0.500001 0.500000 Mn\n-0.000000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.499999 0.500001 -0.000000 Cr\n0.729185 0.258464 0.741535 O\n0.744002 0.744005 0.255997 O\n0.270814 0.741537 0.258465 O\n0.741535 0.741536 0.729185 O\n0.741535 0.270815 0.258464 O\n0.258464 0.729186 0.741536 O\n0.258464 0.258465 0.270815 O\n0.255997 0.255996 0.744003 O\n",
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],
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"formula_full": "Li5 Mn1 Cr3 O8",
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{
"id": "jvasp-11427",
"created_at": "2022-09-04T14:36:34.413423Z",
"updated_at": "2022-09-04T14:36:34.413449Z",
"structure_string": "Na6 S2 O9\n1.0\n5.919895 0.000000 3.417852\n1.973298 5.581330 3.417852\n0.000000 0.000000 6.835706\nNa S O\n6 2 9\ndirect\n0.762911 0.762912 0.237088 Na\n0.237088 0.762912 0.762912 Na\n0.762911 0.237088 0.237088 Na\n0.237088 0.762912 0.237088 Na\n0.762911 0.237088 0.762912 Na\n0.237088 0.237088 0.762912 Na\n0.250000 0.250000 0.250000 S\n0.750000 0.750000 0.750000 S\n0.000000 0.000000 0.000000 O\n0.661167 0.661167 0.661167 O\n0.016499 0.661167 0.661167 O\n0.983501 0.338833 0.338833 O\n0.338833 0.983501 0.338833 O\n0.338833 0.338833 0.338833 O\n0.661167 0.661167 0.016498 O\n0.661167 0.016499 0.661168 O\n0.338833 0.338833 0.983502 O\n",
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"formula_full": "Na6 S2 O9",
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},
{
"id": "jvasp-86936",
"created_at": "2022-09-04T14:36:19.737164Z",
"updated_at": "2022-09-04T14:36:19.737188Z",
"structure_string": "K2 La2 Ti3 O10\n1.0\n3.867973 -0.000000 -0.498613\n-0.064275 3.867439 -0.498613\n-0.013555 -0.013782 15.147000\nK La Ti O\n2 2 3 10\ndirect\n0.707970 0.707972 0.415942 K\n0.292029 0.292029 0.584059 K\n0.571784 0.571785 0.143570 La\n0.428215 0.428215 0.856430 La\n0.000000 0.000000 0.000000 Ti\n0.859048 0.859050 0.718099 Ti\n0.140951 0.140951 0.281901 Ti\n0.064704 0.064704 0.129408 O\n0.799840 0.799842 0.599683 O\n0.935295 0.935297 0.870593 O\n0.627390 0.127390 0.254780 O\n0.127389 0.627390 0.254780 O\n0.372610 0.872611 0.745220 O\n0.872610 0.372610 0.745220 O\n0.200159 0.200159 0.400318 O\n0.500000 0.000000 0.000000 O\n-0.000001 0.500000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:34.194937Z",
"updated_at": "2022-09-04T14:36:34.194950Z",
"structure_string": "Li1 Sb1 Te3 O12\n1.0\n0.000000 4.815987 -0.009497\n8.538039 0.000000 0.000000\n0.000000 -0.031960 -5.232938\nLi Sb Te O\n1 1 3 12\ndirect\n0.500000 0.793482 0.500000 Li\n0.000000 0.902577 0.000000 Sb\n0.500000 0.583777 0.000000 Te\n0.500000 0.397961 0.500000 Te\n-0.000000 0.086759 0.500000 Te\n0.783268 0.070171 0.806575 O\n0.246234 0.248293 0.645407 O\n0.222217 0.922140 0.676783 O\n0.289145 0.572892 0.677940 O\n0.710856 0.572892 0.322061 O\n0.753767 0.248293 0.354594 O\n0.738824 0.741913 0.851224 O\n0.216732 0.070171 0.193426 O\n0.261176 0.741913 0.148777 O\n0.284503 0.418673 0.183241 O\n0.777784 0.922140 0.323218 O\n0.715497 0.418673 0.816760 O\n",
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"created_at": "2022-09-04T14:36:17.686144Z",
"updated_at": "2022-09-04T14:36:17.686160Z",
"structure_string": "Rb3 Cu8 S6\n1.0\n3.902618 0.000000 0.000000\n-1.951309 8.610497 -2.401397\n0.000000 -0.152113 9.897653\nRb Cu S\n3 8 6\ndirect\n0.309520 0.619040 0.697992 Rb\n0.690480 0.380961 0.302008 Rb\n0.500000 0.000000 0.000000 Rb\n0.480462 0.960926 0.358116 Cu\n0.905470 0.810940 0.201755 Cu\n0.696196 0.392390 0.909509 Cu\n0.093133 0.186265 0.537039 Cu\n0.094530 0.189060 0.798244 Cu\n0.906868 0.813735 0.462960 Cu\n0.519538 0.039075 0.641883 Cu\n0.303805 0.607611 0.090491 Cu\n0.345995 0.691990 0.352412 S\n0.654006 0.308011 0.647587 S\n0.836175 0.672351 0.977785 S\n0.038201 0.076401 0.299045 S\n0.961800 0.923599 0.700955 S\n0.163825 0.327650 0.022214 S\n",
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"updated_at": "2022-09-04T14:36:19.629727Z",
"structure_string": "Li5 Fe4 O8\n1.0\n5.806513 0.046803 0.033175\n2.915928 5.021468 0.033175\n2.915928 1.694332 4.727101\nLi Fe O\n5 4 8\ndirect\n0.964777 0.553519 0.964778 Li\n0.964777 0.964776 0.553523 Li\n0.128180 0.128180 0.128180 Li\n0.553521 0.964776 0.964778 Li\n0.487206 0.487205 0.487207 Li\n0.491018 0.986577 0.491020 Fe\n0.491018 0.491017 0.986579 Fe\n0.981117 0.981116 0.981119 Fe\n0.986578 0.491017 0.491020 Fe\n0.745111 0.745111 0.250151 O\n0.251990 0.251989 0.251990 O\n0.227053 0.227052 0.737250 O\n0.227053 0.737249 0.227054 O\n0.737249 0.227052 0.227054 O\n0.250150 0.745111 0.745112 O\n0.745111 0.250149 0.745112 O\n0.731781 0.731780 0.731783 O\n",
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"updated_at": "2022-09-04T14:36:11.417062Z",
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"created_at": "2022-09-04T14:36:12.078254Z",
"updated_at": "2022-09-04T14:36:12.078280Z",
"structure_string": "Ba4 Zr3 S10\n1.0\n4.973573 0.008377 -0.689001\n-0.103874 4.972495 -0.689001\n-0.007132 -0.007295 18.243751\nBa Zr S\n4 3 10\ndirect\n0.699882 0.699882 0.399764 Ba\n0.567706 0.567705 0.135411 Ba\n0.432295 0.432295 0.864589 Ba\n0.300119 0.300119 0.600236 Ba\n0.142875 0.142875 0.285749 Zr\n0.857126 0.857126 0.714251 Zr\n0.000000 0.000000 0.000000 Zr\n0.786875 0.786875 0.573750 S\n0.860980 0.360981 0.721960 S\n0.213126 0.213126 0.426250 S\n0.500000 0.000000 0.000000 S\n0.000000 0.500000 0.000000 S\n0.360981 0.860980 0.721960 S\n0.139020 0.639020 0.278040 S\n0.639020 0.139020 0.278040 S\n0.929535 0.929535 0.859071 S\n0.070465 0.070465 0.140929 S\n",
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]
}