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{
"id": "jvasp-118408",
"created_at": "2022-09-04T14:38:51.298500Z",
"updated_at": "2022-09-04T14:38:51.298524Z",
"structure_string": "H1 F2\n1.0\n3.108256 -0.007535 0.362172\n0.905685 -3.556394 -0.155065\n-1.247964 0.093054 -2.832292\nH F\n1 2\ndirect\n0.823919 0.112697 0.152877 H\n0.607223 0.902410 0.849196 F\n0.029708 0.313095 0.441324 F\n",
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{
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"structure_string": "Li8 Cr2 F12\n1.0\n4.897278 0.000000 0.000000\n-0.000000 4.420968 2.078937\n-0.000000 -0.022660 10.067816\nLi Cr F\n8 2 12\ndirect\n0.548612 0.109527 0.359661 Li\n0.948103 0.772908 0.711784 Li\n0.048612 0.890473 0.140340 Li\n0.551898 0.772908 0.211784 Li\n0.448102 0.227092 0.788216 Li\n0.951388 0.109527 0.859661 Li\n0.051898 0.227092 0.288216 Li\n0.451388 0.890473 0.640340 Li\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.254295 0.197120 0.478899 F\n0.754295 0.802881 0.021101 F\n0.729238 0.103676 0.697512 F\n0.786605 0.463236 0.339622 F\n0.213395 0.536764 0.660379 F\n0.770763 0.103676 0.197512 F\n0.245705 0.197120 0.978899 F\n0.745705 0.802881 0.521102 F\n0.713395 0.463236 0.839622 F\n0.286605 0.536764 0.160379 F\n0.270763 0.896325 0.302489 F\n0.229237 0.896325 0.802489 F\n",
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{
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"structure_string": "V4 C3\n1.0\n2.884540 -0.005231 9.054141\n1.403070 2.520316 9.054141\n-0.008917 -0.005231 9.502524\nV C\n4 3\ndirect\n0.877243 0.877246 0.877244 V\n0.122755 0.122756 0.122756 V\n0.374740 0.374741 0.374740 V\n0.625258 0.625261 0.625259 V\n0.254427 0.254428 0.254427 C\n0.499999 0.500001 0.500000 C\n0.745571 0.745574 0.745572 C\n",
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{
"id": "jvasp-39425",
"created_at": "2022-09-04T14:37:45.566702Z",
"updated_at": "2022-09-04T14:37:45.566725Z",
"structure_string": "K1 Si1 O3\n1.0\n3.673898 -0.000000 -0.000000\n0.000000 3.673898 -0.000000\n0.000000 0.000000 3.673898\nK Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"volume": 49.58853566621582,
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"formula_full": "K1 Si1 O3",
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},
{
"id": "jvasp-50078",
"created_at": "2022-09-04T14:36:45.799458Z",
"updated_at": "2022-09-04T14:36:45.799477Z",
"structure_string": "Li2 Cu2 P2 O8\n1.0\n4.897172 -0.071606 -0.000000\n1.803202 4.553666 -0.000000\n0.000000 0.000000 6.190348\nLi Cu P O\n2 2 2 8\ndirect\n0.327105 0.327106 0.750000 Li\n0.672894 0.672894 0.250000 Li\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.349257 0.349257 0.250000 P\n0.650742 0.650743 0.750000 P\n0.242236 0.242237 0.044014 O\n0.242236 0.242237 0.455986 O\n0.245181 0.691658 0.250000 O\n0.308342 0.754819 0.750000 O\n0.691657 0.245181 0.250000 O\n0.754818 0.308342 0.750000 O\n0.757763 0.757763 0.955987 O\n0.757763 0.757763 0.544014 O\n",
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{
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"created_at": "2022-09-04T14:38:44.120785Z",
"updated_at": "2022-09-04T14:38:44.120814Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n4.034112 0.081353 -0.015545\n0.685990 4.746549 0.112427\n-0.076956 0.141706 6.756257\nZn H C O\n1 4 4 4\ndirect\n0.101517 0.626775 0.714418 Zn\n0.045747 0.106436 0.142364 H\n0.639186 0.092161 0.225813 H\n0.969363 0.626194 0.211500 H\n0.563556 0.608220 0.300904 H\n0.984819 0.125304 0.456524 C\n0.856540 0.201088 0.245722 C\n0.754769 0.516658 0.196668 C\n0.600952 0.575993 0.991013 C\n0.138093 0.868380 0.484459 O\n0.927981 0.297615 0.592883 O\n0.693396 0.762894 0.872595 O\n0.364318 0.442179 0.943437 O\n",
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"elements": [
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],
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"density": 2.337540766970893,
"density_atomic": 0.10083746101547028,
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"formula_anonymous": "AB4C4D4",
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"spacegroup": 1
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{
"id": "jvasp-43511",
"created_at": "2022-09-04T14:37:17.428230Z",
"updated_at": "2022-09-04T14:37:17.428254Z",
"structure_string": "Mg4 Co4 O12\n1.0\n4.646299 4.245109 0.945757\n-4.646299 4.245109 -0.945757\n-0.623837 0.000000 4.900827\nMg Co O\n4 4 12\ndirect\n0.178624 0.606254 0.775133 Mg\n0.393748 0.821376 0.275133 Mg\n0.606254 0.178625 0.724867 Mg\n0.821376 0.393748 0.224867 Mg\n0.084222 0.084222 0.750000 Co\n0.736575 0.736576 0.750000 Co\n0.263425 0.263425 0.250000 Co\n0.915778 0.915778 0.250000 Co\n0.884787 0.663635 0.043953 O\n0.724700 0.471136 0.605271 O\n0.336365 0.115214 0.543953 O\n0.528865 0.275301 0.105270 O\n0.471135 0.724700 0.894730 O\n0.185100 0.980236 0.070695 O\n0.275300 0.528865 0.394730 O\n0.115213 0.336365 0.956048 O\n0.814900 0.019765 0.929306 O\n0.019765 0.814901 0.570695 O\n0.663635 0.884787 0.456048 O\n0.980236 0.185100 0.429306 O\n",
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"formula_anonymous": "ABC3",
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},
{
"id": "jvasp-48580",
"created_at": "2022-09-04T14:35:59.529362Z",
"updated_at": "2022-09-04T14:35:59.529387Z",
"structure_string": "Li6 Mn2 F12\n1.0\n0.000000 5.035518 -0.006001\n5.128890 0.000000 0.000000\n0.000000 -4.744081 -7.673841\nLi Mn F\n6 2 12\ndirect\n0.500000 0.000000 0.500000 Li\n0.731397 0.464109 0.750960 Li\n0.500000 0.500000 -0.000000 Li\n0.268603 0.964109 0.749040 Li\n0.731397 0.035891 0.250960 Li\n0.268603 0.535891 0.249040 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.248606 0.333926 0.428851 F\n0.751394 0.833927 0.071149 F\n0.080454 0.815016 0.427879 F\n0.385650 0.595986 0.753546 F\n0.614350 0.404014 0.246454 F\n0.080454 0.684984 0.927879 F\n0.248606 0.166074 0.928851 F\n0.751394 0.666074 0.571148 F\n0.919546 0.315016 0.072121 F\n0.385650 0.904014 0.253546 F\n0.919546 0.184984 0.572121 F\n0.614350 0.095986 0.746454 F\n",
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{
"id": "jvasp-42285",
"created_at": "2022-09-04T14:35:49.461310Z",
"updated_at": "2022-09-04T14:35:49.461328Z",
"structure_string": "Co6 O7 F5\n1.0\n4.542500 -0.290792 -0.000000\n-0.290792 4.542500 0.000000\n0.000000 -0.000000 8.686272\nCo O F\n6 7 5\ndirect\n0.009782 0.990219 0.007795 Co\n0.009782 0.990219 0.325538 Co\n0.001416 0.998585 0.666667 Co\n0.461302 0.538699 0.166667 Co\n0.505915 0.494085 0.834983 Co\n0.505915 0.494085 0.498349 Co\n0.691606 0.697935 0.331719 O\n0.691606 0.697935 0.001613 O\n0.701175 0.693624 0.666667 O\n0.302065 0.308395 0.001613 O\n0.302065 0.308395 0.331719 O\n0.184835 0.815166 0.166667 O\n0.306376 0.298825 0.666667 O\n0.812763 0.187237 0.841432 F\n0.192624 0.807376 0.843375 F\n0.192624 0.807376 0.489957 F\n0.815391 0.184610 0.166667 F\n0.812763 0.187237 0.491901 F\n",
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{
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"created_at": "2022-09-04T14:38:08.474705Z",
"updated_at": "2022-09-04T14:38:08.474725Z",
"structure_string": "Co4 Ni1 O8\n1.0\n5.641689 -0.007877 -0.063721\n-2.813496 4.918846 0.079307\n-2.769411 -1.512030 4.665766\nCo Ni O\n4 1 8\ndirect\n0.000000 0.500001 0.500001 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500001 0.000000 Co\n0.500000 -0.000000 0.000000 Ni\n0.535295 0.274834 0.795666 O\n0.033756 0.764271 0.787659 O\n0.518264 0.764267 0.787673 O\n0.032354 0.276862 0.787758 O\n0.967647 0.723139 0.212244 O\n0.481737 0.235734 0.212329 O\n0.966245 0.235730 0.212342 O\n0.464706 0.725167 0.204336 O\n",
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{
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"structure_string": "Li4 Ti3 V3 O12\n1.0\n5.078598 0.000735 0.000585\n1.733905 5.709874 -0.021623\n1.729211 1.171260 7.518891\nLi Ti V O\n4 3 3 12\ndirect\n0.501838 0.665193 0.334410 Li\n0.498162 0.334807 0.665591 Li\n0.992822 0.834526 0.166012 Li\n0.007179 0.165474 0.833989 Li\n0.516437 0.829545 0.667110 Ti\n0.500000 0.500000 0.000001 Ti\n0.483563 0.170455 0.332891 Ti\n-0.000000 -0.000000 0.500000 V\n0.994729 0.670819 0.828976 V\n0.005272 0.329181 0.171025 V\n0.264417 0.489108 0.238894 O\n0.257498 0.812898 0.906266 O\n0.745632 0.311730 0.408377 O\n0.760712 0.641031 0.078273 O\n0.254369 0.688270 0.591624 O\n0.757671 0.991618 0.738740 O\n0.735583 0.510892 0.761106 O\n0.732702 0.857530 0.420395 O\n0.267299 0.142470 0.579606 O\n0.742503 0.187102 0.093735 O\n0.242330 0.008382 0.261261 O\n0.239289 0.358969 0.921727 O\n",
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{
"id": "jvasp-48155",
"created_at": "2022-09-04T14:37:05.299025Z",
"updated_at": "2022-09-04T14:37:05.299055Z",
"structure_string": "Mg2 Fe4 O8\n1.0\n-4.087616 4.087616 -0.000000\n4.087616 -0.000000 4.087616\n4.131738 4.131738 -0.044121\nMg Fe O\n2 4 8\ndirect\n0.626740 0.253480 0.119782 Mg\n0.002444 0.004889 0.992668 Mg\n0.623900 0.247799 0.626979 Fe\n0.245672 0.491342 0.262988 Fe\n0.623900 0.749123 0.626979 Fe\n0.125223 0.749123 0.626979 Fe\n0.843640 0.222026 0.399588 O\n0.378387 0.222026 0.399588 O\n0.871679 0.284075 0.844249 O\n0.862006 0.724012 0.413984 O\n0.412398 0.284075 0.844249 O\n0.871679 0.743354 0.844249 O\n0.378387 0.756774 0.399588 O\n0.383957 0.767913 0.848133 O\n",
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"formula_full": "Mg2 Fe4 O8",
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}
]
}