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{
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"results": [
{
"id": "jvasp-44773",
"created_at": "2022-09-04T14:38:11.830620Z",
"updated_at": "2022-09-04T14:38:11.830653Z",
"structure_string": "Li6 Fe4 O2 F10\n1.0\n5.088848 0.041801 -0.015513\n-1.633570 4.819771 -0.013455\n-1.701794 -2.396033 8.880943\nLi Fe O F\n6 4 2 10\ndirect\n0.791564 0.541550 0.083336 Li\n0.876908 0.126993 0.253693 Li\n0.541750 0.791497 0.583334 Li\n0.468273 0.218339 0.436935 Li\n0.114998 0.864945 0.729722 Li\n0.206587 0.456493 0.912970 Li\n0.291571 0.041522 0.083330 Fe\n0.041576 0.291715 0.583331 Fe\n0.364718 0.614853 0.229430 Fe\n0.718773 0.968606 0.937240 Fe\n0.544534 0.788895 0.083297 O\n0.038965 0.294527 0.083368 O\n0.118492 0.887752 0.254083 F\n0.800696 0.532595 0.583311 F\n0.635498 0.366361 0.253918 F\n0.676794 0.965778 0.418766 F\n0.367566 0.656444 0.747882 F\n0.241845 0.453020 0.418758 F\n0.282496 0.050849 0.583356 F\n0.445726 0.214812 0.912703 F\n0.880356 0.091417 0.747924 F\n0.966992 0.697698 0.912640 F\n",
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{
"id": "jvasp-44783",
"created_at": "2022-09-04T14:38:08.939646Z",
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"structure_string": "Li4 Ti2 V3 Cr3 O16\n1.0\n5.819213 0.001316 -0.000446\n-2.909545 -5.040913 0.005644\n-0.048175 0.017256 -9.463685\nLi Ti V Cr O\n4 2 3 3 16\ndirect\n0.659706 0.329859 0.103751 Li\n0.001270 0.000640 0.005410 Li\n0.004019 0.002046 0.505126 Li\n0.328117 0.664065 0.607425 Li\n0.669425 0.334745 0.505439 Ti\n0.335250 0.667621 0.002489 Ti\n0.172868 0.821171 0.283211 V\n0.348967 0.174472 0.780811 V\n0.172855 0.351723 0.283207 V\n0.662777 0.831407 0.286702 Cr\n0.827331 0.658566 0.785616 Cr\n0.827330 0.168773 0.785615 Cr\n0.666356 0.833181 0.903832 O\n0.167465 0.833968 0.902214 O\n0.335011 0.667522 0.401262 O\n0.479576 0.519772 0.160758 O\n0.479575 0.959824 0.160755 O\n0.334581 0.167313 0.400849 O\n0.515497 0.034868 0.657926 O\n0.957286 0.478645 0.661979 O\n0.837214 0.169935 0.403409 O\n0.005174 0.002602 0.193865 O\n0.003656 0.001832 0.693348 O\n0.659245 0.329629 0.897567 O\n0.029257 0.514640 0.156025 O\n0.837219 0.667328 0.403419 O\n0.515495 0.480632 0.657929 O\n0.167463 0.333495 0.902217 O\n",
"nsites": 28,
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],
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"density_atomic": 0.10087456469082524,
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{
"id": "jvasp-101811",
"created_at": "2022-09-04T14:36:48.299342Z",
"updated_at": "2022-09-04T14:36:48.299373Z",
"structure_string": "H16 C18 S2\n1.0\n6.078836 -0.042039 -0.579036\n-2.736264 5.654690 -1.238065\n-0.106849 0.005944 10.426756\nH C S\n16 18 2\ndirect\n0.737703 0.372612 0.036876 H\n0.372671 0.250403 0.364494 H\n0.372671 0.250402 0.864494 H\n0.456242 0.665874 0.594143 H\n0.083727 0.543018 0.421700 H\n0.083726 0.543018 0.921700 H\n0.977224 0.291444 0.690941 H\n0.977224 0.291444 0.190941 H\n0.456242 0.665874 0.094144 H\n0.892306 0.808429 0.082382 H\n0.170798 0.051356 0.169541 H\n0.170799 0.051357 0.669542 H\n0.785886 0.120074 0.785306 H\n0.785886 0.120074 0.285306 H\n0.737702 0.372613 0.536876 H\n0.892306 0.808428 0.582382 H\n0.845433 0.109542 0.188742 C\n0.970139 0.823240 0.287551 C\n0.970139 0.823240 0.787552 C\n0.388821 0.119590 0.413410 C\n0.388821 0.119589 0.913409 C\n0.595645 0.189317 0.512093 C\n0.595646 0.189318 0.012093 C\n0.845432 0.109542 0.688741 C\n0.198544 0.887072 0.380514 C\n0.979535 0.947877 0.677161 C\n0.623233 0.029285 0.579512 C\n0.623233 0.029285 0.079512 C\n0.228572 0.725134 0.447226 C\n0.228571 0.725133 0.947226 C\n0.436662 0.794249 0.543698 C\n0.436662 0.794249 0.043698 C\n0.979535 0.947877 0.177161 C\n0.198545 0.887073 0.880514 C\n0.705969 0.625909 0.806386 S\n0.705969 0.625908 0.306386 S\n",
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],
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{
"id": "jvasp-106701",
"created_at": "2022-09-04T14:36:58.140965Z",
"updated_at": "2022-09-04T14:36:58.140976Z",
"structure_string": "V4 C3\n1.0\n2.892709 -0.004078 9.003194\n1.407448 2.527226 9.003194\n-0.006950 -0.004078 9.456491\nV C\n4 3\ndirect\n0.626228 0.626227 0.626226 V\n0.375813 0.375812 0.375811 V\n0.790615 0.790614 0.790613 V\n0.206115 0.206114 0.206114 V\n0.494938 0.494938 0.494937 C\n0.005481 0.005481 0.005481 C\n0.915814 0.915813 0.915811 C\n",
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"spacegroup": 160
},
{
"id": "jvasp-10642",
"created_at": "2022-09-04T14:37:28.595824Z",
"updated_at": "2022-09-04T14:37:28.595853Z",
"structure_string": "Mg2 Fe4 O8\n1.0\n5.842906 -0.035870 -0.025364\n2.890389 5.006300 -0.000000\n2.890389 1.668767 4.719985\nMg Fe O\n2 4 8\ndirect\n0.992642 0.002453 0.002454 Mg\n0.119792 0.626737 0.626736 Mg\n0.262991 0.245670 0.245670 Fe\n0.626978 0.125221 0.623901 Fe\n0.626978 0.623901 0.125221 Fe\n0.626978 0.623901 0.623901 Fe\n0.399591 0.378385 0.378385 O\n0.399591 0.378386 0.843638 O\n0.399591 0.843639 0.378385 O\n0.848139 0.383954 0.383954 O\n0.413973 0.862009 0.862008 O\n0.844253 0.412399 0.871674 O\n0.844253 0.871674 0.412399 O\n0.844253 0.871675 0.871674 O\n",
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},
{
"id": "jvasp-20168",
"created_at": "2022-09-04T14:37:31.659741Z",
"updated_at": "2022-09-04T14:37:31.659764Z",
"structure_string": "Th2 Be26\n1.0\n6.341315 -0.000000 3.661160\n2.113771 5.978649 3.661160\n-0.000000 0.000000 7.322319\nTh Be\n2 26\ndirect\n0.750000 0.750000 0.750000 Th\n0.250000 0.250000 0.250000 Th\n0.062492 0.287072 0.712928 Be\n0.712929 0.937508 0.062492 Be\n0.937508 0.712928 0.287071 Be\n0.212928 0.562492 0.437508 Be\n0.562493 0.437508 0.212928 Be\n0.437508 0.212928 0.562492 Be\n0.212928 0.437508 0.787072 Be\n0.212928 0.787072 0.562492 Be\n0.787072 0.437508 0.562492 Be\n0.287072 0.712928 0.062492 Be\n0.287072 0.937508 0.712928 Be\n0.937509 0.062492 0.712928 Be\n0.000000 0.000000 0.000000 Be\n0.712929 0.287072 0.937508 Be\n0.062492 0.937508 0.287072 Be\n0.937508 0.287072 0.062492 Be\n0.787072 0.562492 0.212928 Be\n0.562492 0.787072 0.437508 Be\n0.562493 0.212928 0.787072 Be\n0.437508 0.787072 0.212928 Be\n0.787072 0.212928 0.437508 Be\n0.437508 0.562492 0.787072 Be\n0.287072 0.062492 0.937508 Be\n0.500000 0.500000 0.500000 Be\n0.062492 0.712928 0.937508 Be\n0.712929 0.062492 0.287071 Be\n",
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],
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},
{
"id": "jvasp-40668",
"created_at": "2022-09-04T14:37:58.684554Z",
"updated_at": "2022-09-04T14:37:58.684573Z",
"structure_string": "Li4 V2 H4 O2 F10\n1.0\n5.793814 -0.286755 0.058545\n1.934168 4.835033 0.134413\n0.707636 0.447280 7.653552\nLi V H O F\n4 2 4 2 10\ndirect\n0.703310 0.784445 0.445441 Li\n0.774529 0.667660 0.027625 Li\n0.236341 0.334982 -0.034192 Li\n0.307687 0.218153 0.547984 Li\n0.766147 0.226933 0.750044 V\n0.244779 0.775664 0.243384 V\n0.209468 0.909875 0.812112 H\n0.159748 0.805155 0.634473 H\n0.851202 0.197461 0.358981 H\n0.801455 0.092783 0.181337 H\n0.885303 0.032611 0.293046 O\n0.125649 0.970023 0.700387 O\n0.385823 0.001129 0.356027 F\n0.267964 0.970258 0.015761 F\n0.924873 0.448065 0.849520 F\n0.211242 0.590351 0.474964 F\n0.435666 0.457928 0.801406 F\n0.575229 0.544620 0.191983 F\n0.799660 0.412254 0.518453 F\n0.085998 0.554577 0.143895 F\n0.742961 0.032361 0.977665 F\n0.625164 0.001419 0.637399 F\n",
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{
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"created_at": "2022-09-04T14:36:39.113477Z",
"updated_at": "2022-09-04T14:36:39.113502Z",
"structure_string": "Co2 Ni1 N2\n1.0\n2.596364 -0.000259 -0.917913\n-1.460510 2.334984 0.000000\n-0.027176 -0.016998 8.190925\nCo Ni N\n2 1 2\ndirect\n0.858213 0.429107 0.144146 Co\n0.141782 0.570890 0.855853 Co\n-0.000001 -0.000000 0.500000 Ni\n0.322626 0.161313 0.741644 N\n0.677369 0.838684 0.258356 N\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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"spacegroup": 160
},
{
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"created_at": "2022-09-04T14:35:46.687738Z",
"updated_at": "2022-09-04T14:35:46.687761Z",
"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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"formula_full": "Li4 Ti3 V3 O12",
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{
"id": "jvasp-44685",
"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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},
{
"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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}
]
}