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{
"id": "jvasp-43691",
"created_at": "2022-09-04T14:38:11.343009Z",
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"structure_string": "V3 Cu1 O8\n1.0\n6.172470 -0.058811 0.066577\n-5.021649 3.589690 -0.066577\n-1.753955 0.571667 6.297497\nV Cu O\n3 1 8\ndirect\n0.401142 0.598859 0.283562 V\n0.601907 0.398095 0.723240 V\n0.302467 0.697535 0.715674 V\n0.705016 0.294985 0.296795 Cu\n0.130670 0.869331 0.683467 O\n0.245288 0.754713 0.361133 O\n0.361306 0.638696 0.988769 O\n0.439978 0.560024 0.633068 O\n0.551703 0.448298 0.358782 O\n0.619948 0.380054 0.978051 O\n0.768462 0.231540 0.688624 O\n0.872123 0.127878 0.288840 O\n",
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{
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"structure_string": "Li1 Ti3 O6\n1.0\n7.126748 1.480727 0.060727\n-7.126748 1.480727 -0.060727\n-0.191395 0.000000 4.948054\nLi Ti O\n1 3 6\ndirect\n0.779934 0.220068 0.934593 Li\n0.348988 0.651014 0.476590 Ti\n0.003759 0.996243 0.998885 Ti\n0.653899 0.346104 0.512990 Ti\n0.099037 0.900965 0.302334 O\n0.229601 0.770401 0.710521 O\n0.434964 0.565038 0.187368 O\n0.565552 0.434450 0.806032 O\n0.774055 0.225947 0.302305 O\n0.898024 0.101979 0.708077 O\n",
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"spacegroup": 8
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{
"id": "jvasp-46174",
"created_at": "2022-09-04T14:38:11.515511Z",
"updated_at": "2022-09-04T14:38:11.515543Z",
"structure_string": "Rb1 Li7 Ni2 O6\n1.0\n3.646610 -0.002704 0.001012\n-1.819665 4.978325 -0.022224\n-0.003087 -0.467543 9.859651\nRb Li Ni O\n1 7 2 6\ndirect\n0.010796 0.022222 0.007649 Rb\n0.180018 0.360663 0.259828 Li\n0.744831 0.490239 0.096001 Li\n0.223400 0.447408 0.580649 Li\n0.742768 0.486141 0.410717 Li\n0.277015 0.554565 0.895751 Li\n0.825227 0.650953 0.724716 Li\n0.468801 0.937791 0.534675 Li\n0.576277 0.153054 0.755331 Ni\n0.432956 0.866513 0.263071 Ni\n0.613955 0.228543 0.240846 O\n0.657661 0.315909 0.586572 O\n0.709531 0.419612 0.891018 O\n0.316449 0.633495 0.108477 O\n0.321686 0.643982 0.409531 O\n0.391233 0.782949 0.723095 O\n",
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"elements": [
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{
"id": "jvasp-44769",
"created_at": "2022-09-04T14:38:12.249540Z",
"updated_at": "2022-09-04T14:38:12.249563Z",
"structure_string": "Li4 Ti3 Cr3 W2 O16\n1.0\n-5.904245 -0.000313 0.000236\n2.951777 5.082692 -0.018585\n-0.000267 -0.151382 -9.656281\nLi Ti Cr W O\n4 3 3 2 16\ndirect\n0.665953 0.331932 0.899900 Li\n0.997289 0.994588 0.991080 Li\n0.994767 0.989530 0.495086 Li\n0.333706 0.667434 0.404040 Li\n0.340119 0.175961 0.217436 Ti\n0.835820 0.175968 0.217436 Ti\n0.169706 0.339432 0.716496 Ti\n0.170278 0.830642 0.712324 Cr\n0.660345 0.830642 0.712323 Cr\n0.830299 0.660622 0.210971 Cr\n0.666277 0.332575 0.487996 W\n0.336176 0.672372 0.986519 W\n0.165924 0.331868 0.099219 O\n0.166206 0.834457 0.093361 O\n0.330343 0.660714 0.604646 O\n0.482455 0.519845 0.843322 O\n0.037363 0.519842 0.843321 O\n0.830892 0.661802 0.596588 O\n0.965385 0.488095 0.341728 O\n0.516907 0.033837 0.341919 O\n0.835257 0.167444 0.597369 O\n0.000368 0.000756 0.808108 O\n0.999604 0.999233 0.311312 O\n0.663453 0.326931 0.104058 O\n0.481735 0.963487 0.838816 O\n0.332174 0.167448 0.597372 O\n0.522685 0.488091 0.341729 O\n0.668232 0.834459 0.093359 O\n",
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{
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"created_at": "2022-09-04T14:38:12.317065Z",
"updated_at": "2022-09-04T14:38:12.317081Z",
"structure_string": "Y1 Mo3 O8\n1.0\n5.196821 -0.045417 -0.027762\n-0.009732 5.761276 -0.028054\n-0.008180 2.846725 5.009072\nY Mo O\n1 3 8\ndirect\n0.262752 0.678726 0.679060 Y\n0.742321 0.163695 0.691002 Mo\n0.746876 0.147194 0.147540 Mo\n0.742315 0.690654 0.164041 Mo\n0.547051 0.486189 0.014812 O\n0.941314 0.333342 0.333687 O\n0.981015 0.328208 0.836667 O\n0.957256 0.838618 0.838962 O\n0.547063 0.014458 0.486545 O\n0.474354 -0.016785 -0.016437 O\n0.981011 0.836316 0.328551 O\n0.537563 0.497304 0.497656 O\n",
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"spacegroup": 8
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{
"id": "jvasp-44730",
"created_at": "2022-09-04T14:38:12.537490Z",
"updated_at": "2022-09-04T14:38:12.537510Z",
"structure_string": "Li4 Fe5 Co3 O16\n1.0\n5.622854 0.005379 0.033894\n-2.800426 4.857887 0.000283\n-0.039746 -0.023645 9.076609\nLi Fe Co O\n4 5 3 16\ndirect\n0.663554 0.331783 0.105568 Li\n0.997469 0.998741 0.001622 Li\n0.999459 0.999748 0.503673 Li\n0.333363 0.666696 0.607571 Li\n0.668219 0.334125 0.513416 Fe\n0.343579 0.171799 0.788849 Fe\n0.332487 0.666252 0.008291 Fe\n0.170126 0.825241 0.286558 Fe\n0.170127 0.344912 0.286557 Fe\n0.659146 0.829586 0.287926 Co\n0.827697 0.657784 0.788253 Co\n0.827697 0.169934 0.788253 Co\n0.664068 0.832045 0.901750 O\n0.169949 0.834787 0.898402 O\n0.333693 0.666860 0.397866 O\n0.476815 0.519797 0.158580 O\n0.476811 0.957038 0.158578 O\n0.334731 0.167380 0.398357 O\n0.520834 0.042098 0.657459 O\n0.958772 0.479393 0.659101 O\n0.836543 0.172231 0.400179 O\n0.002123 0.001076 0.193334 O\n0.002209 0.001110 0.694543 O\n0.665431 0.332731 0.897166 O\n0.037765 0.518897 0.154244 O\n0.836544 0.664344 0.400183 O\n0.520829 0.478757 0.657463 O\n0.169946 0.335178 0.898406 O\n",
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],
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"formula_full": "Li4 Fe5 Co3 O16",
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{
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"created_at": "2022-09-04T14:38:12.735103Z",
"updated_at": "2022-09-04T14:38:12.735130Z",
"structure_string": "Ag1 Cl1 O2\n1.0\n4.310077 -0.007277 0.021169\n-2.150834 3.702688 0.388986\n-0.025202 -0.577751 5.003442\nAg Cl O\n1 1 2\ndirect\n0.908692 0.568808 0.095717 Ag\n0.578462 0.908259 0.017488 Cl\n0.100641 -0.047573 0.531571 O\n0.267218 0.285826 0.514075 O\n",
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{
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"created_at": "2022-09-04T14:38:12.938922Z",
"updated_at": "2022-09-04T14:38:12.938938Z",
"structure_string": "K1 P1 H2 S1 O3\n1.0\n3.069850 3.158346 -1.073918\n-3.069850 3.158346 1.073918\n-0.010184 0.000000 5.872523\nK P H S O\n1 1 2 1 3\ndirect\n0.156526 0.843475 0.392715 K\n0.654724 0.345278 0.889854 P\n0.167395 0.204020 0.807348 H\n0.795981 0.832606 0.807348 H\n0.608190 0.391811 0.206328 S\n0.896712 0.103289 0.905434 O\n0.346738 0.260431 0.724490 O\n0.739571 0.653263 0.724490 O\n",
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{
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"created_at": "2022-09-04T14:38:13.484130Z",
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"structure_string": "Mo2 W2 Se6 S2\n1.0\n3.292715 0.000000 0.000000\n-1.646357 2.852108 -0.003825\n0.000000 -0.041987 31.362417\nMo W Se S\n2 2 6 2\ndirect\n0.338669 0.677338 0.064362 Mo\n0.323379 0.646759 0.479645 Mo\n0.666324 0.332649 0.275823 W\n0.671640 0.343281 0.683089 W\n0.333960 0.667924 0.329869 Se\n0.339311 0.678626 0.737093 Se\n0.671734 0.343470 0.010667 Se\n0.672290 0.344585 0.118123 Se\n0.332075 0.664153 0.221764 Se\n0.337174 0.674351 0.629031 Se\n0.655805 0.311610 0.430691 S\n0.657625 0.315251 0.528594 S\n",
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{
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"structure_string": "V4 O4 F12\n1.0\n5.633924 0.077047 0.010981\n2.438971 6.899327 0.605030\n2.501046 1.638218 6.707326\nV O F\n4 4 12\ndirect\n0.246927 0.223347 0.223304 V\n0.811879 0.723631 0.723669 V\n0.566786 0.469724 0.469736 V\n0.052269 0.973701 0.973691 V\n0.135641 0.119428 0.119403 O\n0.347552 0.876175 0.876157 O\n0.866265 0.369140 0.369119 O\n0.113797 0.633747 0.633771 O\n0.734963 0.548637 0.971170 F\n0.382699 0.381252 0.381228 F\n0.866264 0.876942 0.876954 F\n0.587577 0.136976 0.136904 F\n0.498156 0.302357 0.721672 F\n0.225459 0.475933 0.055821 F\n0.653213 0.617559 0.617650 F\n0.735053 0.971115 0.548655 F\n0.225377 0.055864 0.475891 F\n0.975899 0.800643 0.222152 F\n0.498244 0.721685 0.302428 F\n-0.024026 0.222154 0.800633 F\n",
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},
{
"id": "jvasp-51684",
"created_at": "2022-09-04T14:38:13.414150Z",
"updated_at": "2022-09-04T14:38:13.414176Z",
"structure_string": "K6 H10 Pd2\n1.0\n7.317002 0.000000 0.000000\n0.000000 7.317002 0.000000\n-0.000000 0.000000 5.785708\nK H Pd\n6 10 2\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.183644 0.683644 0.500000 K\n0.816356 0.316356 0.500000 K\n0.683644 0.816356 0.500000 K\n0.316356 0.183644 0.500000 K\n0.114986 0.385014 0.200753 H\n0.885014 0.614986 0.200753 H\n0.614986 0.114986 0.200753 H\n0.385014 0.885014 0.200753 H\n0.885014 0.614986 0.799247 H\n0.614986 0.114986 0.799247 H\n0.385014 0.885014 0.799247 H\n0.500000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.114986 0.385014 0.799247 Pd\n0.000000 0.500000 0.000000 Pd\n",
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],
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{
"id": "jvasp-44387",
"created_at": "2022-09-04T14:38:13.470826Z",
"updated_at": "2022-09-04T14:38:13.470852Z",
"structure_string": "Li4 Co3 Ni5 O16\n1.0\n5.631727 -0.000964 0.007344\n-2.809737 -4.880713 -0.008602\n-0.015812 -0.006299 -9.151922\nLi Co Ni O\n4 3 5 16\ndirect\n0.331285 0.668748 0.100320 Li\n0.999854 0.000115 0.003847 Li\n0.002904 -0.002829 0.504561 Li\n0.666255 0.333751 0.601068 Li\n0.659873 0.829278 0.787110 Co\n0.170706 0.340111 0.787111 Co\n0.829720 0.170337 0.286269 Co\n0.338000 0.170468 0.285719 Ni\n0.829591 0.662061 0.285721 Ni\n0.667056 0.332953 0.010617 Ni\n0.168892 0.831094 0.786390 Ni\n0.334310 0.665721 0.512253 Ni\n0.836544 0.675465 0.902334 O\n0.666021 0.334040 0.388937 O\n0.520522 0.039046 0.161173 O\n0.960995 0.479526 0.161171 O\n0.164944 0.835119 0.400900 O\n0.837982 0.162010 0.899817 O\n0.038800 0.518206 0.661047 O\n0.481771 0.518203 0.664306 O\n0.161057 0.323053 0.402496 O\n-0.000619 0.000676 0.192745 O\n-0.000631 0.000600 0.692537 O\n0.332725 0.667273 0.890574 O\n0.518437 0.481619 0.157235 O\n0.677010 0.839006 0.402501 O\n0.481781 0.961199 0.661053 O\n0.324510 0.163439 0.902344 O\n",
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]
}