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{
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"results": [
{
"id": "jvasp-104782",
"created_at": "2022-09-04T14:36:46.889815Z",
"updated_at": "2022-09-04T14:36:46.889839Z",
"structure_string": "Li1 V2 Cr1 O6\n1.0\n4.336510 0.042505 2.322196\n-1.602882 4.047981 -2.290140\n-0.073425 0.006540 5.346489\nLi V Cr O\n1 2 1 6\ndirect\n0.711242 0.288859 0.866341 Li\n-0.002266 0.002215 0.006621 V\n0.502265 0.497675 0.493005 V\n0.194724 0.805301 0.415782 Cr\n0.268680 0.088446 0.207413 O\n0.911556 0.387701 0.207407 O\n0.612295 0.731285 0.207344 O\n0.390079 0.219642 0.699234 O\n0.130262 0.609933 0.699256 O\n0.780358 0.869736 0.699197 O\n",
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{
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"structure_string": "Fe10 O14 F6\n1.0\n4.423078 0.009817 0.004475\n0.221604 4.479054 0.007492\n-0.004157 -0.073226 14.379554\nFe O F\n10 14 6\ndirect\n0.002464 0.003692 0.985335 Fe\n0.506290 0.502757 0.097962 Fe\n0.525298 0.545465 0.693574 Fe\n0.469387 0.471105 0.501289 Fe\n0.493182 0.506334 0.903355 Fe\n0.474189 0.475668 0.302673 Fe\n0.012972 0.014607 0.403272 Fe\n-0.001780 0.005108 0.602044 Fe\n0.014135 0.970590 0.804844 Fe\n0.010359 0.009577 0.207018 Fe\n0.711016 0.310290 -0.001093 O\n0.808236 0.822717 0.700683 O\n0.791987 0.805083 0.896714 O\n0.697574 0.307307 0.201424 O\n0.692634 0.299546 0.402690 O\n0.701559 0.312027 0.599287 O\n0.297282 0.687459 0.200959 O\n0.306479 0.681839 0.798524 O\n0.293693 0.697986 0.599718 O\n0.291565 0.697187 -0.001923 O\n0.197162 0.187424 0.305982 O\n0.193201 0.186272 0.501871 O\n0.214278 0.193166 0.896470 O\n0.286635 0.685704 0.402706 O\n0.807188 0.824903 0.094957 F\n0.213390 0.195550 0.700921 F\n0.200186 0.185580 0.091791 F\n0.717802 0.312027 0.798093 F\n0.788551 0.806176 0.502416 F\n0.783072 0.796837 0.306441 F\n",
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"formula_full": "Fe10 O14 F6",
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{
"id": "jvasp-111148",
"created_at": "2022-09-04T14:38:39.326717Z",
"updated_at": "2022-09-04T14:38:39.326735Z",
"structure_string": "Li1 V2 Cr1 O6\n1.0\n4.371520 0.002427 3.078323\n1.600261 4.067310 3.079605\n0.005855 0.002588 5.346638\nLi V Cr O\n1 2 1 6\ndirect\n0.288789 0.288807 0.288730 Li\n0.002226 0.002269 0.002108 V\n0.497662 0.497752 0.497609 V\n0.805291 0.805258 0.805182 Cr\n0.088465 0.731290 0.387631 O\n0.387714 0.088451 0.731229 O\n0.731307 0.387704 0.088381 O\n0.219654 0.609922 0.869674 O\n0.609957 0.869728 0.219566 O\n0.869736 0.219624 0.609879 O\n",
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"elements": [
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"density_atomic": 0.1053198636882667,
"volume": 94.94885057579185,
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"formula_full": "Li1 V2 Cr1 O6",
"formula_reduced": "LiV2CrO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 146
},
{
"id": "jvasp-51745",
"created_at": "2022-09-04T14:37:33.026650Z",
"updated_at": "2022-09-04T14:37:33.026666Z",
"structure_string": "Na3 V1 H6 O7\n1.0\n4.236970 2.446216 2.595575\n-4.236970 2.446216 2.595575\n-0.000000 -4.892430 2.595575\nNa V H O\n3 1 6 7\ndirect\n0.624145 0.429621 0.179598 Na\n0.429621 0.179598 0.624144 Na\n0.179599 0.624145 0.429620 Na\n0.997650 0.997650 0.997649 V\n0.608830 0.922759 0.254285 H\n0.922759 0.254286 0.608829 H\n0.254286 0.608830 0.922758 H\n0.511546 0.752743 0.880663 H\n0.880664 0.511546 0.752741 H\n0.752743 0.880665 0.511545 H\n0.396452 0.582710 0.837405 O\n0.218109 0.218109 0.218108 O\n0.998384 0.693698 0.046306 O\n0.693697 0.046307 0.998383 O\n0.046307 0.998384 0.693697 O\n0.837406 0.396452 0.582709 O\n0.582710 0.837406 0.396451 O\n",
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{
"id": "jvasp-78860",
"created_at": "2022-09-04T14:37:11.074234Z",
"updated_at": "2022-09-04T14:37:11.074263Z",
"structure_string": "Li1 O2\n1.0\n2.490606 -0.356746 2.700856\n0.814333 2.380600 2.700856\n-0.582567 -0.356747 3.627446\nLi O\n1 2\ndirect\n0.500001 0.500000 0.500001 Li\n0.274383 0.274379 0.274381 O\n0.725622 0.725617 0.725623 O\n",
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{
"id": "jvasp-102805",
"created_at": "2022-09-04T14:37:08.097431Z",
"updated_at": "2022-09-04T14:37:08.097457Z",
"structure_string": "B4 Mo1 Ir1\n1.0\n2.958798 0.000000 0.000000\n-1.479400 2.562394 0.000000\n-0.000000 -0.000000 7.513638\nB Mo Ir\n4 1 1\ndirect\n0.333333 0.666666 0.204995 B\n0.000000 0.000000 0.293607 B\n0.000000 0.000000 0.706394 B\n0.333333 0.666666 0.795005 B\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666666 0.500000 Ir\n",
"nsites": 6,
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"elements": [
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"volume": 56.96544476402401,
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},
{
"id": "jvasp-35979",
"created_at": "2022-09-04T14:38:30.273469Z",
"updated_at": "2022-09-04T14:38:30.273503Z",
"structure_string": "Li1 O3\n1.0\n2.754798 -0.000000 -0.000000\n1.377399 2.506700 2.749609\n1.377399 -2.506700 2.749609\nLi O\n1 3\ndirect\n0.480551 0.519449 0.519449 Li\n0.126848 0.649631 0.096675 O\n0.126848 0.096675 0.649631 O\n0.985554 0.014446 0.014446 O\n",
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},
{
"id": "jvasp-113145",
"created_at": "2022-09-04T14:38:45.939063Z",
"updated_at": "2022-09-04T14:38:45.939084Z",
"structure_string": "Li2 V2 C4 O12\n1.0\n4.360818 -0.011224 -1.528288\n-1.570451 6.273819 2.524929\n-0.038539 -0.048239 6.942523\nLi V C O\n2 2 4 12\ndirect\n0.749992 0.082545 0.417449 Li\n0.250009 0.582550 0.917455 Li\n0.500000 0.159794 0.840205 V\n0.000000 0.659801 0.340199 V\n0.121013 0.120398 0.119125 C\n0.621022 0.620398 0.619126 C\n0.378979 0.380874 0.379603 C\n0.878988 0.880876 0.879601 C\n0.904038 0.627987 0.612889 O\n0.404029 0.127988 0.112887 O\n0.595972 0.887114 0.872012 O\n0.095963 0.387110 0.372013 O\n0.512803 0.238338 0.528130 O\n0.026641 0.020416 0.739408 O\n0.987190 0.971870 0.261659 O\n0.487197 0.471870 0.761661 O\n0.973359 0.260593 0.979583 O\n0.526633 0.520419 0.239408 O\n0.012810 0.738341 0.028131 O\n0.473368 0.760592 0.479581 O\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:38:44.666141Z",
"updated_at": "2022-09-04T14:38:44.666170Z",
"structure_string": "H9 C13 S1 N1\n1.0\n3.576739 0.399095 -0.778507\n-1.124506 5.629725 0.228447\n-0.557361 0.301893 11.188456\nH C S N\n9 13 1 1\ndirect\n0.968465 0.085995 0.845197 H\n0.927548 0.127794 0.411808 H\n0.250964 0.279473 0.014523 H\n0.136553 0.800371 0.583768 H\n0.354521 0.859505 0.222654 H\n0.398511 0.803890 0.807434 H\n0.522729 0.791139 0.449293 H\n0.708564 0.082838 0.620381 H\n0.747525 0.191075 0.185985 H\n0.690499 0.322736 0.242695 C\n0.862866 0.241545 0.660196 C\n0.790654 0.285770 0.371314 C\n0.008088 0.243099 0.787633 C\n0.496580 0.602163 0.054346 C\n0.548240 0.534497 0.188028 C\n0.095708 0.642588 0.640723 C\n0.748132 0.457342 0.448215 C\n0.199851 0.446198 0.843178 C\n0.483486 0.700481 0.264703 C\n0.578831 0.661220 0.391698 C\n0.246632 0.646590 0.767384 C\n0.899855 0.442884 0.583687 C\n0.665712 0.871061 0.017263 S\n0.322786 0.436655 0.974021 N\n",
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{
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"updated_at": "2022-09-04T14:37:02.656715Z",
"structure_string": "Al4 Ni2 O8\n1.0\n5.733221 0.043304 0.012718\n2.904113 4.943463 0.012718\n2.889496 1.668251 4.718526\nAl Ni O\n4 2 8\ndirect\n0.131915 0.131915 0.118085 Al\n0.500000 0.499999 0.000001 Al\n0.500000 0.499999 0.500001 Al\n0.868085 0.868083 0.881917 Al\n0.500000 -0.000001 0.500001 Ni\n0.000000 0.499999 0.500001 Ni\n0.266166 0.266165 0.230935 O\n0.269758 0.738134 0.246055 O\n0.266166 0.266165 0.736734 O\n0.738135 0.269757 0.246055 O\n0.261865 0.730241 0.753947 O\n0.730243 0.261863 0.753947 O\n0.733834 0.733833 0.263267 O\n0.733834 0.733833 0.769067 O\n",
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{
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"created_at": "2022-09-04T14:38:15.062141Z",
"updated_at": "2022-09-04T14:38:15.062167Z",
"structure_string": "Sr1 Mg2 Fe1 H8\n1.0\n2.241091 -3.881685 0.000000\n2.241091 3.881685 0.000000\n-0.000000 -0.000000 6.547043\nSr Mg Fe H\n1 2 1 8\ndirect\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333332 0.877000 Mg\n0.333332 0.666667 0.123000 Mg\n0.000000 0.000000 0.000000 Fe\n0.838247 0.161753 0.144690 H\n0.323506 0.161753 0.144690 H\n0.838246 0.676494 0.144690 H\n0.161753 0.838247 0.855309 H\n0.676494 0.838246 0.855309 H\n0.161753 0.323506 0.855309 H\n0.666667 0.333332 0.585853 H\n0.333332 0.666667 0.414147 H\n",
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],
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{
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"structure_string": "Sr1 Mg2 Fe1 H8\n1.0\n2.241091 -3.881685 -0.000000\n2.241091 3.881685 0.000000\n0.000000 -0.000000 6.547043\nSr Mg Fe H\n1 2 1 8\ndirect\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333332 0.877000 Mg\n0.333332 0.666667 0.123000 Mg\n0.000000 0.000000 0.000000 Fe\n0.838247 0.161753 0.144690 H\n0.323506 0.161753 0.144690 H\n0.838246 0.676494 0.144690 H\n0.161753 0.838247 0.855309 H\n0.676494 0.838246 0.855309 H\n0.161753 0.323506 0.855309 H\n0.666667 0.333332 0.585853 H\n0.333332 0.666667 0.414147 H\n",
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]
}