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{
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"results": [
{
"id": "mp-1290742",
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"structure_string": "Li8 Mg2 Ni6 O16\n1.0\n-2.887336 5.000495 -0.000674\n-2.880963 -1.663839 4.761964\n5.833630 3.367084 4.819131\nLi Mg Ni O\n8 2 6 16\ndirect\n0.250217 0.249494 0.250574 Li\n0.749792 0.750496 0.749428 Li\n0.252485 0.749811 0.750071 Li\n0.747483 0.250170 0.249936 Li\n0.999842 0.000159 0.500018 Li\n0.500010 0.499952 0.999985 Li\n0.999798 0.499789 0.999987 Li\n0.500016 0.000062 0.500005 Li\n0.249176 0.249681 0.749741 Mg\n0.750822 0.750309 0.250256 Mg\n0.251715 0.750002 0.250139 Ni\n0.748315 0.249981 0.749877 Ni\n0.500046 0.999988 0.999995 Ni\n0.000042 0.999954 0.999993 Ni\n0.499973 0.500079 0.499987 Ni\n0.000006 0.500052 0.499992 Ni\n0.272957 0.761050 0.995495 O\n0.727441 0.261616 0.495183 O\n0.272602 0.738418 0.504826 O\n0.727158 0.238920 0.004499 O\n0.252853 0.219549 0.997570 O\n0.746397 0.720412 0.497845 O\n0.253591 0.279658 0.502160 O\n0.747203 0.780385 0.002425 O\n0.013604 0.516597 0.263502 O\n0.511722 0.015256 0.770746 O\n0.488333 0.984767 0.229233 O\n0.986376 0.483394 0.736502 O\n0.014295 0.983056 0.237071 O\n0.512113 0.484042 0.729298 O\n0.487874 0.515984 0.270723 O\n0.985741 0.016918 0.762936 O\n",
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"formula_full": "Li8 Mg2 Ni6 O16",
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"spacegroup": 13
},
{
"id": "mp-1194497",
"created_at": "2022-09-04T14:47:32.394672Z",
"structure_string": "Sm4 B8 H32\n1.0\n-7.230376 0.000000 0.000000\n0.000000 0.000000 -6.888019\n0.000000 -7.668813 0.000000\nSm B H\n4 8 32\ndirect\n0.000000 0.250000 0.114217 Sm\n0.500000 0.750000 0.385783 Sm\n0.000000 0.750000 0.885783 Sm\n0.500000 0.250000 0.614217 Sm\n0.745911 0.094514 0.367723 B\n0.754089 0.594514 0.132277 B\n0.245911 0.905486 0.132277 B\n0.254089 0.405486 0.367723 B\n0.254089 0.905486 0.632277 B\n0.245911 0.405486 0.867723 B\n0.754089 0.094514 0.867723 B\n0.745911 0.594514 0.632277 B\n0.613449 0.150060 0.281533 H\n0.886551 0.650060 0.218467 H\n0.113449 0.849940 0.218467 H\n0.386551 0.349940 0.281533 H\n0.386551 0.849940 0.718467 H\n0.113449 0.349940 0.781533 H\n0.886551 0.150060 0.781533 H\n0.613449 0.650060 0.718467 H\n0.840804 0.977650 0.287265 H\n0.659196 0.477650 0.212735 H\n0.340804 0.022350 0.212735 H\n0.159196 0.522350 0.287265 H\n0.159196 0.022350 0.712735 H\n0.340804 0.522350 0.787265 H\n0.659196 0.977650 0.787265 H\n0.840804 0.477650 0.712735 H\n0.837521 0.229306 0.423508 H\n0.662479 0.729306 0.076492 H\n0.337521 0.770694 0.076492 H\n0.162479 0.270694 0.423508 H\n0.162479 0.770694 0.576492 H\n0.337521 0.270694 0.923508 H\n0.662479 0.229306 0.923508 H\n0.837521 0.729306 0.576492 H\n0.689239 0.001528 0.497898 H\n0.810761 0.501528 0.002102 H\n0.189239 0.998472 0.002102 H\n0.310761 0.498472 0.497898 H\n0.310761 0.998472 0.502102 H\n0.189239 0.498472 0.997898 H\n0.810761 0.001528 0.997898 H\n0.689239 0.501528 0.502102 H\n",
"nsites": 44,
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"elements": [
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"formula_full": "Sm4 B8 H32",
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},
{
"id": "mp-1222518",
"created_at": "2022-09-04T14:43:17.416034Z",
"structure_string": "Li4 Te4 H20 O24\n1.0\n7.614819 0.000000 0.000000\n0.000000 7.698191 0.000000\n0.000000 7.696519 7.699832\nLi Te H O\n4 4 20 24\ndirect\n0.998857 0.508604 0.989011 Li\n0.001143 0.508604 0.489011 Li\n0.502424 0.012361 0.497836 Li\n0.497576 0.012361 0.997836 Li\n0.496691 0.490524 0.998276 Te\n0.503309 0.490524 0.498276 Te\n0.993892 0.987814 0.512121 Te\n0.006108 0.987814 0.012121 Te\n0.261931 0.779311 0.936259 H\n0.255466 0.218016 0.566696 H\n0.761073 0.150518 0.285327 H\n0.756375 0.850046 0.216164 H\n0.744534 0.218016 0.066696 H\n0.738069 0.779311 0.436259 H\n0.243625 0.850046 0.716164 H\n0.238927 0.150518 0.785327 H\n0.283586 0.255792 0.240462 H\n0.280526 0.740073 0.265592 H\n0.778339 0.238903 0.501920 H\n0.785909 0.773144 0.992820 H\n0.719474 0.740073 0.765592 H\n0.716414 0.255792 0.740462 H\n0.214091 0.773144 0.492820 H\n0.221661 0.238903 0.001920 H\n0.561036 0.530171 0.203723 H\n0.060851 0.437984 0.265875 H\n0.438964 0.530171 0.703723 H\n0.939149 0.437984 0.765875 H\n0.410136 0.224237 0.237272 O\n0.408276 0.775078 0.269945 O\n0.907354 0.199482 0.538058 O\n0.911079 0.815907 0.954350 O\n0.591724 0.775078 0.769945 O\n0.589864 0.224237 0.737272 O\n0.088921 0.815907 0.454350 O\n0.092646 0.199482 0.038058 O\n0.265290 0.658626 0.925432 O\n0.265405 0.338664 0.577403 O\n0.764138 0.007627 0.416708 O\n0.766563 0.991533 0.084831 O\n0.734595 0.338664 0.077403 O\n0.734710 0.658626 0.425432 O\n0.233437 0.991533 0.584831 O\n0.235862 0.007627 0.916708 O\n0.569272 0.655255 0.072069 O\n0.574939 0.337095 0.428951 O\n0.067891 0.298850 0.273269 O\n0.076486 0.694384 0.234633 O\n0.425061 0.337095 0.928951 O\n0.430728 0.655255 0.572069 O\n0.923514 0.694384 0.734633 O\n0.932109 0.298850 0.773269 O\n",
"nsites": 52,
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"elements": [
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"O"
],
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"density_atomic": 0.11520566285063749,
"volume": 451.36670119607976,
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"formula_full": "Li4 Te4 H20 O24",
"formula_reduced": "LiTeH5O6",
"formula_anonymous": "ABC5D6",
"energy": -282.83102387,
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"updated_at": "2021-11-28T01:36:09.983000Z",
"spacegroup": 7
},
{
"id": "mp-1174271",
"created_at": "2022-09-04T14:39:06.840776Z",
"structure_string": "Li7 Co5 O12\n1.0\n2.878531 0.000000 0.000000\n-1.375095 7.529383 0.000000\n-0.067319 -1.818874 9.611579\nLi Co O\n7 5 12\ndirect\n0.750535 0.000269 0.748532 Li\n0.249465 0.999731 0.251468 Li\n0.421253 0.340644 0.755618 Li\n0.921032 0.336341 0.247830 Li\n0.078968 0.663659 0.752170 Li\n0.578747 0.659356 0.244382 Li\n0.000000 0.500000 0.000000 Li\n0.670510 0.825830 0.997544 Co\n0.329490 0.174170 0.002456 Co\n0.165492 0.833114 0.497664 Co\n0.834508 0.166886 0.502336 Co\n0.500000 0.500000 0.500000 Co\n0.215762 0.920019 0.895938 O\n0.708640 0.917163 0.378857 O\n0.872984 0.235371 0.891140 O\n0.380627 0.259538 0.387786 O\n0.552187 0.609323 0.884516 O\n0.040226 0.580465 0.383304 O\n0.291360 0.082837 0.621143 O\n0.784238 0.079981 0.104062 O\n0.959774 0.419535 0.616696 O\n0.447813 0.390677 0.115484 O\n0.619373 0.740462 0.612214 O\n0.127016 0.764629 0.108860 O\n",
"nsites": 24,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.266554576944881,
"density_atomic": 0.11520894556432981,
"volume": 208.31715699193686,
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"formula_full": "Li7 Co5 O12",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
"energy": -149.42819411,
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"updated_at": "2021-11-28T01:34:29.616000Z",
"spacegroup": 2
},
{
"id": "mp-767679",
"created_at": "2022-09-04T14:42:25.511197Z",
"structure_string": "Li16 Ti2 Mn6 O24\n1.0\n4.954199 0.012010 -0.000019\n0.000125 -0.000170 -8.448798\n-0.035976 9.953258 0.000125\nLi Ti Mn O\n16 2 6 24\ndirect\n0.003691 0.921399 0.250163 Li\n0.003690 0.921427 0.750166 Li\n0.002080 0.231214 0.250224 Li\n0.002084 0.231257 0.750224 Li\n0.000306 0.563590 0.000085 Li\n0.000314 0.563593 0.500046 Li\n0.000101 0.252954 0.000244 Li\n0.000368 0.252954 0.500216 Li\n0.501027 0.757504 0.249986 Li\n0.501021 0.757469 0.749989 Li\n0.500080 0.727825 0.499989 Li\n0.499902 0.727824 0.000009 Li\n0.500296 0.415499 0.000199 Li\n0.500178 0.415496 0.500151 Li\n0.503285 0.071455 0.250401 Li\n0.503286 0.071438 0.750402 Li\n0.000212 0.900941 0.000136 Ti\n0.000063 0.900947 0.500001 Ti\n0.000638 0.579566 0.750067 Mn\n0.500485 0.085002 0.000292 Mn\n0.500325 0.084996 0.500253 Mn\n0.000645 0.579610 0.250063 Mn\n0.500727 0.403674 0.250170 Mn\n0.500719 0.403771 0.750185 Mn\n0.138879 0.741066 0.127358 O\n0.138331 0.741156 0.627433 O\n0.862468 0.741219 0.372744 O\n0.862997 0.741306 0.872663 O\n0.175762 0.418104 0.143124 O\n0.176007 0.418307 0.643073 O\n0.825562 0.418186 0.357131 O\n0.825305 0.418388 0.857180 O\n0.179792 0.069792 0.108525 O\n0.179740 0.069813 0.608553 O\n0.821518 0.069895 0.391938 O\n0.821569 0.069920 0.891908 O\n0.326624 0.567361 0.357396 O\n0.326432 0.567161 0.857434 O\n0.674549 0.567324 0.142791 O\n0.674709 0.567131 0.642732 O\n0.329749 0.921271 0.391228 O\n0.329879 0.921319 0.891240 O\n0.671486 0.921263 0.109188 O\n0.671358 0.921305 0.609174 O\n0.352445 0.245080 0.375784 O\n0.352980 0.245101 0.875883 O\n0.648968 0.245069 0.124603 O\n0.648430 0.245087 0.624497 O\n",
"nsites": 48,
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],
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"formula_full": "Li16 Ti2 Mn6 O24",
"formula_reduced": "Li8TiMn3O12",
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"spacegroup": 3
},
{
"id": "mp-1217026",
"created_at": "2022-09-04T14:44:11.729649Z",
"structure_string": "Ti1 B4 Mo1\n1.0\n1.526572 -2.644100 0.000000\n1.526572 2.644100 0.000000\n0.000000 0.000000 6.450592\nTi B Mo\n1 4 1\ndirect\n0.000000 0.000000 0.500000 Ti\n0.666667 0.333333 0.743802 B\n0.666667 0.333333 0.256198 B\n0.333333 0.666667 0.743802 B\n0.333333 0.666667 0.256198 B\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
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],
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"volume": 52.07445553336584,
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"formula_full": "Ti1 B4 Mo1",
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"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:36:30.951000Z",
"spacegroup": 191
},
{
"id": "mp-778088",
"created_at": "2022-09-04T14:43:13.502019Z",
"structure_string": "Li32 Mn13 Cr3 O48\n1.0\n-5.001429 0.000000 0.000000\n-0.014839 -8.678219 0.000000\n1.619975 2.823336 19.196258\nLi Mn Cr O\n32 13 3 48\ndirect\n0.991581 0.168305 0.249414 Li\n0.875336 0.374435 0.375134 Li\n0.749412 0.249793 0.000078 Li\n0.743663 0.919988 0.000523 Li\n0.994499 0.167615 0.749703 Li\n0.755867 0.579672 0.499922 Li\n0.875570 0.375611 0.875186 Li\n0.749856 0.251462 0.499850 Li\n0.744153 0.919210 0.500535 Li\n0.624770 0.125113 0.125005 Li\n0.755304 0.580419 0.999720 Li\n0.507159 0.331638 0.250423 Li\n0.622178 0.124687 0.625195 Li\n0.500369 0.000477 0.249946 Li\n0.494011 0.668242 0.249872 Li\n0.505698 0.332188 0.750313 Li\n0.376807 0.874231 0.374846 Li\n0.498331 0.000161 0.749847 Li\n0.249469 0.749735 0.000017 Li\n0.494218 0.667906 0.749911 Li\n0.244596 0.419148 0.000168 Li\n0.377020 0.874584 0.874872 Li\n0.257243 0.081520 0.499284 Li\n0.249505 0.749809 0.499986 Li\n0.124807 0.625030 0.124987 Li\n0.243298 0.418406 0.500032 Li\n0.006055 0.831502 0.249947 Li\n0.257006 0.081023 0.999854 Li\n0.124437 0.624412 0.624808 Li\n0.000101 0.499969 0.249912 Li\n0.006274 0.831863 0.750309 Li\n0.001118 0.500576 0.750307 Li\n0.873242 0.706963 0.374503 Mn\n0.873266 0.707677 0.874375 Mn\n0.625540 0.791345 0.125010 Mn\n0.624723 0.458485 0.125002 Mn\n0.626239 0.791464 0.625008 Mn\n0.623394 0.459621 0.624390 Mn\n0.374937 0.541733 0.375076 Mn\n0.375644 0.210135 0.375567 Mn\n0.374764 0.541585 0.874995 Mn\n0.375807 0.209681 0.875577 Mn\n0.124631 0.958434 0.124950 Mn\n0.125632 0.291531 0.124945 Mn\n0.126510 0.957468 0.625648 Mn\n0.880049 0.039761 0.375001 Cr\n0.880675 0.041631 0.874839 Cr\n0.120321 0.289918 0.625051 Cr\n0.963732 0.106402 0.068952 O\n0.928116 0.785043 0.069020 O\n0.927524 0.427385 0.068114 O\n0.967823 0.106881 0.569019 O\n0.822066 0.965035 0.181139 O\n0.822619 0.322615 0.182022 O\n0.928135 0.785032 0.568947 O\n0.923074 0.429498 0.567349 O\n0.786612 0.643405 0.181006 O\n0.711960 0.853374 0.318564 O\n0.822221 0.965350 0.680947 O\n0.825475 0.324244 0.681833 O\n0.677987 0.534453 0.319018 O\n0.675567 0.177086 0.317900 O\n0.786706 0.643712 0.680812 O\n0.712297 0.853496 0.818272 O\n0.463698 0.606516 0.069033 O\n0.571398 0.715168 0.431071 O\n0.572624 0.073862 0.432111 O\n0.678043 0.534087 0.818884 O\n0.676826 0.175834 0.817967 O\n0.427584 0.927250 0.068066 O\n0.428390 0.285218 0.069154 O\n0.537000 0.394263 0.430954 O\n0.462360 0.607290 0.568885 O\n0.571133 0.714923 0.930980 O\n0.569293 0.073442 0.932361 O\n0.322421 0.822734 0.182029 O\n0.321945 0.464991 0.181120 O\n0.428350 0.927583 0.567935 O\n0.428705 0.285912 0.569135 O\n0.537626 0.394251 0.931093 O\n0.286247 0.143422 0.181012 O\n0.212949 0.357078 0.319060 O\n0.322500 0.821667 0.681795 O\n0.323299 0.464021 0.681062 O\n0.177389 0.677716 0.318110 O\n0.175254 0.036897 0.319059 O\n0.288612 0.140090 0.681627 O\n0.212869 0.356827 0.818901 O\n0.072647 0.572418 0.431918 O\n0.075579 0.217283 0.431661 O\n0.177444 0.677491 0.817998 O\n0.178794 0.036379 0.818878 O\n0.033216 0.893387 0.431125 O\n0.072589 0.572497 0.931932 O\n0.075089 0.216516 0.931399 O\n0.031129 0.893818 0.930937 O\n",
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}