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{
"id": "mp-757006",
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"structure_string": "Be4 Co8 O16\n1.0\n2.893400 0.000000 0.000000\n0.000000 8.998035 0.000000\n0.000000 0.000000 9.303741\nBe Co O\n4 8 16\ndirect\n0.750000 0.645956 0.110647 Be\n0.250000 0.854044 0.610647 Be\n0.750000 0.145956 0.389353 Be\n0.250000 0.354044 0.889353 Be\n0.750000 0.629168 0.798746 Co\n0.750000 0.619031 0.429740 Co\n0.250000 0.880969 0.929740 Co\n0.250000 0.870832 0.298746 Co\n0.750000 0.129168 0.701254 Co\n0.750000 0.119031 0.070260 Co\n0.250000 0.380969 0.570260 Co\n0.250000 0.370832 0.201254 Co\n0.750000 0.516632 0.614635 O\n0.750000 0.479270 0.125374 O\n0.250000 0.765580 0.751770 O\n0.750000 0.745032 0.973254 O\n0.250000 0.754968 0.473254 O\n0.750000 0.734420 0.251770 O\n0.250000 0.020730 0.625374 O\n0.250000 0.983368 0.114635 O\n0.750000 0.016632 0.885365 O\n0.750000 0.979270 0.374626 O\n0.250000 0.265580 0.748230 O\n0.750000 0.245032 0.526746 O\n0.250000 0.254968 0.026746 O\n0.750000 0.234420 0.248230 O\n0.250000 0.520730 0.874626 O\n0.250000 0.483368 0.385365 O\n",
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{
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"structure_string": "Li9 Co7 O16\n1.0\n5.063105 0.000000 0.000000\n1.677861 5.580961 0.000000\n2.487805 2.272210 9.796828\nLi Co O\n9 7 16\ndirect\n0.497333 0.691707 0.877420 Li\n0.501876 0.819576 0.118107 Li\n0.502667 0.308293 0.122580 Li\n0.502592 0.438048 0.373092 Li\n0.502482 0.936763 0.376964 Li\n0.497518 0.063237 0.623036 Li\n0.497408 0.561952 0.626908 Li\n0.498124 0.180424 0.881893 Li\n0.000000 0.000000 0.000000 Li\n0.995508 0.875657 0.759941 Co\n0.000000 0.500000 0.000000 Co\n0.004492 0.124343 0.240059 Co\n0.000632 0.248520 0.500544 Co\n0.003379 0.370564 0.754931 Co\n0.996621 0.629436 0.245069 Co\n0.999368 0.751480 0.499456 Co\n0.778892 0.695028 0.685574 O\n0.771315 0.827169 0.931733 O\n0.785598 0.358331 0.924990 O\n0.778239 0.474855 0.181031 O\n0.767404 0.942643 0.197225 O\n0.768280 0.095959 0.435713 O\n0.776468 0.593949 0.426284 O\n0.779020 0.224615 0.689733 O\n0.214402 0.641669 0.075010 O\n0.220980 0.775385 0.310267 O\n0.221108 0.304972 0.314426 O\n0.223532 0.406051 0.573716 O\n0.231720 0.904041 0.564287 O\n0.232596 0.057357 0.802775 O\n0.221761 0.525145 0.818969 O\n0.228685 0.172831 0.068267 O\n",
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"formula_full": "Li9 Co7 O16",
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{
"id": "mp-510670",
"created_at": "2022-09-04T14:44:58.485675Z",
"structure_string": "Fe2 H2 O4\n1.0\n3.060091 0.000000 0.000000\n0.000000 4.484512 0.000000\n0.000000 0.000000 5.043163\nFe H O\n2 2 4\ndirect\n0.000000 0.723025 0.010225 Fe\n0.500000 0.276975 0.510225 Fe\n0.000000 0.813865 0.491545 H\n0.500000 0.186135 0.991545 H\n0.000000 0.994404 0.368415 O\n0.500000 0.005596 0.868415 O\n0.000000 0.510153 0.661614 O\n0.500000 0.489847 0.161614 O\n",
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{
"id": "mp-764428",
"created_at": "2022-09-04T14:40:31.362685Z",
"structure_string": "Li12 Cr5 O16\n1.0\n-5.834338 0.000000 0.000000\n2.903437 5.066264 0.000000\n-0.004294 -0.022238 -9.658306\nLi Cr O\n12 5 16\ndirect\n0.990623 0.003619 0.075733 Li\n0.652727 0.825314 0.735666 Li\n0.785813 0.165650 0.957410 Li\n0.839978 0.202475 0.237519 Li\n0.629016 0.836035 0.490467 Li\n0.645006 0.311457 0.745507 Li\n0.790951 0.620362 0.962865 Li\n0.319143 0.680410 0.251323 Li\n0.156140 0.335012 0.463812 Li\n0.840475 0.665138 0.234402 Li\n0.344660 0.171909 0.956896 Li\n0.151805 0.862857 0.459469 Li\n0.157130 0.332430 0.725114 Cr\n0.156385 0.828293 0.725706 Cr\n0.698939 0.365032 0.487732 Cr\n0.336095 0.676703 0.986597 Cr\n0.369397 0.216837 0.237921 Cr\n0.838848 0.181952 0.602115 O\n0.456374 0.492720 0.852874 O\n0.979168 0.504450 0.369006 O\n0.642139 0.825586 0.081400 O\n0.824480 0.658297 0.601933 O\n0.466140 0.974839 0.852170 O\n0.505441 0.050063 0.360511 O\n0.189032 0.356273 0.110943 O\n0.305117 0.643707 0.618358 O\n0.621501 0.314803 0.115658 O\n0.006298 0.502484 0.851806 O\n0.506981 0.497955 0.357431 O\n0.328797 0.167934 0.608283 O\n0.164371 0.818572 0.092354 O\n0.047179 0.032558 0.309738 O\n0.004313 0.014332 0.836073 O\n",
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{
"id": "mp-1174236",
"created_at": "2022-09-04T14:46:42.592446Z",
"structure_string": "Li5 Mn1 Co2 O8\n1.0\n1.450412 9.633884 0.000000\n-1.450412 9.633884 0.000000\n0.000000 0.289326 4.953087\nLi Mn Co O\n5 1 2 8\ndirect\n0.365096 0.365096 0.877718 Li\n0.638347 0.638347 0.134205 Li\n0.862274 0.862274 0.368159 Li\n0.133976 0.133976 0.619905 Li\n0.249909 0.249909 0.249651 Li\n0.999806 0.999806 0.001191 Mn\n0.500425 0.500425 0.500544 Co\n0.749845 0.749845 0.749258 Co\n0.555272 0.555272 0.817594 O\n0.808271 0.808271 0.031717 O\n0.053320 0.053320 0.320312 O\n0.304145 0.304145 0.580386 O\n0.195636 0.195636 0.918246 O\n0.443989 0.443989 0.188034 O\n0.691815 0.691815 0.465466 O\n0.947873 0.947873 0.677615 O\n",
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{
"id": "mp-1653728",
"created_at": "2022-09-04T14:45:16.452483Z",
"structure_string": "Li14 Co10 O24\n1.0\n4.976041 0.026114 -0.620363\n-0.688397 6.386920 7.265215\n0.728455 -6.426782 5.744035\nLi Co O\n14 10 24\ndirect\n0.500308 0.500748 0.332023 Li\n0.500008 0.000020 0.835986 Li\n0.242318 0.241555 0.833201 Li\n0.254531 0.746322 0.328093 Li\n0.758395 0.758052 0.833016 Li\n0.745433 0.252768 0.329349 Li\n0.249409 0.755056 0.001727 Li\n0.250985 0.254444 0.495212 Li\n0.260161 0.255204 0.171328 Li\n0.248178 0.755565 0.670497 Li\n0.750184 0.245825 0.000393 Li\n0.748456 0.745384 0.495262 Li\n0.737393 0.744867 0.172663 Li\n0.751357 0.244544 0.670535 Li\n0.000589 0.498869 0.832644 Co\n0.999872 0.000024 0.999245 Co\n0.999877 0.000019 0.670171 Co\n0.500079 0.000051 0.510363 Co\n0.500020 0.000038 0.159559 Co\n0.000364 0.000053 0.331063 Co\n0.000180 0.500097 0.491197 Co\n0.002501 0.501360 0.168747 Co\n0.498822 0.500704 0.001633 Co\n0.501253 0.498984 0.667903 Co\n0.363774 0.603265 0.833528 O\n0.380506 0.110963 0.325289 O\n0.640943 0.393561 0.829256 O\n0.619667 0.889780 0.326241 O\n0.893126 0.624429 0.334349 O\n0.890748 0.109268 0.830853 O\n0.102940 0.375515 0.333812 O\n0.109456 0.890392 0.831514 O\n0.360546 0.110088 0.013642 O\n0.367499 0.611259 0.522851 O\n0.361109 0.613450 0.156579 O\n0.347404 0.113318 0.658751 O\n0.639429 0.889956 0.014133 O\n0.631282 0.389097 0.520323 O\n0.635841 0.391370 0.152561 O\n0.652667 0.886123 0.659161 O\n0.885898 0.613767 0.982653 O\n0.877321 0.113513 0.506153 O\n0.861305 0.607072 0.676051 O\n0.858419 0.109863 0.161616 O\n0.114958 0.384177 0.984756 O\n0.121914 0.886796 0.505994 O\n0.140932 0.391850 0.676350 O\n0.141642 0.890578 0.161773 O\n",
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{
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"created_at": "2022-09-04T14:46:35.658422Z",
"structure_string": "Al6 Cu1 P4 H16 O28\n1.0\n7.471702 0.000000 0.000000\n3.248389 6.995060 0.000000\n3.561232 2.391759 9.105937\nAl Cu P H O\n6 1 4 16 28\ndirect\n0.714253 0.821394 0.248249 Al\n0.285747 0.178606 0.751751 Al\n0.246596 0.815256 0.727191 Al\n0.753404 0.184744 0.272809 Al\n0.754576 0.497787 0.754920 Al\n0.245424 0.502213 0.245080 Al\n0.000000 0.000000 0.000000 Cu\n0.651724 0.610881 0.057687 P\n0.348276 0.389119 0.942313 P\n0.159203 0.611979 0.544235 P\n0.840797 0.388021 0.455765 P\n0.141361 0.944895 0.252206 H\n0.858639 0.055105 0.747794 H\n0.859810 0.835147 0.837140 H\n0.140190 0.164853 0.162860 H\n0.347627 0.878423 0.409439 H\n0.652373 0.121577 0.590561 H\n0.612407 0.916764 0.684412 H\n0.387593 0.083236 0.315588 H\n0.854699 0.835067 0.434756 H\n0.145301 0.164933 0.565244 H\n0.350995 0.820373 0.948339 H\n0.649005 0.179627 0.051661 H\n0.019809 0.652822 0.086278 H\n0.980191 0.347178 0.913722 H\n0.581561 0.721199 0.569166 H\n0.418439 0.278801 0.430834 H\n0.933753 0.636256 0.618620 O\n0.066247 0.363744 0.381380 O\n0.193126 0.654371 0.376153 O\n0.806874 0.345629 0.623847 O\n0.725918 0.642855 0.888388 O\n0.274082 0.357145 0.111612 O\n0.937585 0.926747 0.803508 O\n0.062415 0.073253 0.196492 O\n0.764796 0.925412 0.368795 O\n0.235204 0.074588 0.631205 O\n0.267847 0.917492 0.877000 O\n0.732153 0.082508 0.123000 O\n0.701198 0.596940 0.394011 O\n0.298802 0.403060 0.605989 O\n0.681542 0.771108 0.095187 O\n0.318458 0.228892 0.904813 O\n0.015190 0.718134 0.155575 O\n0.984810 0.281866 0.844425 O\n0.422306 0.945417 0.313319 O\n0.577694 0.054583 0.686681 O\n0.213949 0.595145 0.869716 O\n0.786051 0.404855 0.130284 O\n0.536867 0.710948 0.675041 O\n0.463133 0.289052 0.324959 O\n0.215236 0.770621 0.567525 O\n0.784764 0.229379 0.432475 O\n0.423890 0.633361 0.103486 O\n0.576110 0.366639 0.896514 O\n",
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{
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{
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"structure_string": "Li24 Mn11 Cr1 O36\n1.0\n5.008069 0.000000 0.000000\n-0.879635 10.522655 0.000000\n-1.626148 -5.184298 11.823926\nLi Mn Cr O\n24 11 1 36\ndirect\n0.781528 0.058298 0.058512 Li\n0.666958 0.333475 0.083524 Li\n0.883368 0.274647 0.274320 Li\n0.333646 0.166940 0.166706 Li\n0.557894 0.607621 0.107893 Li\n0.000062 0.000110 0.250050 Li\n0.999684 0.500018 0.000228 Li\n0.777452 0.058740 0.558129 Li\n0.449416 0.390702 0.391806 Li\n0.666714 0.333419 0.583454 Li\n0.667592 0.833728 0.333310 Li\n0.108616 0.725495 0.224370 Li\n0.889237 0.274707 0.775258 Li\n0.333363 0.166739 0.666717 Li\n0.333841 0.667672 0.417654 Li\n0.552742 0.608691 0.608235 Li\n0.999136 0.499845 0.500282 Li\n0.222380 0.941419 0.441871 Li\n0.443594 0.391884 0.891629 Li\n0.666685 0.833357 0.833390 Li\n0.114198 0.724574 0.725195 Li\n0.333361 0.666727 0.916746 Li\n0.999998 0.999981 0.749971 Li\n0.219180 0.942066 0.941552 Li\n0.888991 0.777953 0.027953 Mn\n0.555604 0.111256 0.361274 Mn\n0.778098 0.555511 0.305286 Mn\n0.444300 0.888552 0.138563 Mn\n0.111002 0.221913 0.471925 Mn\n0.889025 0.778104 0.528117 Mn\n0.555669 0.111442 0.861394 Mn\n0.777583 0.555238 0.805213 Mn\n0.222310 0.444631 0.694604 Mn\n0.444380 0.888729 0.638734 Mn\n0.110846 0.221737 0.971991 Mn\n0.224340 0.446841 0.196859 Cr\n0.428159 0.139539 0.001637 O\n0.642968 0.075834 0.211967 O\n0.898804 0.529019 0.165149 O\n0.306728 0.409127 0.045331 O\n0.880308 0.044200 0.406266 O\n0.024941 0.256973 0.121021 O\n0.554042 0.377506 0.241200 O\n0.786459 0.289080 0.427120 O\n0.761307 0.806405 0.168458 O\n0.238608 0.193710 0.331556 O\n0.213776 0.710831 0.072972 O\n0.452329 0.621302 0.259318 O\n0.428179 0.139598 0.501735 O\n0.977656 0.742894 0.378926 O\n0.119560 0.955614 0.093644 O\n0.689287 0.590952 0.454874 O\n0.094476 0.471664 0.333628 O\n0.642902 0.075824 0.711817 O\n0.356987 0.923929 0.288009 O\n0.905221 0.526933 0.664811 O\n0.309601 0.409282 0.545179 O\n0.880248 0.044023 0.906102 O\n0.023635 0.257303 0.621304 O\n0.571810 0.860145 0.497954 O\n0.546971 0.377592 0.739590 O\n0.786026 0.288966 0.926953 O\n0.761382 0.806427 0.668425 O\n0.238515 0.193525 0.831411 O\n0.213570 0.710562 0.572705 O\n0.452794 0.622418 0.760267 O\n0.976375 0.742605 0.878613 O\n0.119715 0.955690 0.593754 O\n0.690208 0.590653 0.954518 O\n0.094755 0.472996 0.835007 O\n0.356940 0.923844 0.787848 O\n0.571963 0.860272 0.998214 O\n",
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],
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"formula_full": "Li24 Mn11 Cr1 O36",
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},
{
"id": "mp-1096984",
"created_at": "2022-09-04T14:47:15.108700Z",
"structure_string": "H8 C4 O4\n1.0\n2.102128 -4.489018 0.000000\n2.102128 4.489018 0.000000\n0.000000 0.000000 7.337204\nH C O\n8 4 4\ndirect\n0.238088 0.400003 0.572966 H\n0.761912 0.599997 0.072966 H\n0.400003 0.238088 0.427034 H\n0.599997 0.761912 0.927034 H\n0.909565 0.447920 0.820945 H\n0.090435 0.552080 0.320945 H\n0.447920 0.909565 0.179055 H\n0.552080 0.090435 0.679055 H\n0.662081 0.337919 0.750000 C\n0.337919 0.662081 0.250000 C\n0.470408 0.470408 0.500000 C\n0.529592 0.529592 0.000000 C\n0.400594 0.249000 0.877156 O\n0.599406 0.751000 0.377156 O\n0.249000 0.400594 0.122844 O\n0.751000 0.599406 0.622844 O\n",
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"formula_full": "H8 C4 O4",
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"spacegroup": 20
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{
"id": "mp-865631",
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"structure_string": "Li2 Ni2 O4\n1.0\n-1.401672 -2.427771 -0.001215\n1.540143 -2.507196 -0.066531\n1.256029 -0.721495 9.508650\nLi Ni O\n2 2 4\ndirect\n0.749552 0.500192 0.249941 Li\n0.250454 0.499792 0.750068 Li\n0.500027 0.999947 0.500035 Ni\n0.999978 0.000049 0.999962 Ni\n0.386349 0.226227 0.112872 O\n0.886523 0.229153 0.612707 O\n0.113486 0.770819 0.387317 O\n0.613630 0.773820 0.887098 O\n",
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{
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}