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{
"id": "mp-12902",
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"structure_string": "Er2 Ag2 Te4\n1.0\n7.084937 0.000000 0.000000\n0.000000 7.084937 0.000000\n0.000000 0.000000 4.704791\nEr Ag Te\n2 2 4\ndirect\n0.500000 0.000000 0.192079 Er\n0.000000 0.500000 0.807921 Er\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.201495 0.298505 0.291008 Te\n0.701495 0.201495 0.708992 Te\n0.798505 0.701495 0.291008 Te\n0.298505 0.798505 0.708992 Te\n",
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{
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"structure_string": "Er3 Co9\n1.0\n8.224127 -2.472458 0.000000\n8.224127 2.472458 0.000000\n7.480821 0.000000 4.217421\nEr Co\n3 9\ndirect\n0.860534 0.860534 0.860534 Er\n0.139466 0.139466 0.139466 Er\n0.000000 0.000000 0.000000 Er\n0.417263 0.921110 0.417263 Co\n0.334964 0.334964 0.334964 Co\n0.665036 0.665036 0.665036 Co\n0.582737 0.582737 0.078890 Co\n0.582737 0.078890 0.582737 Co\n0.417263 0.417263 0.921110 Co\n0.078890 0.582737 0.582737 Co\n0.921110 0.417263 0.417263 Co\n0.500000 0.500000 0.500000 Co\n",
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{
"id": "mp-974757",
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"structure_string": "K4 Be4 H12\n1.0\n5.497438 0.000000 0.000000\n0.000000 6.861258 0.000000\n0.000000 2.476452 8.698569\nK Be H\n4 4 12\ndirect\n0.248592 0.769076 0.698215 K\n0.748592 0.230924 0.801785 K\n0.251408 0.769076 0.198215 K\n0.751408 0.230924 0.301785 K\n0.255941 0.245890 0.502971 Be\n0.755941 0.754110 0.997029 Be\n0.244059 0.245890 0.002971 Be\n0.744059 0.754110 0.497029 Be\n0.027162 0.182778 0.566472 H\n0.467079 0.161144 0.580526 H\n0.725941 0.624333 0.646142 H\n0.225941 0.375667 0.853858 H\n0.967079 0.838856 0.919474 H\n0.527162 0.817222 0.933528 H\n0.472838 0.182778 0.066472 H\n0.032921 0.161144 0.080526 H\n0.774059 0.624333 0.146142 H\n0.274059 0.375667 0.353858 H\n0.532921 0.838856 0.419474 H\n0.972838 0.817222 0.433528 H\n",
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"formula_full": "K4 Be4 H12",
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},
{
"id": "mp-1197890",
"created_at": "2022-09-04T14:40:14.144871Z",
"structure_string": "Li8 Ti8 P12 O48\n1.0\n8.680367 0.000000 0.000000\n0.000000 8.767732 0.000000\n0.000000 0.000000 12.159726\nLi Ti P O\n8 8 12 48\ndirect\n0.714263 0.720059 0.181216 Li\n0.785737 0.220059 0.318784 Li\n0.785737 0.279941 0.681216 Li\n0.714263 0.779941 0.818784 Li\n0.285737 0.279941 0.818784 Li\n0.214263 0.779941 0.681216 Li\n0.214263 0.720059 0.318784 Li\n0.285737 0.220059 0.181216 Li\n0.747414 0.538356 0.388061 Ti\n0.752586 0.038356 0.111939 Ti\n0.752586 0.461644 0.888061 Ti\n0.747414 0.961644 0.611939 Ti\n0.252586 0.461644 0.611939 Ti\n0.247414 0.961644 0.888061 Ti\n0.247414 0.538356 0.111939 Ti\n0.252586 0.038356 0.388061 Ti\n0.460553 0.750000 0.500000 P\n0.039447 0.250000 0.000000 P\n0.539447 0.250000 0.500000 P\n0.960553 0.750000 0.000000 P\n0.895526 0.894029 0.352554 P\n0.604474 0.394029 0.147446 P\n0.604474 0.105971 0.852554 P\n0.895526 0.605971 0.647446 P\n0.104474 0.105971 0.647446 P\n0.395526 0.605971 0.852554 P\n0.395526 0.894029 0.147446 P\n0.104474 0.394029 0.352554 P\n0.646516 0.337276 0.419689 O\n0.853484 0.837276 0.080311 O\n0.853484 0.662724 0.919689 O\n0.646516 0.162724 0.580311 O\n0.353484 0.662724 0.580311 O\n0.146516 0.162724 0.919689 O\n0.146516 0.337276 0.080311 O\n0.353484 0.837276 0.419689 O\n0.558861 0.640741 0.430649 O\n0.941139 0.140741 0.069351 O\n0.941139 0.359259 0.930649 O\n0.558861 0.859259 0.569351 O\n0.441139 0.359259 0.569351 O\n0.058861 0.859259 0.930649 O\n0.058861 0.640741 0.069351 O\n0.441139 0.140741 0.430649 O\n0.844016 0.561448 0.530359 O\n0.655984 0.061448 0.969641 O\n0.655984 0.438552 0.030359 O\n0.844016 0.938552 0.469641 O\n0.155984 0.438552 0.469641 O\n0.344016 0.938552 0.030359 O\n0.344016 0.561448 0.969641 O\n0.155984 0.061448 0.530359 O\n0.673015 0.513230 0.227773 O\n0.826985 0.013230 0.272227 O\n0.826985 0.486770 0.727773 O\n0.673015 0.986770 0.772227 O\n0.326985 0.486770 0.772227 O\n0.173015 0.986770 0.727773 O\n0.173015 0.513230 0.272227 O\n0.326985 0.013230 0.227773 O\n0.837057 0.731898 0.322305 O\n0.662943 0.231898 0.177695 O\n0.662943 0.268102 0.822305 O\n0.837057 0.768102 0.677695 O\n0.162943 0.268102 0.677695 O\n0.337057 0.768102 0.822305 O\n0.337057 0.731898 0.177695 O\n0.162943 0.231898 0.322305 O\n0.926900 0.395227 0.344108 O\n0.573100 0.895227 0.155892 O\n0.573100 0.604773 0.844108 O\n0.926900 0.104773 0.655892 O\n0.073100 0.604773 0.655892 O\n0.426900 0.104773 0.844108 O\n0.426900 0.395227 0.155892 O\n0.073100 0.895227 0.344108 O\n",
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"elements": [
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"formula_full": "Li8 Ti8 P12 O48",
"formula_reduced": "Li2Ti2(PO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -607.09670114,
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{
"id": "mp-759780",
"created_at": "2022-09-04T14:40:14.102769Z",
"structure_string": "Li4 Nb12 Ni2 O36\n1.0\n7.671831 0.000000 0.000000\n-3.497311 8.259894 0.000000\n-1.194400 -3.754754 10.438224\nLi Nb Ni O\n4 12 2 36\ndirect\n0.551755 0.664244 0.947678 Li\n0.875561 0.325319 0.613365 Li\n0.544080 0.667885 0.447708 Li\n0.889349 0.339871 0.121693 Li\n0.508563 0.985970 0.993024 Nb\n0.176958 0.345917 0.826115 Nb\n0.666575 0.331050 0.844437 Nb\n0.321208 0.659292 0.658135 Nb\n0.820246 0.656705 0.658125 Nb\n0.493962 0.002959 0.501993 Nb\n0.160279 0.331153 0.330334 Nb\n0.030249 0.012257 0.504962 Nb\n0.655399 0.342495 0.319437 Nb\n0.326224 0.647418 0.158261 Nb\n0.851944 0.681278 0.173801 Nb\n0.996103 0.998699 0.003808 Nb\n0.198075 0.001090 0.805760 Ni\n0.698016 0.999660 0.304327 Ni\n0.690842 0.212253 0.955447 O\n0.047959 0.115197 0.851462 O\n0.709438 0.538114 0.966976 O\n0.715028 0.906609 0.951593 O\n0.376345 0.218415 0.796366 O\n0.962720 0.388618 0.839699 O\n0.355131 0.543738 0.778204 O\n0.003850 0.818044 0.830005 O\n0.644165 0.145590 0.663735 O\n0.059666 0.216653 0.628949 O\n0.369481 0.886760 0.792157 O\n0.709947 0.469658 0.710277 O\n0.053268 0.574317 0.627494 O\n0.296911 0.084223 0.492788 O\n0.629601 0.735072 0.661964 O\n0.042652 0.896519 0.627675 O\n0.299130 0.464773 0.502181 O\n0.692708 0.189584 0.424781 O\n0.368968 0.793731 0.527820 O\n0.980360 0.110006 0.349784 O\n0.726882 0.543509 0.465043 O\n0.724410 0.923986 0.444524 O\n0.389377 0.256197 0.294922 O\n0.965516 0.401951 0.322312 O\n0.347279 0.539942 0.278578 O\n0.968067 0.795296 0.345055 O\n0.647253 0.110009 0.178458 O\n0.433363 0.888435 0.291728 O\n0.053754 0.210262 0.124271 O\n0.697019 0.457043 0.191382 O\n0.059634 0.589724 0.135831 O\n0.296994 0.068859 0.981085 O\n0.655552 0.778439 0.182381 O\n0.009651 0.867348 0.104996 O\n0.324352 0.477569 0.003622 O\n0.366035 0.790289 0.025924 O\n",
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{
"id": "mp-1247235",
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"structure_string": "V3 Cr1 O8\n1.0\n4.941466 -0.089705 3.107303\n1.598627 4.678335 3.050015\n0.027588 -0.067047 6.203772\nV Cr O\n3 1 8\ndirect\n0.920825 0.837078 0.911280 V\n0.162176 0.079940 0.165836 V\n0.539613 0.456928 0.538311 V\n0.542927 0.460064 0.035047 Cr\n0.787730 0.712704 0.256415 O\n0.287739 0.210944 0.256770 O\n0.800097 0.707101 0.814799 O\n0.293856 0.199865 0.821090 O\n0.305503 0.699185 0.280528 O\n0.770488 0.234172 0.281841 O\n0.776847 0.218180 0.793319 O\n0.312196 0.683858 0.791592 O\n",
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{
"id": "mp-1206364",
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"structure_string": "Mn2 Ni1 Sb1\n1.0\n0.000000 3.020255 3.020255\n3.020255 0.000000 3.020255\n3.020255 3.020255 0.000000\nMn Ni Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n0.750000 0.750000 0.750000 Sb\n",
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{
"id": "mp-1198032",
"created_at": "2022-09-04T14:40:14.553108Z",
"structure_string": "Cs4 Br8 F28\n1.0\n7.925172 0.000000 0.000000\n0.000000 8.336944 0.000000\n-7.792556 0.000000 12.346371\nCs Br F\n4 8 28\ndirect\n0.878563 0.918225 0.309163 Cs\n0.121437 0.418225 0.190837 Cs\n0.121437 0.081775 0.690837 Cs\n0.878563 0.581775 0.809163 Cs\n0.240162 0.922693 0.120694 Br\n0.759838 0.422693 0.379306 Br\n0.759838 0.077307 0.879306 Br\n0.240162 0.577307 0.620694 Br\n0.517734 0.722643 0.983004 Br\n0.482266 0.222643 0.516996 Br\n0.482266 0.277357 0.016996 Br\n0.517734 0.777357 0.483004 Br\n0.383160 0.108967 0.198011 F\n0.616840 0.608967 0.301989 F\n0.616840 0.891033 0.801989 F\n0.383160 0.391033 0.698011 F\n0.087702 0.735002 0.045118 F\n0.912298 0.235002 0.454882 F\n0.912298 0.264998 0.954882 F\n0.087702 0.764998 0.545118 F\n0.051560 0.972825 0.153326 F\n0.948440 0.472825 0.346674 F\n0.948440 0.027175 0.846674 F\n0.051560 0.527175 0.653326 F\n0.461834 0.878372 0.081984 F\n0.538166 0.378372 0.418016 F\n0.538166 0.121628 0.918016 F\n0.461834 0.621628 0.581984 F\n0.274547 0.774824 0.850373 F\n0.725453 0.274824 0.649627 F\n0.725453 0.225176 0.149627 F\n0.274547 0.725176 0.350373 F\n0.582839 0.589914 0.906329 F\n0.417161 0.089914 0.593671 F\n0.417161 0.410086 0.093671 F\n0.582839 0.910086 0.406329 F\n0.762853 0.660618 0.110106 F\n0.237147 0.160618 0.389894 F\n0.237147 0.339382 0.889894 F\n0.762853 0.839382 0.610106 F\n",
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{
"id": "mp-1174181",
"created_at": "2022-09-04T14:40:14.648099Z",
"structure_string": "Li6 Co4 O10\n1.0\n2.926706 -0.000000 0.000000\n-1.463353 2.528549 -0.175061\n0.000000 -0.017021 24.218785\nLi Co O\n6 4 10\ndirect\n0.098543 0.197087 0.295630 Li\n0.499442 0.998885 0.498327 Li\n0.900000 0.800000 0.700000 Li\n0.300558 0.601115 0.901673 Li\n0.701457 0.402913 0.104370 Li\n0.400000 0.800000 0.200000 Li\n0.999846 0.999692 0.999538 Co\n0.800154 0.600308 0.400462 Co\n0.200038 0.400076 0.600113 Co\n0.599962 0.199924 0.799887 Co\n0.149291 0.298582 0.447873 O\n0.548377 0.096754 0.645131 O\n0.947798 0.895596 0.843394 O\n0.347888 0.695776 0.043664 O\n0.750159 0.500317 0.250476 O\n0.049841 0.099683 0.149524 O\n0.452112 0.904224 0.356336 O\n0.852202 0.704404 0.556606 O\n0.251623 0.503246 0.754869 O\n0.650709 0.301418 0.952127 O\n",
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{
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{
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"structure_string": "Li8 Si16 Ni4 O40\n1.0\n7.017415 0.000000 0.000000\n0.000000 9.487700 0.000000\n0.000000 0.000000 14.211234\nLi Si Ni O\n8 16 4 40\ndirect\n0.657746 0.088910 0.830695 Li\n0.063711 0.156854 0.538670 Li\n0.563711 0.343146 0.461330 Li\n0.157746 0.411090 0.169305 Li\n0.342254 0.588910 0.669305 Li\n0.936289 0.656854 0.961330 Li\n0.436289 0.843146 0.038670 Li\n0.842254 0.911090 0.330695 Li\n0.464256 0.028865 0.566600 Si\n0.244570 0.062185 0.898783 Si\n0.314051 0.097309 0.216832 Si\n0.740274 0.135183 0.177026 Si\n0.240274 0.364817 0.822974 Si\n0.814051 0.402691 0.783168 Si\n0.744570 0.437815 0.101217 Si\n0.964256 0.471135 0.433400 Si\n0.535744 0.528865 0.933400 Si\n0.755430 0.562185 0.601217 Si\n0.685949 0.597309 0.283168 Si\n0.259726 0.635183 0.322974 Si\n0.759726 0.864817 0.677026 Si\n0.185949 0.902691 0.716832 Si\n0.255430 0.937815 0.398783 Si\n0.035744 0.971135 0.066600 Si\n0.007784 0.197867 0.348429 Ni\n0.507784 0.302133 0.651571 Ni\n0.992216 0.697867 0.151571 Ni\n0.492216 0.802133 0.848429 Ni\n0.124971 0.989294 0.812132 O\n0.202402 0.980340 0.149271 O\n0.073409 0.032404 0.429445 O\n0.824876 0.010330 0.107749 O\n0.090443 0.084840 0.984315 O\n0.509298 0.136670 0.160220 O\n0.798828 0.103287 0.284566 O\n0.461192 0.192044 0.533380 O\n0.325088 0.214756 0.862972 O\n0.185467 0.233787 0.241004 O\n0.685467 0.266213 0.758996 O\n0.825088 0.285244 0.137028 O\n0.961192 0.307956 0.466620 O\n0.298828 0.396713 0.715434 O\n0.009298 0.363330 0.839780 O\n0.590443 0.415160 0.015685 O\n0.324876 0.489670 0.892251 O\n0.573409 0.467596 0.570555 O\n0.702402 0.519660 0.850729 O\n0.624971 0.510706 0.187868 O\n0.875029 0.489294 0.687868 O\n0.797598 0.480340 0.350729 O\n0.926591 0.532404 0.070555 O\n0.175124 0.510330 0.392251 O\n0.909557 0.584840 0.515685 O\n0.490702 0.636670 0.339780 O\n0.201172 0.603287 0.215434 O\n0.538808 0.692044 0.966620 O\n0.674912 0.714756 0.637028 O\n0.814533 0.733787 0.258996 O\n0.314533 0.766213 0.741004 O\n0.174912 0.785244 0.362972 O\n0.038808 0.807956 0.033380 O\n0.701172 0.896713 0.784566 O\n0.990702 0.863330 0.660220 O\n0.409557 0.915160 0.484315 O\n0.675124 0.989670 0.607749 O\n0.426591 0.967596 0.929445 O\n0.297598 0.019660 0.649271 O\n0.375029 0.010706 0.312132 O\n",
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]
}