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{
"id": "mp-541721",
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{
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"structure_string": "La6 Cu6 O15\n1.0\n3.768016 0.000000 0.000000\n-1.867719 6.970894 0.000000\n-1.657270 -3.069490 13.463170\nLa Cu O\n6 6 15\ndirect\n0.858716 0.223551 0.462726 La\n0.286556 0.749661 0.804627 La\n0.925147 0.192025 0.730541 La\n0.713444 0.250339 0.195373 La\n0.074853 0.807975 0.269459 La\n0.141284 0.776449 0.537274 La\n0.296900 0.524404 0.079286 Cu\n0.445574 0.514264 0.361808 Cu\n0.834519 0.869054 0.057919 Cu\n0.554426 0.485736 0.638192 Cu\n0.165481 0.130946 0.942081 Cu\n0.703100 0.475596 0.920714 Cu\n0.278947 0.155909 0.325219 O\n0.176099 0.413124 0.928592 O\n0.907502 0.841116 0.921988 O\n0.376919 0.524051 0.221177 O\n0.947404 0.516257 0.362038 O\n0.330920 0.124341 0.582963 O\n0.500000 0.500000 0.500000 O\n0.596015 0.907738 0.175017 O\n0.052596 0.483743 0.637962 O\n0.403985 0.092262 0.824983 O\n0.623081 0.475949 0.778823 O\n0.669080 0.875659 0.417037 O\n0.092498 0.158884 0.078012 O\n0.823901 0.586876 0.071408 O\n0.721053 0.844091 0.674781 O\n",
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{
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"structure_string": "Li2 V2 P4 H2 O16\n1.0\n4.860699 0.000000 0.000000\n2.005270 7.199517 0.000000\n0.009197 0.016846 7.992320\nLi V P H O\n2 2 4 2 16\ndirect\n0.396838 0.148896 0.869492 Li\n0.907676 0.647152 0.632557 Li\n0.491644 0.001685 0.490913 V\n0.989192 0.507496 0.010210 V\n0.135120 0.732594 0.349241 P\n0.368539 0.768648 0.847690 P\n0.627784 0.238343 0.155501 P\n0.870219 0.263885 0.654486 P\n0.513559 0.494990 0.504238 H\n0.964771 0.010436 0.010042 H\n0.132910 0.142997 0.555392 O\n0.045100 0.682922 0.174842 O\n0.157464 0.646260 0.829529 O\n0.260745 0.560343 0.455789 O\n0.359587 0.344703 0.052165 O\n0.541355 0.184151 0.328252 O\n0.239346 0.948825 0.940181 O\n0.331023 0.863827 0.328859 O\n0.653177 0.146949 0.673459 O\n0.747989 0.060725 0.048187 O\n0.489119 0.809374 0.676652 O\n0.634281 0.645706 0.946449 O\n0.742024 0.446669 0.559734 O\n0.832260 0.362157 0.171941 O\n0.986988 0.312590 0.822892 O\n0.861477 0.843814 0.449155 O\n",
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{
"id": "mp-1186194",
"created_at": "2022-09-04T14:43:13.290616Z",
"structure_string": "Np3 B1\n1.0\n-0.000178 3.123615 3.123605\n3.123790 -0.000329 3.123757\n3.123721 3.123698 -0.000261\nNp B\n3 1\ndirect\n0.000014 0.999985 0.000004 Np\n0.499993 0.500008 0.499991 Np\n0.249999 0.250001 0.250006 Np\n0.749995 0.750007 0.750001 B\n",
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{
"id": "mp-1651352",
"created_at": "2022-09-04T14:43:13.306585Z",
"structure_string": "Na12 Co4 Si4 B4 O28\n1.0\n0.078729 6.617160 5.240309\n0.086829 -6.613591 5.235811\n8.966349 -0.005455 0.171107\nNa Co Si B O\n12 4 4 4 28\ndirect\n0.505577 0.251604 0.083290 Na\n0.007945 0.761310 0.086510 Na\n0.494423 0.748395 0.916710 Na\n0.992052 0.238689 0.913497 Na\n0.127932 0.122817 0.259250 Na\n0.631200 0.624278 0.263369 Na\n0.375339 0.880802 0.261250 Na\n0.871438 0.377850 0.261252 Na\n0.624661 0.119198 0.738754 Na\n0.128561 0.622153 0.738748 Na\n0.872069 0.877184 0.740754 Na\n0.368797 0.375720 0.736630 Na\n0.268107 0.519195 0.336479 Co\n0.731889 0.480803 0.663524 Co\n0.768147 0.013842 0.344872 Co\n0.231849 0.986145 0.655088 Co\n0.488716 0.238410 0.422944 Si\n0.981630 0.730634 0.428199 Si\n0.511310 0.761614 0.577046 Si\n0.018364 0.269367 0.571793 Si\n0.743470 0.993314 0.065542 B\n0.238809 0.489277 0.069394 B\n0.256528 0.006687 0.934461 B\n0.761190 0.510722 0.930606 B\n0.275731 0.025288 0.082600 O\n0.776382 0.527344 0.077828 O\n0.724268 0.974714 0.917401 O\n0.223619 0.472656 0.922172 O\n0.861969 0.111524 0.130666 O\n0.356013 0.607616 0.137755 O\n0.138037 0.888475 0.869331 O\n0.643984 0.392384 0.862243 O\n0.643730 0.892649 0.173188 O\n0.140668 0.391571 0.179298 O\n0.356276 0.107360 0.826817 O\n0.859330 0.608425 0.820698 O\n0.333561 0.084061 0.476795 O\n0.825614 0.576529 0.475233 O\n0.666426 0.915930 0.523210 O\n0.174390 0.423473 0.524773 O\n0.431558 0.682189 0.423892 O\n0.934122 0.183796 0.422539 O\n0.568441 0.317814 0.576107 O\n0.065876 0.816201 0.577466 O\n0.419243 0.364213 0.314158 O\n0.913435 0.860762 0.320548 O\n0.614396 0.165795 0.316883 O\n0.111147 0.667241 0.318146 O\n0.385611 0.834196 0.683124 O\n0.888857 0.332755 0.681859 O\n0.580750 0.635787 0.685842 O\n0.086563 0.139242 0.679466 O\n",
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"formula_full": "Na12 Co4 Si4 B4 O28",
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{
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"structure_string": "Zn4 Mo8 O16\n1.0\n3.158533 0.000000 0.000000\n0.000000 10.301815 0.000000\n0.000000 0.000000 10.443763\nZn Mo O\n4 8 16\ndirect\n0.046673 0.353528 0.750000 Zn\n0.046673 0.146472 0.250000 Zn\n0.953327 0.853528 0.750000 Zn\n0.953327 0.646472 0.250000 Zn\n0.699692 0.117734 0.926986 Mo\n0.699692 0.382266 0.426986 Mo\n0.300308 0.882266 0.426986 Mo\n0.699692 0.382266 0.073014 Mo\n0.300308 0.882266 0.073014 Mo\n0.699692 0.117734 0.573014 Mo\n0.300308 0.617734 0.573014 Mo\n0.300308 0.617734 0.926986 Mo\n0.199038 0.981133 0.612073 O\n0.800962 0.018867 0.387927 O\n0.194106 0.250000 0.500000 O\n0.800962 0.481133 0.612073 O\n0.800962 0.481133 0.887927 O\n0.575844 0.274719 0.250000 O\n0.199038 0.518867 0.387927 O\n0.424156 0.774719 0.250000 O\n0.194106 0.250000 0.000000 O\n0.805894 0.750000 0.500000 O\n0.199038 0.981133 0.887927 O\n0.424156 0.725281 0.750000 O\n0.575844 0.225281 0.750000 O\n0.805894 0.750000 0.000000 O\n0.199038 0.518867 0.112073 O\n0.800962 0.018867 0.112073 O\n",
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{
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"structure_string": "Ni1 H2 O2\n1.0\n1.582425 2.738152 0.000000\n-1.582425 2.738152 0.000000\n0.000000 0.537188 4.701561\nNi H O\n1 2 2\ndirect\n0.048460 0.951540 0.000000 Ni\n0.780208 0.609140 0.579327 H\n0.390860 0.219792 0.420673 H\n0.738393 0.640969 0.783423 O\n0.359031 0.261607 0.216577 O\n",
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{
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"structure_string": "K8 Co4 P8 W4 O40\n1.0\n9.349170 0.000000 0.000000\n0.000000 9.349170 0.000000\n0.000000 0.000000 10.855358\nK Co P W O\n8 4 8 4 40\ndirect\n0.702462 0.002906 0.928685 K\n0.297538 0.997094 0.428685 K\n0.797538 0.502906 0.321315 K\n0.202462 0.497094 0.821315 K\n0.997094 0.297538 0.571315 K\n0.497094 0.202462 0.178685 K\n0.002906 0.702462 0.071315 K\n0.502906 0.797538 0.678685 K\n0.862701 0.137299 0.250000 Co\n0.637299 0.637299 0.000000 Co\n0.362701 0.362701 0.500000 Co\n0.137299 0.862701 0.750000 Co\n0.676581 0.830027 0.252061 P\n0.669973 0.176581 0.502061 P\n0.823419 0.330027 0.997939 P\n0.323419 0.169973 0.752061 P\n0.830027 0.676581 0.747939 P\n0.169973 0.323419 0.247939 P\n0.330027 0.823419 0.002061 P\n0.176581 0.669973 0.497939 P\n0.388376 0.611624 0.250000 W\n0.611624 0.388376 0.750000 W\n0.888376 0.888376 0.500000 W\n0.111624 0.111624 0.000000 W\n0.782786 0.759183 0.628300 O\n0.004751 0.956181 0.619637 O\n0.259183 0.717214 0.378300 O\n0.956181 0.004751 0.380363 O\n0.217146 0.484568 0.221190 O\n0.740817 0.282786 0.878300 O\n0.543819 0.504751 0.869637 O\n0.238274 0.756663 0.605871 O\n0.984568 0.282854 0.971190 O\n0.782854 0.515432 0.721190 O\n0.318839 0.008934 0.731916 O\n0.261726 0.256663 0.644129 O\n0.282854 0.984568 0.028810 O\n0.495249 0.456181 0.630363 O\n0.717214 0.259183 0.621700 O\n0.515432 0.782854 0.278810 O\n0.491066 0.818839 0.981916 O\n0.240817 0.217214 0.871700 O\n0.217214 0.240817 0.128300 O\n0.456181 0.495249 0.369637 O\n0.043819 0.995249 0.880363 O\n0.756663 0.238274 0.394129 O\n0.181161 0.508934 0.518084 O\n0.015432 0.717146 0.471190 O\n0.256663 0.261726 0.355871 O\n0.008934 0.318839 0.268084 O\n0.717146 0.015432 0.528810 O\n0.818839 0.491066 0.018084 O\n0.681161 0.991066 0.231916 O\n0.761726 0.243337 0.105871 O\n0.759183 0.782786 0.371700 O\n0.282786 0.740817 0.121700 O\n0.991066 0.681161 0.768084 O\n0.995249 0.043819 0.119637 O\n0.243337 0.761726 0.894129 O\n0.504751 0.543819 0.130363 O\n0.743337 0.738274 0.855871 O\n0.738274 0.743337 0.144129 O\n0.508934 0.181161 0.481916 O\n0.484568 0.217146 0.778810 O\n",
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{
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},
{
"id": "mp-1209305",
"created_at": "2022-09-04T14:43:13.330907Z",
"structure_string": "Rb3 Yb1 P2 O8\n1.0\n2.925187 -5.066572 0.000000\n2.925187 5.066572 0.000000\n0.000000 0.000000 7.785453\nRb Yb P O\n3 1 2 8\ndirect\n0.333333 0.666667 0.701342 Rb\n0.666667 0.333333 0.298658 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Yb\n0.333333 0.666667 0.261081 P\n0.666667 0.333333 0.738919 P\n0.333333 0.666667 0.062285 O\n0.666667 0.333333 0.937715 O\n0.188167 0.811833 0.328214 O\n0.811833 0.188167 0.671786 O\n0.188167 0.376333 0.328214 O\n0.811833 0.623667 0.671786 O\n0.623667 0.811833 0.328214 O\n0.376333 0.188167 0.671786 O\n",
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"density_atomic": 0.060666131112663106,
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"formula_full": "Rb3 Yb1 P2 O8",
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},
{
"id": "mp-1224695",
"created_at": "2022-09-04T14:43:13.340710Z",
"structure_string": "Gd1 Cu4 Pd1\n1.0\n4.512788 -2.509675 0.000000\n4.512788 2.509675 0.000000\n3.117095 0.000000 4.116727\nGd Cu Pd\n1 4 1\ndirect\n0.999320 0.999320 0.999320 Gd\n0.625659 0.127480 0.625659 Cu\n0.127480 0.625659 0.625659 Cu\n0.625659 0.625659 0.127480 Cu\n0.247284 0.247284 0.247284 Cu\n0.624597 0.624597 0.624597 Pd\n",
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"elements": [
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],
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"density": 9.221720451096864,
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"volume": 93.24906370294434,
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"formula_full": "Gd1 Cu4 Pd1",
"formula_reduced": "GdCu4Pd",
"formula_anonymous": "ABC4",
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},
{
"id": "mp-1095252",
"created_at": "2022-09-04T14:43:13.475696Z",
"structure_string": "Sr2 Fe4 Se4 O2\n1.0\n-4.111316 -0.009309 0.000199\n0.002808 -0.005203 -6.706862\n-0.022458 -9.985357 -0.008297\nSr Fe Se O\n2 4 4 2\ndirect\n0.501461 0.998339 0.498806 Sr\n0.000149 0.001132 0.999985 Sr\n0.499265 0.373262 0.163675 Fe\n0.000819 0.629111 0.664997 Fe\n0.495164 0.369140 0.834937 Fe\n0.995216 0.627922 0.336833 Fe\n0.500703 0.747578 0.801745 Se\n0.500440 0.749130 0.200265 Se\n0.999046 0.251771 0.300063 Se\n0.002254 0.251951 0.698005 Se\n0.502529 0.218832 0.000206 O\n0.002956 0.781831 0.500482 O\n",
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],
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"volume": 275.33493854728937,
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"formula_full": "Sr2 Fe4 Se4 O2",
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"formula_anonymous": "ABC2D2",
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]
}