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{
"id": "mp-1020123",
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"structure_string": "Mg16 Si16 O48\n1.0\n8.990492 0.000000 0.000000\n0.000000 5.198045 0.000000\n0.000000 2.000057 18.694238\nMg Si O\n16 16 48\ndirect\n0.598701 0.750000 0.500000 Mg\n0.401299 0.250000 0.500000 Mg\n0.760682 0.250000 0.500000 Mg\n0.239318 0.750000 0.500000 Mg\n0.099210 0.605880 0.750859 Mg\n0.099210 0.894120 0.249141 Mg\n0.900790 0.394120 0.249141 Mg\n0.900790 0.105880 0.750859 Mg\n0.739341 0.608757 0.753726 Mg\n0.739341 0.891243 0.246274 Mg\n0.260659 0.391243 0.246274 Mg\n0.260659 0.108757 0.753726 Mg\n0.401545 0.250000 0.000000 Mg\n0.598455 0.750000 0.000000 Mg\n0.761584 0.250000 0.000000 Mg\n0.238416 0.750000 0.000000 Mg\n0.090486 0.497949 0.394565 Si\n0.090486 0.002051 0.605435 Si\n0.909514 0.502051 0.605435 Si\n0.909514 0.997949 0.394565 Si\n0.590528 0.463110 0.352198 Si\n0.590528 0.036890 0.647802 Si\n0.409472 0.536890 0.647802 Si\n0.409472 0.963110 0.352198 Si\n0.088754 0.213598 0.899809 Si\n0.088754 0.286402 0.100191 Si\n0.911246 0.786402 0.100191 Si\n0.911246 0.713598 0.899809 Si\n0.411259 0.642443 0.852015 Si\n0.411259 0.857557 0.147985 Si\n0.588741 0.357557 0.147985 Si\n0.588741 0.142443 0.852015 Si\n0.092134 0.533166 0.307012 O\n0.092134 0.966834 0.692988 O\n0.907866 0.466834 0.692988 O\n0.907866 0.033166 0.307012 O\n0.242029 0.450046 0.438776 O\n0.242029 0.049954 0.561224 O\n0.757971 0.549954 0.561224 O\n0.757971 0.950046 0.438776 O\n0.962049 0.280465 0.422212 O\n0.962049 0.219535 0.577788 O\n0.037951 0.719535 0.577788 O\n0.037951 0.780465 0.422212 O\n0.592600 0.437923 0.439733 O\n0.592600 0.062077 0.560267 O\n0.407400 0.562077 0.560267 O\n0.407400 0.937923 0.439733 O\n0.741601 0.558378 0.310733 O\n0.741601 0.941622 0.689267 O\n0.258399 0.441622 0.689267 O\n0.258399 0.058378 0.310733 O\n0.461055 0.682657 0.324411 O\n0.461055 0.817343 0.675589 O\n0.538945 0.317343 0.675589 O\n0.538945 0.182657 0.324411 O\n0.091056 0.249418 0.812207 O\n0.091056 0.250582 0.187793 O\n0.908944 0.750582 0.187793 O\n0.908944 0.749418 0.812207 O\n0.235480 0.095634 0.940229 O\n0.235480 0.404366 0.059771 O\n0.764520 0.904366 0.059771 O\n0.764520 0.595634 0.940229 O\n0.050261 0.506683 0.925941 O\n0.050261 0.993317 0.074059 O\n0.949739 0.493317 0.074059 O\n0.949739 0.006683 0.925941 O\n0.408607 0.608456 0.939857 O\n0.408607 0.891544 0.060143 O\n0.591393 0.391544 0.060143 O\n0.591393 0.108456 0.939857 O\n0.265339 0.759620 0.810919 O\n0.265339 0.740380 0.189081 O\n0.734661 0.240380 0.189081 O\n0.734661 0.259620 0.810919 O\n0.449189 0.348777 0.826108 O\n0.449189 0.151223 0.173892 O\n0.550811 0.651223 0.173892 O\n0.550811 0.848777 0.826108 O\n",
"nsites": 80,
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"elements": [
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],
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"volume": 873.6374877360022,
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"formula_full": "Mg16 Si16 O48",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:36:57.495000Z",
"spacegroup": 13
},
{
"id": "mp-1041772",
"created_at": "2022-09-04T14:47:16.590639Z",
"structure_string": "Mg6 V12 Cu6 O42\n1.0\n8.378941 0.000000 0.000000\n0.000000 10.198365 0.000000\n0.000000 0.515710 10.223700\nMg V Cu O\n6 12 6 42\ndirect\n0.433581 0.846604 0.577145 Mg\n0.933438 0.500000 0.750000 Mg\n0.433581 0.153396 0.922855 Mg\n0.066562 0.500000 0.250000 Mg\n0.566419 0.153396 0.422855 Mg\n0.566419 0.846604 0.077145 Mg\n0.214285 0.833287 0.285575 V\n0.738450 0.836863 0.381690 V\n0.261550 0.836863 0.881690 V\n0.785715 0.833287 0.785575 V\n0.285238 0.523385 0.957464 V\n0.738450 0.163137 0.118310 V\n0.714762 0.523385 0.457464 V\n0.261550 0.163137 0.618310 V\n0.285238 0.476615 0.542536 V\n0.714762 0.476615 0.042536 V\n0.785715 0.166713 0.714425 V\n0.214285 0.166713 0.214425 V\n0.927487 0.198334 0.410922 Cu\n0.072513 0.801666 0.589078 Cu\n0.434294 0.500000 0.250000 Cu\n0.927487 0.801666 0.089078 Cu\n0.565706 0.500000 0.750000 Cu\n0.072513 0.198334 0.910922 Cu\n0.755310 0.807676 0.956350 O\n0.757639 0.170046 0.289436 O\n0.852215 0.000000 0.750000 O\n0.894403 0.487167 0.112670 O\n0.395616 0.047141 0.574227 O\n0.925749 0.725756 0.721277 O\n0.361487 0.690125 0.940646 O\n0.105597 0.487167 0.612670 O\n0.739404 0.516361 0.873978 O\n0.395616 0.952859 0.925773 O\n0.739404 0.483639 0.626022 O\n0.419935 0.423936 0.880427 O\n0.915669 0.149698 0.038545 O\n0.074251 0.725756 0.221277 O\n0.638513 0.309875 0.059354 O\n0.361487 0.309875 0.559354 O\n0.925749 0.274244 0.778723 O\n0.604384 0.952859 0.425773 O\n0.244690 0.807676 0.456350 O\n0.580065 0.576064 0.119573 O\n0.391014 0.184849 0.289386 O\n0.260596 0.483639 0.126022 O\n0.084331 0.149698 0.538545 O\n0.260596 0.516361 0.373978 O\n0.894403 0.512833 0.387330 O\n0.580065 0.423936 0.380427 O\n0.105597 0.512833 0.887330 O\n0.608986 0.184849 0.789386 O\n0.608986 0.815151 0.710614 O\n0.084331 0.850302 0.961455 O\n0.074251 0.274244 0.278723 O\n0.755310 0.192324 0.543650 O\n0.147785 0.000000 0.250000 O\n0.242361 0.170046 0.789436 O\n0.604384 0.047141 0.074227 O\n0.915669 0.850302 0.461455 O\n0.244690 0.192324 0.043650 O\n0.757639 0.829954 0.210564 O\n0.419935 0.576064 0.619573 O\n0.638513 0.690125 0.440646 O\n0.242361 0.829954 0.710564 O\n0.391014 0.815151 0.210614 O\n",
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],
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"volume": 873.6304865585087,
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"formula_full": "Mg6 V12 Cu6 O42",
"formula_reduced": "MgV2CuO7",
"formula_anonymous": "ABC2D7",
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"updated_at": "2021-11-28T01:38:03.340000Z",
"spacegroup": 13
},
{
"id": "mp-1042652",
"created_at": "2022-09-04T14:44:18.782660Z",
"structure_string": "Mn8 Zn8 Bi8 O40\n1.0\n5.322443 0.000000 0.000000\n0.000000 10.750183 0.000000\n0.000000 0.000000 15.267457\nMn Zn Bi O\n8 8 8 40\ndirect\n0.966062 0.395509 0.406574 Mn\n0.533938 0.895509 0.593426 Mn\n0.033938 0.604491 0.593426 Mn\n0.466062 0.104491 0.406574 Mn\n0.033938 0.104491 0.906574 Mn\n0.966062 0.895509 0.093426 Mn\n0.533938 0.395509 0.906574 Mn\n0.466062 0.604491 0.093426 Mn\n0.479285 0.360011 0.541749 Zn\n0.979285 0.139989 0.541749 Zn\n0.979285 0.639989 0.958251 Zn\n0.020715 0.360011 0.041749 Zn\n0.520715 0.139989 0.041749 Zn\n0.020715 0.860011 0.458251 Zn\n0.520715 0.639989 0.458251 Zn\n0.479285 0.860011 0.958251 Zn\n0.990903 0.855863 0.774513 Bi\n0.009097 0.144137 0.225487 Bi\n0.509097 0.355863 0.225487 Bi\n0.009097 0.644137 0.274513 Bi\n0.490903 0.144137 0.725487 Bi\n0.490903 0.644137 0.774513 Bi\n0.509097 0.855863 0.274513 Bi\n0.990903 0.355863 0.725487 Bi\n0.919036 0.334700 0.302377 O\n0.316246 0.044159 0.943795 O\n0.183754 0.544159 0.056205 O\n0.302988 0.781843 0.853948 O\n0.197012 0.281843 0.146052 O\n0.919036 0.834700 0.197623 O\n0.197012 0.781843 0.353948 O\n0.580964 0.834700 0.697623 O\n0.316246 0.544159 0.556205 O\n0.080964 0.665300 0.697623 O\n0.580964 0.334700 0.802377 O\n0.637854 0.197017 0.475553 O\n0.816246 0.955841 0.556205 O\n0.697012 0.718157 0.353948 O\n0.165558 0.020553 0.119209 O\n0.816246 0.455841 0.943795 O\n0.080964 0.165300 0.802377 O\n0.802988 0.218157 0.646052 O\n0.137854 0.802983 0.024447 O\n0.183754 0.044159 0.443795 O\n0.362146 0.802983 0.524447 O\n0.834442 0.979447 0.880791 O\n0.697012 0.218157 0.146052 O\n0.665558 0.979447 0.380791 O\n0.362146 0.302983 0.975553 O\n0.137854 0.302983 0.475553 O\n0.683754 0.455841 0.443795 O\n0.683754 0.955841 0.056205 O\n0.665558 0.479447 0.119209 O\n0.862146 0.697017 0.524447 O\n0.862146 0.197017 0.975553 O\n0.637854 0.697017 0.024447 O\n0.834442 0.479447 0.619209 O\n0.802988 0.718157 0.853948 O\n0.302988 0.281843 0.646052 O\n0.165558 0.520553 0.380791 O\n0.334442 0.520553 0.880791 O\n0.419036 0.165300 0.302377 O\n0.334442 0.020553 0.619209 O\n0.419036 0.665300 0.197623 O\n",
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{
"id": "mp-555967",
"created_at": "2022-09-04T14:46:08.235867Z",
"structure_string": "Ta2 P8 S8 Cl10\n1.0\n-7.086509 0.000000 0.000000\n3.477995 8.989604 0.000000\n-0.764868 -3.271830 -13.711574\nTa P S Cl\n2 8 8 10\ndirect\n0.868407 0.263154 0.168087 Ta\n0.131593 0.736846 0.831913 Ta\n0.881939 0.615248 0.424751 P\n0.118061 0.384752 0.575249 P\n0.881497 0.560092 0.251273 P\n0.118503 0.439908 0.748727 P\n0.926916 0.083164 0.664512 P\n0.290296 0.176541 0.670320 P\n0.709704 0.823459 0.329680 P\n0.073084 0.916836 0.335488 P\n0.873798 0.171647 0.548048 S\n0.126213 0.747304 0.222374 S\n0.645949 0.624284 0.214873 S\n0.873787 0.252696 0.777626 S\n0.126202 0.828353 0.451952 S\n0.648634 0.706780 0.444625 S\n0.351366 0.293220 0.555375 S\n0.354051 0.375716 0.785127 S\n0.887155 0.622159 0.934557 Cl\n0.142155 0.982974 0.884377 Cl\n0.382866 0.747740 0.936246 Cl\n0.112845 0.377841 0.065443 Cl\n0.624947 0.218993 0.288897 Cl\n0.375053 0.781007 0.711103 Cl\n0.123253 0.342321 0.290141 Cl\n0.876747 0.657679 0.709859 Cl\n0.617134 0.252260 0.063754 Cl\n0.857845 0.017026 0.115623 Cl\n",
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{
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"created_at": "2022-09-04T14:40:32.649309Z",
"structure_string": "Sr2 Re6 Se8 O22\n1.0\n9.031206 0.000000 0.000000\n3.695625 9.003040 0.000000\n2.112303 3.666056 10.742754\nSr Re Se O\n2 6 8 22\ndirect\n0.951941 0.304248 0.947263 Sr\n0.048059 0.695752 0.052737 Sr\n0.732592 0.503759 0.652145 Re\n0.267408 0.496241 0.347855 Re\n0.668441 0.597212 0.295781 Re\n0.331559 0.402788 0.704219 Re\n0.322690 0.781872 0.475175 Re\n0.677310 0.218128 0.524825 Re\n0.848110 0.385993 0.460836 Se\n0.151890 0.614007 0.539164 Se\n0.376852 0.739400 0.269213 Se\n0.623148 0.260600 0.730787 Se\n0.410278 0.626127 0.694531 Se\n0.589722 0.373873 0.305469 Se\n0.618980 0.745649 0.441641 Se\n0.381020 0.254351 0.558359 Se\n0.732742 0.654069 0.698084 O\n0.267258 0.345931 0.301916 O\n0.775818 0.665809 0.163229 O\n0.224182 0.334191 0.836771 O\n0.210931 0.971173 0.462598 O\n0.789069 0.028827 0.537402 O\n0.569768 0.502019 0.988933 O\n0.430232 0.497981 0.011067 O\n0.030960 0.445020 0.054957 O\n0.969040 0.554980 0.945043 O\n0.772703 0.091662 0.069586 O\n0.227297 0.908338 0.930414 O\n0.204102 0.101184 0.100844 O\n0.795898 0.898816 0.899156 O\n0.904118 0.345031 0.722494 O\n0.095882 0.654969 0.277506 O\n0.843339 0.152541 0.133936 O\n0.156661 0.847459 0.866064 O\n0.286105 0.144464 0.145966 O\n0.713895 0.855536 0.854034 O\n0.629239 0.087439 0.113956 O\n0.370761 0.912561 0.886044 O\n",
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{
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"created_at": "2022-09-04T14:42:11.800420Z",
"structure_string": "Na8 Ga12 Sb12\n1.0\n4.353792 0.000000 0.000000\n0.000000 7.357793 0.000000\n0.000000 0.000000 27.266591\nNa Ga Sb\n8 12 12\ndirect\n0.250000 0.221133 0.496098 Na\n0.750000 0.778867 0.503902 Na\n0.750000 0.721133 0.003902 Na\n0.250000 0.278867 0.996098 Na\n0.250000 0.249471 0.816434 Na\n0.750000 0.750529 0.183566 Na\n0.750000 0.749471 0.683566 Na\n0.250000 0.250529 0.316434 Na\n0.250000 0.547539 0.618430 Ga\n0.750000 0.452461 0.381570 Ga\n0.750000 0.047539 0.881570 Ga\n0.250000 0.952461 0.118430 Ga\n0.250000 0.071590 0.207211 Ga\n0.750000 0.928410 0.792789 Ga\n0.750000 0.571590 0.292789 Ga\n0.250000 0.428410 0.707211 Ga\n0.750000 0.397024 0.122634 Ga\n0.250000 0.602976 0.877366 Ga\n0.250000 0.897024 0.377366 Ga\n0.750000 0.102976 0.622634 Ga\n0.750000 0.204836 0.719961 Sb\n0.250000 0.795164 0.280039 Sb\n0.250000 0.704836 0.780039 Sb\n0.750000 0.295164 0.219961 Sb\n0.250000 0.909456 0.593100 Sb\n0.750000 0.090544 0.406900 Sb\n0.750000 0.409456 0.906900 Sb\n0.250000 0.590544 0.093100 Sb\n0.750000 0.412772 0.571980 Sb\n0.250000 0.587228 0.428020 Sb\n0.250000 0.912772 0.928020 Sb\n0.750000 0.087228 0.071980 Sb\n",
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"formula_full": "Na8 Ga12 Sb12",
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