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{
"id": "mp-800838",
"created_at": "2022-09-04T14:48:10.020875Z",
"structure_string": "Mn2 Al2 P4 H30 O30\n1.0\n9.711474 0.000000 0.000000\n-1.600761 10.066206 0.000000\n-1.160236 -2.558561 6.423224\nMn Al P H O\n2 2 4 30 30\ndirect\n0.949689 0.676967 0.301648 Mn\n0.050311 0.323033 0.698352 Mn\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.646864 0.258152 0.297509 P\n0.253604 0.096097 0.298182 P\n0.746396 0.903903 0.701818 P\n0.353136 0.741848 0.702491 P\n0.945642 0.666820 0.012597 H\n0.780661 0.537775 0.003031 H\n0.995073 0.175038 0.149182 H\n0.468411 0.685757 0.069234 H\n0.857729 0.227118 0.144837 H\n0.448812 0.482881 0.130520 H\n0.460955 0.087385 0.122977 H\n0.196082 0.020318 0.057207 H\n0.690935 0.721361 0.260454 H\n0.219056 0.710964 0.307982 H\n0.442026 0.681182 0.317296 H\n0.753719 0.791260 0.420163 H\n0.918847 0.264981 0.405653 H\n0.162130 0.514421 0.372001 H\n0.971150 0.851898 0.599098 H\n0.028850 0.148102 0.400902 H\n0.837870 0.485579 0.627999 H\n0.081153 0.735019 0.594347 H\n0.246281 0.208740 0.579837 H\n0.557974 0.318818 0.682704 H\n0.780944 0.289036 0.692018 H\n0.309065 0.278639 0.739546 H\n0.803918 0.979682 0.942793 H\n0.539045 0.912615 0.877023 H\n0.551188 0.517119 0.869480 H\n0.142271 0.772882 0.855163 H\n0.531589 0.314243 0.930766 H\n0.004927 0.824962 0.850818 H\n0.219339 0.462225 0.996969 H\n0.054358 0.333180 0.987403 H\n0.877021 0.602048 0.067467 O\n0.910030 0.167572 0.082274 O\n0.402300 0.577184 0.103256 O\n0.565369 0.135461 0.132863 O\n0.272372 0.125928 0.139969 O\n0.781844 0.802541 0.328383 O\n0.804136 0.356895 0.288282 O\n0.093206 0.985852 0.289750 O\n0.342178 0.965317 0.340739 O\n0.134198 0.582037 0.298112 O\n0.576363 0.415488 0.338383 O\n0.480130 0.720707 0.420874 O\n0.633308 0.101618 0.391284 O\n0.006695 0.257543 0.460781 O\n0.309804 0.314013 0.397484 O\n0.690196 0.685987 0.602516 O\n0.993305 0.742457 0.539219 O\n0.366692 0.898382 0.608716 O\n0.519870 0.279293 0.579126 O\n0.423637 0.584512 0.661617 O\n0.865802 0.417963 0.701888 O\n0.657822 0.034683 0.659261 O\n0.906794 0.014148 0.710250 O\n0.195864 0.643105 0.711718 O\n0.218156 0.197459 0.671617 O\n0.727628 0.874072 0.860031 O\n0.434631 0.864539 0.867137 O\n0.597700 0.422816 0.896744 O\n0.089970 0.832428 0.917726 O\n0.122979 0.397952 0.932533 O\n",
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"formula_full": "Mn2 Al2 P4 H30 O30",
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"energy": -325.37767614,
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"spacegroup": 2
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{
"id": "mp-1175778",
"created_at": "2022-09-04T14:48:10.022318Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.795434 0.000000 0.000000\n1.433028 6.422920 0.000000\n1.325083 0.237735 7.624321\nLi Mn Co O\n9 2 5 16\ndirect\n0.812614 0.617855 0.126344 Li\n0.938216 0.870829 0.382618 Li\n0.687582 0.379967 0.870485 Li\n0.557417 0.134177 0.619909 Li\n0.434887 0.871374 0.381736 Li\n0.317101 0.617321 0.130632 Li\n0.189941 0.381955 0.862148 Li\n0.064386 0.131188 0.625317 Li\n0.253956 0.497664 0.498916 Li\n0.996717 0.000194 0.001816 Mn\n0.127176 0.256246 0.255934 Mn\n0.375091 0.737155 0.743150 Co\n0.499170 0.001360 0.995720 Co\n0.624110 0.250675 0.252109 Co\n0.746697 0.499797 0.500033 Co\n0.881273 0.742971 0.740118 Co\n0.719962 0.958234 0.172145 O\n0.851912 0.192910 0.418222 O\n0.592881 0.702938 0.925085 O\n0.473978 0.445059 0.688847 O\n0.350101 0.189199 0.414039 O\n0.205779 0.955891 0.178422 O\n0.085565 0.710506 0.937486 O\n0.955189 0.446702 0.681793 O\n0.906699 0.290196 0.077724 O\n0.036436 0.538714 0.309531 O\n0.788258 0.055432 0.828740 O\n0.653709 0.806661 0.564588 O\n0.551533 0.537834 0.316562 O\n0.400263 0.303693 0.084297 O\n0.268759 0.060194 0.835161 O\n0.152644 0.815107 0.580376 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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"structure_string": "Ce2 W4 O16\n1.0\n4.148557 6.074245 0.000000\n-4.148557 6.074245 0.000000\n0.000000 4.238076 6.683575\nCe W O\n2 4 16\ndirect\n0.965094 0.034906 0.250000 Ce\n0.034906 0.965094 0.750000 Ce\n0.493506 0.938896 0.231708 W\n0.938896 0.493506 0.731708 W\n0.061104 0.506494 0.268292 W\n0.506494 0.061104 0.768292 W\n0.590486 0.673896 0.324719 O\n0.219595 0.978183 0.415066 O\n0.949447 0.360336 0.214027 O\n0.323972 0.987781 0.059307 O\n0.673896 0.590486 0.824719 O\n0.978183 0.219595 0.915066 O\n0.360336 0.949447 0.714027 O\n0.987781 0.323972 0.559307 O\n0.012219 0.676028 0.440693 O\n0.639664 0.050553 0.285973 O\n0.021817 0.780405 0.084934 O\n0.326104 0.409514 0.175281 O\n0.676028 0.012219 0.940693 O\n0.050553 0.639664 0.785973 O\n0.780405 0.021817 0.584934 O\n0.409514 0.326104 0.675281 O\n",
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"formula_full": "Ce2 W4 O16",
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{
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{
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"structure_string": "K8 Sn2 S8 O8\n1.0\n7.773337 0.000000 0.000000\n-2.826523 7.533281 0.000000\n-0.207794 -0.882896 11.837636\nK Sn S O\n8 2 8 8\ndirect\n0.202525 0.834915 0.471697 K\n0.797475 0.165085 0.528303 K\n0.597333 0.618946 0.349863 K\n0.402667 0.381054 0.650137 K\n0.421747 0.995326 0.833134 K\n0.578253 0.004674 0.166866 K\n0.043918 0.721388 0.105320 K\n0.956082 0.278612 0.894680 K\n0.812685 0.785955 0.716790 Sn\n0.187315 0.214045 0.283210 Sn\n0.744886 0.790368 0.923894 S\n0.255114 0.209632 0.076106 S\n0.549947 0.785293 0.606587 S\n0.450053 0.214707 0.393413 S\n0.887109 0.505422 0.701312 S\n0.112891 0.494578 0.298688 S\n0.079774 0.037366 0.687656 S\n0.920226 0.962634 0.312344 S\n0.271428 0.642633 0.927747 O\n0.728572 0.357367 0.072253 O\n0.634469 0.444052 0.119704 O\n0.365531 0.555948 0.880296 O\n0.298390 0.035517 0.043085 O\n0.701610 0.964483 0.956915 O\n0.289638 0.670457 0.277767 O\n0.710362 0.329543 0.722233 O\n",
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{
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"structure_string": "Sn4 P6 O20\n1.0\n5.083944 6.006830 0.000000\n-5.083944 6.006830 0.000000\n0.000000 4.618999 8.421772\nSn P O\n4 6 20\ndirect\n0.720503 0.641976 0.915814 Sn\n0.358024 0.279497 0.584186 Sn\n0.641976 0.720503 0.415814 Sn\n0.279497 0.358024 0.084186 Sn\n0.102661 0.897339 0.750000 P\n0.126508 0.580841 0.647571 P\n0.897339 0.102661 0.250000 P\n0.419159 0.873492 0.852429 P\n0.873492 0.419159 0.352429 P\n0.580841 0.126508 0.147571 P\n0.786845 0.435916 0.517539 O\n0.096216 0.140312 0.151915 O\n0.184343 0.781142 0.631795 O\n0.903784 0.859688 0.848085 O\n0.416397 0.082026 0.787975 O\n0.219221 0.428141 0.756614 O\n0.781142 0.184343 0.131795 O\n0.428141 0.219221 0.256614 O\n0.140312 0.096216 0.651915 O\n0.583603 0.917974 0.212025 O\n0.571859 0.780779 0.743386 O\n0.435916 0.786845 0.017539 O\n0.780779 0.571859 0.243386 O\n0.815657 0.218858 0.368205 O\n0.859688 0.903784 0.348085 O\n0.213155 0.564084 0.482461 O\n0.082026 0.416397 0.287975 O\n0.564084 0.213155 0.982461 O\n0.218858 0.815657 0.868205 O\n0.917974 0.583603 0.712025 O\n",
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{
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{
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{
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}