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{
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{
"id": "mp-504990",
"created_at": "2022-09-04T14:48:21.205149Z",
"structure_string": "Rb4 Ce4 H8 S8 O36\n1.0\n8.908959 0.000000 0.000000\n0.000000 10.288322 0.000000\n0.000000 5.072064 9.337193\nRb Ce H S O\n4 4 8 8 36\ndirect\n0.186520 0.218541 0.306839 Rb\n0.686520 0.781459 0.193161 Rb\n0.813480 0.781459 0.693161 Rb\n0.313480 0.218541 0.806839 Rb\n0.847012 0.263515 0.970523 Ce\n0.347012 0.736485 0.529477 Ce\n0.152988 0.736485 0.029477 Ce\n0.652988 0.263515 0.470523 Ce\n0.519315 0.271326 0.064976 H\n0.019315 0.728674 0.435024 H\n0.480685 0.728674 0.935024 H\n0.980685 0.271326 0.564976 H\n0.534252 0.418249 0.920564 H\n0.034252 0.581751 0.579436 H\n0.465748 0.581751 0.079436 H\n0.965748 0.418249 0.420564 H\n0.817571 0.477405 0.114560 S\n0.317571 0.522595 0.385440 S\n0.182429 0.522595 0.885440 S\n0.682429 0.477405 0.614560 S\n0.869079 0.053514 0.823757 S\n0.369079 0.946486 0.676243 S\n0.130921 0.946486 0.176243 S\n0.630921 0.053514 0.323757 S\n0.895238 0.331924 0.163472 O\n0.395238 0.668076 0.336528 O\n0.104762 0.668076 0.836528 O\n0.604762 0.331924 0.663472 O\n0.754687 0.520354 0.970379 O\n0.254687 0.479646 0.529621 O\n0.245313 0.479646 0.029621 O\n0.745313 0.520354 0.470379 O\n0.923898 0.591510 0.109456 O\n0.423898 0.408490 0.390544 O\n0.076102 0.408490 0.890544 O\n0.576102 0.591510 0.609456 O\n0.696620 0.461480 0.218136 O\n0.196620 0.538520 0.281864 O\n0.303380 0.538520 0.781864 O\n0.803380 0.461480 0.718136 O\n0.974776 0.179697 0.787787 O\n0.474776 0.820303 0.712213 O\n0.025224 0.820303 0.212213 O\n0.525224 0.179697 0.287787 O\n0.760002 0.055126 0.930922 O\n0.260002 0.944874 0.569078 O\n0.239998 0.944874 0.069078 O\n0.739998 0.055126 0.430922 O\n0.949104 0.909025 0.887669 O\n0.449104 0.090975 0.612331 O\n0.050896 0.090975 0.112331 O\n0.550896 0.909025 0.387669 O\n0.790008 0.071428 0.693353 O\n0.290008 0.928572 0.806647 O\n0.209992 0.928572 0.306647 O\n0.709992 0.071428 0.193353 O\n0.552322 0.311438 0.964769 O\n0.052322 0.688562 0.535231 O\n0.447678 0.688562 0.035231 O\n0.947678 0.311438 0.464769 O\n",
"nsites": 60,
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],
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"formula_full": "Rb4 Ce4 H8 S8 O36",
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"updated_at": "2021-11-28T01:39:29.817000Z",
"spacegroup": 14
},
{
"id": "mp-27536",
"created_at": "2022-09-04T14:48:20.997573Z",
"structure_string": "U2 Br2 O4\n1.0\n2.074350 -10.625053 0.000000\n2.074350 10.625053 0.000000\n0.000000 0.000000 4.009983\nU Br O\n2 2 4\ndirect\n0.925638 0.074362 0.250000 U\n0.074362 0.925638 0.750000 U\n0.822758 0.177242 0.750000 Br\n0.177242 0.822758 0.250000 Br\n0.423736 0.576264 0.250000 O\n0.576264 0.423736 0.750000 O\n0.965479 0.034521 0.750000 O\n0.034521 0.965479 0.250000 O\n",
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"elements": [
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],
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"density": 6.574711857770845,
"density_atomic": 0.045258933838970936,
"volume": 176.7606817355355,
"volume_molar": 13.305971328061949,
"formula_full": "U2 Br2 O4",
"formula_reduced": "UBrO2",
"formula_anonymous": "ABC2",
"energy": -71.00081948,
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"updated_at": "2021-11-28T01:39:37.110000Z",
"spacegroup": 63
},
{
"id": "mp-699473",
"created_at": "2022-09-04T14:48:21.001176Z",
"structure_string": "Li4 B24 H52 O14\n1.0\n4.686628 -6.081676 0.000000\n4.686628 6.081676 0.000000\n0.000000 0.000000 14.781186\nLi B H O\n4 24 52 14\ndirect\n0.814869 0.090957 0.250000 Li\n0.909043 0.185131 0.750000 Li\n0.185131 0.909043 0.750000 Li\n0.090957 0.814869 0.250000 Li\n0.320391 0.320391 0.984746 B\n0.679609 0.679609 0.015254 B\n0.320391 0.320391 0.515254 B\n0.679609 0.679609 0.484746 B\n0.398669 0.398669 0.094479 B\n0.601331 0.601331 0.905521 B\n0.398669 0.398669 0.405521 B\n0.601331 0.601331 0.594479 B\n0.489743 0.636359 0.089090 B\n0.363641 0.510257 0.910910 B\n0.489743 0.636359 0.410910 B\n0.363641 0.510257 0.589090 B\n0.510257 0.363641 0.910910 B\n0.636359 0.489743 0.089090 B\n0.510257 0.363641 0.589090 B\n0.636359 0.489743 0.410910 B\n0.531731 0.295148 0.024377 B\n0.704852 0.468269 0.975623 B\n0.531731 0.295148 0.475623 B\n0.704852 0.468269 0.524377 B\n0.468269 0.704852 0.975623 B\n0.295148 0.531731 0.024377 B\n0.468269 0.704852 0.524377 B\n0.295148 0.531731 0.475623 B\n0.762372 0.762372 0.197656 H\n0.237628 0.237628 0.802344 H\n0.762372 0.762372 0.302344 H\n0.237628 0.237628 0.697656 H\n0.162218 0.521449 0.197569 H\n0.478551 0.837782 0.802431 H\n0.162218 0.521449 0.302431 H\n0.478551 0.837782 0.697569 H\n0.837782 0.478551 0.802431 H\n0.521449 0.162218 0.197569 H\n0.837782 0.478551 0.697569 H\n0.521449 0.162218 0.302431 H\n0.213640 0.036250 0.393501 H\n0.963750 0.786360 0.606499 H\n0.213640 0.036250 0.106499 H\n0.963750 0.786360 0.893501 H\n0.786360 0.963750 0.606499 H\n0.036250 0.213640 0.393501 H\n0.786360 0.963750 0.893501 H\n0.036250 0.213640 0.106499 H\n0.244141 0.846466 0.406402 H\n0.153534 0.755859 0.593598 H\n0.244141 0.846466 0.093598 H\n0.153534 0.755859 0.906402 H\n0.755859 0.153534 0.593598 H\n0.846466 0.244141 0.406402 H\n0.755859 0.153534 0.906402 H\n0.846466 0.244141 0.093598 H\n0.193047 0.193047 0.973915 H\n0.806953 0.806953 0.026085 H\n0.193047 0.193047 0.526085 H\n0.806953 0.806953 0.473915 H\n0.325244 0.325244 0.161892 H\n0.674756 0.674756 0.838108 H\n0.325244 0.325244 0.338108 H\n0.674756 0.674756 0.661892 H\n0.480100 0.732979 0.151730 H\n0.267021 0.519900 0.848270 H\n0.480100 0.732979 0.348270 H\n0.267021 0.519900 0.651730 H\n0.519900 0.267021 0.848270 H\n0.732979 0.480100 0.151730 H\n0.519900 0.267021 0.651730 H\n0.732979 0.480100 0.348270 H\n0.556600 0.149844 0.041352 H\n0.850156 0.443400 0.958648 H\n0.556600 0.149844 0.458648 H\n0.850156 0.443400 0.541352 H\n0.443400 0.850156 0.958648 H\n0.149844 0.556600 0.041352 H\n0.443400 0.850156 0.541352 H\n0.149844 0.556600 0.458648 H\n0.826800 0.826800 0.250000 O\n0.173200 0.173200 0.750000 O\n0.112597 0.569116 0.250000 O\n0.430884 0.887403 0.750000 O\n0.887403 0.430884 0.750000 O\n0.569116 0.112597 0.250000 O\n0.179950 0.914259 0.368926 O\n0.085741 0.820050 0.631074 O\n0.179950 0.914259 0.131074 O\n0.085741 0.820050 0.868926 O\n0.820050 0.085741 0.631074 O\n0.914259 0.179950 0.368926 O\n0.820050 0.085741 0.868926 O\n0.914259 0.179950 0.131074 O\n",
"nsites": 94,
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"elements": [
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],
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"density": 1.110764699738879,
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"volume": 842.6030755790713,
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"formula_full": "Li4 B24 H52 O14",
"formula_reduced": "Li2B12H26O7",
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"updated_at": "2021-11-28T01:39:02.375000Z",
"spacegroup": 63
},
{
"id": "mp-1194606",
"created_at": "2022-09-04T14:48:21.021036Z",
"structure_string": "H24 Pb4 C12 S8 I4 N4\n1.0\n0.000000 -8.466718 0.000000\n-9.708203 0.000000 4.802343\n-0.007275 0.000000 -11.812941\nH Pb C S I N\n24 4 12 8 4 4\ndirect\n0.069660 0.148359 0.982815 H\n0.569660 0.851641 0.517185 H\n0.930340 0.851641 0.017185 H\n0.430340 0.148359 0.482815 H\n0.079154 0.970173 0.868803 H\n0.579154 0.029827 0.631197 H\n0.920846 0.029827 0.131197 H\n0.420846 0.970173 0.368803 H\n0.247208 0.079532 0.895714 H\n0.747208 0.920468 0.604286 H\n0.752792 0.920468 0.104286 H\n0.252792 0.079532 0.395714 H\n0.078213 0.053009 0.598294 H\n0.578213 0.946991 0.901706 H\n0.921787 0.946991 0.401706 H\n0.421787 0.053009 0.098294 H\n0.252377 0.022792 0.667377 H\n0.752377 0.977208 0.832623 H\n0.747623 0.977208 0.332623 H\n0.247623 0.022792 0.167377 H\n0.083831 0.914068 0.642719 H\n0.583831 0.085932 0.857281 H\n0.916169 0.085932 0.357281 H\n0.416169 0.914068 0.142719 H\n0.766157 0.493189 0.878624 Pb\n0.266157 0.506811 0.621376 Pb\n0.233843 0.506811 0.121376 Pb\n0.733843 0.493189 0.378624 Pb\n0.977064 0.224253 0.816070 C\n0.477064 0.775747 0.683930 C\n0.022936 0.775747 0.183930 C\n0.522936 0.224253 0.316070 C\n0.117507 0.075621 0.891461 C\n0.617507 0.924379 0.608539 C\n0.882493 0.924379 0.108539 C\n0.382493 0.075621 0.391461 C\n0.122659 0.019846 0.667300 C\n0.622659 0.980154 0.832700 C\n0.877341 0.980154 0.332700 C\n0.377341 0.019846 0.167300 C\n0.910700 0.326001 0.968957 S\n0.410700 0.673999 0.531043 S\n0.089300 0.673999 0.031043 S\n0.589300 0.326001 0.468957 S\n0.926269 0.267213 0.696913 S\n0.426269 0.732787 0.803087 S\n0.073731 0.732787 0.303087 S\n0.573731 0.267213 0.196913 S\n0.573787 0.653524 0.181503 I\n0.073787 0.346476 0.318497 I\n0.426213 0.346476 0.818497 I\n0.926213 0.653524 0.681503 I\n0.064650 0.112420 0.792792 N\n0.564650 0.887580 0.707208 N\n0.935350 0.887580 0.207208 N\n0.435350 0.112420 0.292792 N\n",
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"formula_full": "H24 Pb4 C12 S8 I4 N4",
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{
"id": "mp-977388",
"created_at": "2022-09-04T14:48:21.253177Z",
"structure_string": "Ho2 Mg2 Sn2\n1.0\n-2.193937 2.193937 7.942746\n2.193937 -2.193937 7.942746\n2.193937 2.193937 -7.942746\nHo Mg Sn\n2 2 2\ndirect\n0.667631 0.667631 0.000000 Ho\n0.332369 0.332369 0.000000 Ho\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.135825 0.135825 0.000000 Sn\n0.864175 0.864175 0.000000 Sn\n",
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{
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"structure_string": "Cs1 Ge1 I3\n1.0\n4.370306 -4.254406 0.000000\n4.370306 4.254406 0.000000\n0.228725 0.000000 6.094853\nCs Ge I\n1 1 3\ndirect\n0.000025 0.000025 0.000025 Cs\n0.468426 0.468426 0.468426 Ge\n0.011103 0.504223 0.504223 I\n0.504223 0.504223 0.011103 I\n0.504223 0.011103 0.504223 I\n",
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{
"id": "mp-1189137",
"created_at": "2022-09-04T14:48:21.094364Z",
"structure_string": "Hg5 Br11 N1\n1.0\n7.958383 6.456617 0.000000\n-7.958383 6.456617 0.000000\n0.000000 3.325254 6.119191\nHg Br N\n5 11 1\ndirect\n0.148326 0.482256 0.683891 Hg\n0.482256 0.148326 0.683891 Hg\n0.851674 0.517744 0.316109 Hg\n0.517744 0.851674 0.316109 Hg\n0.000000 0.000000 0.000000 Hg\n0.079026 0.327984 0.071554 Br\n0.327984 0.079026 0.071554 Br\n0.920974 0.672016 0.928446 Br\n0.672016 0.920974 0.928446 Br\n0.204231 0.639616 0.302133 Br\n0.639616 0.204231 0.302133 Br\n0.795769 0.360384 0.697867 Br\n0.360384 0.795769 0.697867 Br\n0.144224 0.144224 0.605172 Br\n0.855776 0.855776 0.394828 Br\n0.500000 0.500000 0.500000 Br\n0.500000 0.500000 0.000000 N\n",
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},
{
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"structure_string": "In2 Pd6\n1.0\n-2.066515 2.066515 7.742287\n2.066515 -2.066515 7.742287\n2.066515 2.066515 -7.742287\nIn Pd\n2 6\ndirect\n0.874773 0.874773 0.000000 In\n0.125227 0.125227 0.000000 In\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n0.626054 0.626054 0.000000 Pd\n0.373946 0.373946 0.000000 Pd\n",
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