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{
"id": "mp-30727",
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{
"id": "mp-1194787",
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"structure_string": "Cd8 B24 Pb4 O48\n1.0\n7.086544 0.000000 0.000000\n0.000000 6.647706 0.000000\n0.000000 6.577726 19.491247\nCd B Pb O\n8 24 4 48\ndirect\n0.268547 0.546730 0.525969 Cd\n0.231453 0.546730 0.025969 Cd\n0.731453 0.453270 0.474031 Cd\n0.768547 0.453270 0.974031 Cd\n0.247246 0.047053 0.735659 Cd\n0.252754 0.047053 0.235659 Cd\n0.752754 0.952947 0.264341 Cd\n0.747246 0.952947 0.764341 Cd\n0.937250 0.262903 0.626131 B\n0.562750 0.262903 0.126131 B\n0.062750 0.737097 0.373869 B\n0.437250 0.737097 0.873869 B\n0.309570 0.116183 0.535113 B\n0.190430 0.116183 0.035113 B\n0.690430 0.883817 0.464887 B\n0.809570 0.883817 0.964887 B\n0.431376 0.783599 0.622715 B\n0.068624 0.783599 0.122715 B\n0.568624 0.216401 0.377285 B\n0.931376 0.216401 0.877285 B\n0.592998 0.138901 0.608809 B\n0.907002 0.138901 0.108809 B\n0.407002 0.861099 0.391191 B\n0.092998 0.861099 0.891191 B\n0.529793 0.405004 0.676839 B\n0.970207 0.405004 0.176839 B\n0.470207 0.594996 0.323161 B\n0.029793 0.594996 0.823161 B\n0.307760 0.565117 0.741044 B\n0.192240 0.565117 0.241044 B\n0.692240 0.434883 0.258956 B\n0.807760 0.434883 0.758956 B\n0.925758 0.771481 0.611703 Pb\n0.574242 0.771481 0.111703 Pb\n0.074242 0.228519 0.388297 Pb\n0.425758 0.228519 0.888297 Pb\n0.600956 0.909250 0.624114 O\n0.899044 0.909250 0.124114 O\n0.399044 0.090750 0.375886 O\n0.100956 0.090750 0.875886 O\n0.471438 0.576149 0.615871 O\n0.028562 0.576149 0.115871 O\n0.528562 0.423851 0.384129 O\n0.971438 0.423851 0.884129 O\n0.528832 0.190938 0.669999 O\n0.971168 0.190938 0.169999 O\n0.471168 0.809062 0.330001 O\n0.028832 0.809062 0.830001 O\n0.396367 0.385898 0.735293 O\n0.103633 0.385898 0.235293 O\n0.603633 0.614102 0.264707 O\n0.896367 0.614102 0.764707 O\n0.220629 0.539112 0.803051 O\n0.279371 0.539112 0.303051 O\n0.779371 0.460888 0.196949 O\n0.720629 0.460888 0.696949 O\n0.052549 0.435536 0.607335 O\n0.447451 0.435536 0.107335 O\n0.947451 0.564464 0.392665 O\n0.552549 0.564464 0.892665 O\n0.305259 0.896566 0.564708 O\n0.194741 0.896566 0.064708 O\n0.694741 0.103434 0.435292 O\n0.805259 0.103434 0.935292 O\n0.779967 0.244596 0.584683 O\n0.720033 0.244596 0.084683 O\n0.220033 0.755404 0.415317 O\n0.279967 0.755404 0.915317 O\n0.461829 0.232396 0.550034 O\n0.038171 0.232396 0.050034 O\n0.538171 0.767604 0.449966 O\n0.961829 0.767604 0.949966 O\n0.317741 0.756072 0.689417 O\n0.182259 0.756072 0.189417 O\n0.682259 0.243928 0.310583 O\n0.817741 0.243928 0.810583 O\n0.168109 0.229928 0.496871 O\n0.331891 0.229928 0.996871 O\n0.831891 0.770072 0.503129 O\n0.668109 0.770072 0.003129 O\n0.970213 0.092973 0.684779 O\n0.529787 0.092973 0.184779 O\n0.029787 0.907027 0.315221 O\n0.470213 0.907027 0.815221 O\n",
"nsites": 84,
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"elements": [
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"density_atomic": 0.09148151934229233,
"volume": 918.2182434651193,
"volume_molar": 6.582904179222499,
"formula_full": "Cd8 B24 Pb4 O48",
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{
"id": "mp-1095833",
"created_at": "2022-09-04T14:39:15.586492Z",
"structure_string": "Tl2 Hg1 Te1\n1.0\n-6.231816 6.714612 8.778527\n6.231816 -6.714612 8.778527\n6.231816 6.714612 -8.778527\nTl Hg Te\n2 1 1\ndirect\n0.785815 0.000000 0.785815 Tl\n0.214185 0.000000 0.214185 Tl\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Te\n",
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"volume": 1469.3226883356563,
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"formula_full": "Tl2 Hg1 Te1",
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"updated_at": "2021-11-28T01:34:31.576000Z",
"spacegroup": 71
},
{
"id": "mp-753637",
"created_at": "2022-09-04T14:39:15.618972Z",
"structure_string": "Li4 V4 O2 F12\n1.0\n-5.320810 0.000000 0.000000\n-0.492188 -6.884867 0.000000\n1.855830 2.715421 7.801023\nLi V O F\n4 4 2 12\ndirect\n0.669084 0.244576 0.898656 Li\n0.141092 0.010883 0.744550 Li\n0.866787 0.992042 0.266080 Li\n0.315617 0.745755 0.085611 Li\n0.730221 0.719056 0.823672 V\n0.175517 0.477591 0.667816 V\n0.835849 0.517144 0.331847 V\n0.286742 0.286154 0.196615 V\n0.062238 0.618192 0.877153 O\n0.168861 0.420565 0.410738 O\n0.365213 0.184439 0.963660 F\n0.549677 0.440749 0.782697 F\n0.082566 0.198085 0.623138 F\n0.349452 0.758665 0.707719 F\n0.825489 0.986231 0.817347 F\n0.799219 0.586804 0.578558 F\n0.171371 0.017864 0.182060 F\n0.665114 0.243418 0.297786 F\n0.920311 0.793316 0.371727 F\n0.452997 0.554465 0.219946 F\n0.926608 0.379525 0.096562 F\n0.639974 0.824480 0.056062 F\n",
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"formula_full": "Li4 V4 O2 F12",
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"spacegroup": 1
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{
"id": "mp-1114627",
"created_at": "2022-09-04T14:39:15.450790Z",
"structure_string": "Rb3 La1 Cl6\n1.0\n0.000000 5.900858 5.900858\n5.900858 0.000000 5.900858\n5.900858 5.900858 0.000000\nRb La Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 La\n0.765122 0.234878 0.234878 Cl\n0.234878 0.234878 0.765122 Cl\n0.234878 0.765122 0.765122 Cl\n0.234878 0.765122 0.234878 Cl\n0.765122 0.234878 0.765122 Cl\n0.765122 0.765122 0.234878 Cl\n",
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"volume": 410.9372279414689,
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"formula_full": "Rb3 La1 Cl6",
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"spacegroup": 225
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{
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"created_at": "2022-09-04T14:39:15.452195Z",
"structure_string": "Yb2 Sn4 Pd2\n1.0\n2.220803 -5.553986 0.000000\n2.220803 5.553986 0.000000\n0.000000 0.000000 7.557483\nYb Sn Pd\n2 4 2\ndirect\n0.428881 0.571119 0.250000 Yb\n0.571119 0.428881 0.750000 Yb\n0.859978 0.140022 0.543613 Sn\n0.140022 0.859978 0.456387 Sn\n0.859978 0.140022 0.956386 Sn\n0.140022 0.859978 0.043613 Sn\n0.297465 0.702535 0.750000 Pd\n0.702535 0.297465 0.250000 Pd\n",
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{
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{
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"created_at": "2022-09-04T14:39:15.469291Z",
"structure_string": "Sr4 Y2 Mo4 O14\n1.0\n-2.740567 2.889093 13.529583\n2.740567 -2.889093 13.529583\n2.740567 2.889093 -13.529583\nSr Y Mo O\n4 2 4 14\ndirect\n0.780459 0.720834 0.876745 Sr\n0.155911 0.279166 0.059625 Sr\n0.655911 0.596286 0.876745 Sr\n0.280459 0.403714 0.059625 Sr\n0.512421 0.500000 0.012421 Y\n0.012421 0.000000 0.012421 Y\n0.434381 0.924095 0.510685 Mo\n0.586591 0.075905 0.510287 Mo\n0.086591 0.576304 0.510685 Mo\n0.934381 0.423696 0.510287 Mo\n0.991769 0.552744 0.044513 O\n0.491769 0.447256 0.439026 O\n0.200780 0.193327 0.498671 O\n0.305344 0.806673 0.007453 O\n0.805344 0.797891 0.498671 O\n0.700780 0.202109 0.007453 O\n0.728791 0.696231 0.526203 O\n0.829972 0.303769 0.032560 O\n0.329972 0.297412 0.526203 O\n0.228791 0.702588 0.032560 O\n0.927562 0.376784 0.597572 O\n0.220787 0.623216 0.550778 O\n0.720787 0.170010 0.597572 O\n0.427562 0.829990 0.550778 O\n",
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{
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"structure_string": "Y4 Bi4 O14\n1.0\n0.000000 5.468768 5.468768\n5.468768 0.000000 5.468768\n5.468768 5.468768 0.000000\nY Bi O\n4 4 14\ndirect\n0.625000 0.125000 0.625000 Y\n0.625000 0.625000 0.125000 Y\n0.125000 0.625000 0.625000 Y\n0.625000 0.625000 0.625000 Y\n0.125000 0.125000 0.125000 Bi\n0.625000 0.125000 0.125000 Bi\n0.125000 0.125000 0.625000 Bi\n0.125000 0.625000 0.125000 Bi\n0.772080 0.227920 0.227920 O\n0.022080 0.477920 0.477920 O\n0.227920 0.227920 0.772080 O\n0.772080 0.772080 0.227920 O\n0.500000 0.500000 0.500000 O\n0.772080 0.227920 0.772080 O\n0.227920 0.772080 0.227920 O\n0.477920 0.022080 0.477920 O\n0.022080 0.022080 0.477920 O\n0.477920 0.477920 0.022080 O\n0.750000 0.750000 0.750000 O\n0.022080 0.477920 0.022080 O\n0.227920 0.772080 0.772080 O\n0.477920 0.022080 0.022080 O\n",
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{
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"structure_string": "Mg2 Ag1 Pt1\n1.0\n0.000000 3.245848 3.245848\n3.245848 0.000000 3.245848\n3.245848 3.245848 0.000000\nMg Ag Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pt\n",
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