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{
"id": "mp-1047485",
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"structure_string": "Al2 Sb6 F30\n1.0\n10.867569 0.000000 0.000000\n0.000000 5.907212 0.000000\n0.000000 2.621311 10.173108\nAl Sb F\n2 6 30\ndirect\n0.750000 0.476549 0.759958 Al\n0.250000 0.523451 0.240042 Al\n0.500000 0.000000 0.500000 Sb\n0.557326 0.942532 0.163027 Sb\n0.442674 0.057468 0.836973 Sb\n0.000000 0.000000 0.500000 Sb\n0.942674 0.942532 0.163027 Sb\n0.057326 0.057468 0.836973 Sb\n0.750000 0.589514 0.597832 F\n0.750000 0.845688 0.177237 F\n0.750000 0.645783 0.864605 F\n0.250000 0.410486 0.402168 F\n0.250000 0.354217 0.135395 F\n0.250000 0.154312 0.822763 F\n0.381185 0.131528 0.600627 F\n0.419411 0.088791 0.328378 F\n0.415627 0.109797 0.025429 F\n0.618815 0.868472 0.399373 F\n0.584373 0.890203 0.974571 F\n0.580589 0.911209 0.671622 F\n0.087295 0.714367 0.542403 F\n0.118391 0.699449 0.204020 F\n0.113591 0.741328 0.869759 F\n0.912705 0.285633 0.457597 F\n0.886409 0.258672 0.130241 F\n0.881609 0.300551 0.795980 F\n0.587295 0.285633 0.457597 F\n0.613591 0.258672 0.130241 F\n0.618391 0.300551 0.795980 F\n0.412705 0.714367 0.542403 F\n0.381609 0.699449 0.204020 F\n0.386409 0.741328 0.869759 F\n0.118815 0.131528 0.600627 F\n0.080589 0.088791 0.328378 F\n0.084373 0.109797 0.025429 F\n0.881185 0.868472 0.399373 F\n0.915627 0.890203 0.974571 F\n0.919411 0.911209 0.671622 F\n",
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},
{
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"structure_string": "Rb2 Al1 Tl1 F6\n1.0\n0.000000 4.528080 4.528080\n4.528080 0.000000 4.528080\n4.528080 4.528080 0.000000\nRb Al Tl F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.203558 0.203558 0.796442 F\n0.203558 0.796442 0.796442 F\n0.796442 0.796442 0.203558 F\n0.203558 0.796442 0.203558 F\n0.796442 0.203558 0.796442 F\n0.796442 0.203558 0.203558 F\n",
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"density_atomic": 0.053855210888273004,
"volume": 185.68305341419625,
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"formula_full": "Rb2 Al1 Tl1 F6",
"formula_reduced": "Rb2AlTlF6",
"formula_anonymous": "ABC2D6",
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},
{
"id": "mp-559737",
"created_at": "2022-09-04T14:45:16.816880Z",
"structure_string": "Rb4 Tb6 Al2 F32\n1.0\n3.905407 -6.764363 0.000000\n3.905407 6.764363 0.000000\n0.000000 0.000000 12.765746\nRb Tb Al F\n4 6 2 32\ndirect\n0.333333 0.666667 0.435792 Rb\n0.666667 0.333333 0.564208 Rb\n0.666667 0.333333 0.935792 Rb\n0.333333 0.666667 0.064208 Rb\n0.167180 0.832820 0.750000 Tb\n0.832820 0.167180 0.250000 Tb\n0.167180 0.334359 0.750000 Tb\n0.334359 0.167180 0.250000 Tb\n0.665641 0.832820 0.750000 Tb\n0.832820 0.665641 0.250000 Tb\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.182686 0.817314 0.250000 F\n0.549924 0.099848 0.154309 F\n0.099848 0.549924 0.654309 F\n0.224234 0.112117 0.079852 F\n0.224234 0.112117 0.420148 F\n0.182686 0.365373 0.250000 F\n0.450076 0.900152 0.654309 F\n0.549924 0.450076 0.345691 F\n0.112117 0.224234 0.579852 F\n0.775766 0.887883 0.579852 F\n0.817314 0.182686 0.750000 F\n0.887883 0.112117 0.420148 F\n0.549924 0.099848 0.345691 F\n0.900152 0.450076 0.345691 F\n0.112117 0.887883 0.579852 F\n0.112117 0.887883 0.920148 F\n0.634627 0.817314 0.250000 F\n0.900152 0.450076 0.154309 F\n0.775766 0.887883 0.920148 F\n0.112117 0.224234 0.920148 F\n0.450076 0.549924 0.845691 F\n0.887883 0.775766 0.079852 F\n0.099848 0.549924 0.845691 F\n0.450076 0.900152 0.845691 F\n0.450076 0.549924 0.654309 F\n0.365373 0.182686 0.750000 F\n0.887883 0.112117 0.079852 F\n0.549924 0.450076 0.154309 F\n0.817314 0.634627 0.750000 F\n0.000000 0.000000 0.750000 F\n0.887883 0.775766 0.420148 F\n0.000000 0.000000 0.250000 F\n",
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"elements": [
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"formula_full": "Rb4 Tb6 Al2 F32",
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"updated_at": "2021-11-28T01:36:58.399000Z",
"spacegroup": 194
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{
"id": "mp-561413",
"created_at": "2022-09-04T14:41:56.192773Z",
"structure_string": "Rb4 Tb6 Al2 F32\n1.0\n3.785547 -6.556760 0.000000\n3.785547 6.556760 0.000000\n0.000000 0.000000 13.118971\nRb Tb Al F\n4 6 2 32\ndirect\n0.333333 0.666667 0.441198 Rb\n0.666667 0.333333 0.558802 Rb\n0.666667 0.333333 0.941198 Rb\n0.333333 0.666667 0.058802 Rb\n0.172016 0.827984 0.750000 Tb\n0.827984 0.172016 0.250000 Tb\n0.172016 0.344031 0.750000 Tb\n0.344031 0.172016 0.250000 Tb\n0.655969 0.827984 0.750000 Tb\n0.827984 0.655969 0.250000 Tb\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.188451 0.811549 0.250000 F\n0.885820 0.771641 0.578830 F\n0.449077 0.550923 0.652594 F\n0.114180 0.228359 0.078830 F\n0.114180 0.228359 0.421170 F\n0.376902 0.188451 0.750000 F\n0.000000 0.000000 0.250000 F\n0.771641 0.885820 0.421170 F\n0.101846 0.550923 0.652594 F\n0.449077 0.898154 0.652594 F\n0.228359 0.114180 0.578830 F\n0.811549 0.188451 0.750000 F\n0.550923 0.101846 0.347406 F\n0.771641 0.885820 0.078830 F\n0.885820 0.114180 0.921170 F\n0.885820 0.114180 0.578830 F\n0.623098 0.811549 0.250000 F\n0.550923 0.101846 0.152594 F\n0.114180 0.885820 0.421170 F\n0.114180 0.885820 0.078830 F\n0.898154 0.449077 0.347406 F\n0.550923 0.449077 0.347406 F\n0.228359 0.114180 0.921170 F\n0.898154 0.449077 0.152594 F\n0.101846 0.550923 0.847406 F\n0.449077 0.898154 0.847406 F\n0.188451 0.376902 0.250000 F\n0.449077 0.550923 0.847406 F\n0.885820 0.771641 0.921170 F\n0.811549 0.623098 0.750000 F\n0.000000 0.000000 0.750000 F\n0.550923 0.449077 0.152594 F\n",
"nsites": 44,
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{
"id": "mp-1113633",
"created_at": "2022-09-04T14:47:20.532348Z",
"structure_string": "Rb3 Al1 F6\n1.0\n0.000000 4.514408 4.514408\n4.514408 0.000000 4.514408\n4.514408 4.514408 0.000000\nRb Al F\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 Al\n0.796038 0.203962 0.203962 F\n0.203962 0.203962 0.796038 F\n0.203962 0.796038 0.796038 F\n0.203962 0.796038 0.203962 F\n0.796038 0.203962 0.796038 F\n0.796038 0.796038 0.203962 F\n",
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"formula_full": "Rb3 Al1 F6",
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{
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{
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{
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"structure_string": "Rb10 Al10 F40\n1.0\n-5.938500 5.938500 6.393003\n5.938500 -5.938500 6.393003\n5.938500 5.938500 -6.393003\nRb Al F\n10 10 40\ndirect\n0.029772 0.846546 0.500000 Rb\n0.346546 0.529772 0.500000 Rb\n0.153454 0.653454 0.183226 Rb\n0.470228 0.970228 0.816774 Rb\n0.846546 0.346546 0.816774 Rb\n0.653454 0.470228 0.500000 Rb\n0.970228 0.153454 0.500000 Rb\n0.529772 0.029772 0.183226 Rb\n0.750000 0.750000 0.000000 Rb\n0.250000 0.250000 0.000000 Rb\n0.576564 0.707537 0.284101 Al\n0.423436 0.292463 0.715899 Al\n0.292463 0.576564 0.869027 Al\n0.707537 0.423436 0.130973 Al\n0.923436 0.207537 0.130973 Al\n0.792463 0.923436 0.715899 Al\n0.207537 0.076564 0.284101 Al\n0.076564 0.792463 0.869027 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.138453 0.638453 0.500000 F\n0.361547 0.861547 0.500000 F\n0.861547 0.361547 0.500000 F\n0.638453 0.138453 0.500000 F\n0.781414 0.281414 0.062827 F\n0.718586 0.781414 0.500000 F\n0.281414 0.218586 0.500000 F\n0.218586 0.718586 0.937173 F\n0.152212 0.440314 0.870717 F\n0.569597 0.281495 0.129283 F\n0.559686 0.430403 0.711898 F\n0.718505 0.847788 0.288102 F\n0.069597 0.940314 0.288102 F\n0.059686 0.347788 0.129283 F\n0.930403 0.059686 0.711898 F\n0.218505 0.930403 0.870717 F\n0.847788 0.559686 0.129283 F\n0.430403 0.718505 0.870717 F\n0.440314 0.569597 0.288102 F\n0.281495 0.152212 0.711898 F\n0.001264 0.344282 0.345545 F\n0.655718 0.001264 0.656982 F\n0.344282 0.998736 0.343018 F\n0.998736 0.655718 0.654455 F\n0.155718 0.498736 0.654455 F\n0.844282 0.501264 0.345545 F\n0.498736 0.844282 0.343018 F\n0.501264 0.155718 0.656982 F\n0.066731 0.142308 0.209039 F\n0.857692 0.066731 0.924423 F\n0.142308 0.933269 0.075577 F\n0.933269 0.857692 0.790961 F\n0.357692 0.433269 0.790961 F\n0.642308 0.566731 0.209039 F\n0.433269 0.642308 0.075577 F\n0.566731 0.357692 0.924423 F\n0.347788 0.218505 0.288102 F\n0.781495 0.069597 0.129283 F\n0.940314 0.652212 0.870717 F\n0.652212 0.781495 0.711898 F\n",
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{
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"structure_string": "Rb1 Al1 F4\n1.0\n3.713790 0.000000 0.000000\n0.000000 3.713790 0.000000\n0.000000 0.000000 6.399373\nRb Al F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.778991 F\n0.500000 0.500000 0.221009 F\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n",
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