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{
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{
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{
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"structure_string": "Rb8 Na12 In4 O16\n1.0\n7.558261 0.000000 0.000000\n0.000000 9.784005 0.000000\n0.000000 0.000000 9.908691\nRb Na In O\n8 12 4 16\ndirect\n0.000000 0.231773 0.258952 Rb\n0.000000 0.768227 0.741048 Rb\n0.500000 0.731773 0.241048 Rb\n0.500000 0.268227 0.758952 Rb\n0.745082 0.000000 0.500000 Rb\n0.754918 0.500000 0.000000 Rb\n0.254918 0.000000 0.500000 Rb\n0.245082 0.500000 0.000000 Rb\n0.752642 0.481978 0.353481 Na\n0.752642 0.518023 0.646519 Na\n0.747358 0.981977 0.146519 Na\n0.747358 0.018022 0.853481 Na\n0.247358 0.518023 0.646519 Na\n0.247358 0.481978 0.353481 Na\n0.252642 0.018022 0.853481 Na\n0.252642 0.981977 0.146519 Na\n0.000000 0.234279 0.919005 Na\n0.000000 0.765721 0.080995 Na\n0.500000 0.734279 0.580995 Na\n0.500000 0.265721 0.419005 Na\n0.500000 0.775652 0.872087 In\n0.500000 0.224348 0.127913 In\n0.000000 0.275652 0.627913 In\n0.000000 0.724348 0.372087 In\n0.500000 0.582181 0.774478 O\n0.500000 0.417819 0.225522 O\n0.000000 0.082181 0.725522 O\n0.000000 0.917819 0.274478 O\n0.765718 0.306748 0.518303 O\n0.765718 0.693252 0.481697 O\n0.734282 0.806748 0.981697 O\n0.734282 0.193252 0.018303 O\n0.234282 0.693252 0.481697 O\n0.234282 0.306748 0.518303 O\n0.265718 0.193252 0.018303 O\n0.265718 0.806748 0.981697 O\n0.000000 0.435596 0.774756 O\n0.000000 0.564404 0.225244 O\n0.500000 0.935596 0.725244 O\n0.500000 0.064404 0.274756 O\n",
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"formula_full": "Rb8 Na12 In4 O16",
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{
"id": "mp-1113675",
"created_at": "2022-09-04T14:41:29.946508Z",
"structure_string": "Rb2 Na1 Ir1 F6\n1.0\n0.000000 4.347748 4.347748\n4.347748 0.000000 4.347748\n4.347748 4.347748 0.000000\nRb Na Ir F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ir\n0.234992 0.234992 0.765008 F\n0.234992 0.765008 0.765008 F\n0.765008 0.765008 0.234992 F\n0.234992 0.765008 0.234992 F\n0.765008 0.234992 0.765008 F\n0.765008 0.234992 0.234992 F\n",
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"formula_full": "Rb2 Na1 Ir1 F6",
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{
"id": "mp-555091",
"created_at": "2022-09-04T14:44:20.099368Z",
"structure_string": "Rb8 Na8 Ir4 O16\n1.0\n11.256119 0.000000 0.000000\n0.000000 6.311476 0.000000\n0.000000 4.171617 8.980575\nRb Na Ir O\n8 8 4 16\ndirect\n0.866766 0.342196 0.777981 Rb\n0.135389 0.325049 0.003578 Rb\n0.635389 0.674951 0.496422 Rb\n0.364611 0.325049 0.503578 Rb\n0.366766 0.657804 0.722019 Rb\n0.133234 0.657804 0.222019 Rb\n0.633234 0.342196 0.277981 Rb\n0.864611 0.674951 0.996422 Rb\n0.611485 0.937035 0.094425 Na\n0.608878 0.435718 0.909824 Na\n0.891122 0.435718 0.409824 Na\n0.888515 0.937035 0.594425 Na\n0.108878 0.564282 0.590176 Na\n0.111485 0.062965 0.405575 Na\n0.391122 0.564282 0.090176 Na\n0.388515 0.062965 0.905575 Na\n0.867434 0.009718 0.236566 Ir\n0.632566 0.009718 0.736566 Ir\n0.367434 0.990282 0.263434 Ir\n0.132566 0.990282 0.763434 Ir\n0.957830 0.795279 0.408268 O\n0.455267 0.728979 0.259786 O\n0.277801 0.254256 0.260516 O\n0.729347 0.215011 0.571690 O\n0.270653 0.784989 0.428310 O\n0.542170 0.795279 0.908268 O\n0.777801 0.745744 0.239484 O\n0.770653 0.215011 0.071690 O\n0.955267 0.271021 0.240214 O\n0.229347 0.784989 0.928310 O\n0.042170 0.204721 0.591732 O\n0.222199 0.254256 0.760516 O\n0.544733 0.271021 0.740214 O\n0.044733 0.728979 0.759786 O\n0.722199 0.745744 0.739484 O\n0.457830 0.204721 0.091732 O\n",
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"elements": [
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"formula_full": "Rb8 Na8 Ir4 O16",
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{
"id": "mp-1114018",
"created_at": "2022-09-04T14:48:14.124429Z",
"structure_string": "Rb2 Na1 La1 Cl6\n1.0\n0.000000 5.534199 5.534199\n5.534199 0.000000 5.534199\n5.534199 5.534199 0.000000\nRb Na La Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 La\n0.749871 0.250129 0.250129 Cl\n0.250129 0.250129 0.749871 Cl\n0.250129 0.749871 0.749871 Cl\n0.250129 0.749871 0.250129 Cl\n0.749871 0.250129 0.749871 Cl\n0.749871 0.749871 0.250129 Cl\n",
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"formula_full": "Rb2 Na1 La1 Cl6",
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{
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"structure_string": "Rb2 Na1 Lu1 Cl6\n1.0\n0.000000 5.344040 5.344040\n5.344040 0.000000 5.344040\n5.344040 5.344040 0.000000\nRb Na Lu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Lu\n0.758725 0.241275 0.241275 Cl\n0.241275 0.241275 0.758725 Cl\n0.241275 0.758725 0.758725 Cl\n0.241275 0.758725 0.241275 Cl\n0.758725 0.241275 0.758725 Cl\n0.758725 0.758725 0.241275 Cl\n",
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{
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"structure_string": "Rb1 Na1 Mg6 O7\n1.0\n4.244215 0.000000 0.000000\n0.000000 4.244215 0.000000\n0.000000 0.000000 11.407098\nRb Na Mg O\n1 1 6 7\ndirect\n0.000000 0.000000 0.541946 Rb\n0.000000 0.000000 0.017263 Na\n0.500000 0.500000 0.008124 Mg\n0.500000 0.500000 0.403841 Mg\n0.000000 0.500000 0.214000 Mg\n0.000000 0.500000 0.835711 Mg\n0.500000 0.000000 0.214000 Mg\n0.500000 0.000000 0.835711 Mg\n0.000000 0.000000 0.211154 O\n0.000000 0.000000 0.803542 O\n0.500000 0.500000 0.828470 O\n0.000000 0.500000 0.026725 O\n0.000000 0.500000 0.391393 O\n0.500000 0.000000 0.026725 O\n0.500000 0.000000 0.391393 O\n",
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{
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"structure_string": "Rb1 Na1 Mg30 O31\n1.0\n8.480977 0.000000 0.000000\n0.000000 8.675008 0.000000\n0.000000 0.000000 8.689834\nRb Na Mg O\n1 1 30 31\ndirect\n0.100887 0.000000 0.500000 Rb\n0.992777 0.000000 0.000000 Na\n0.994132 0.500000 0.000000 Mg\n0.990083 0.500000 0.500000 Mg\n0.501141 0.000000 0.000000 Mg\n0.520169 0.000000 0.500000 Mg\n0.500585 0.500000 0.000000 Mg\n0.504588 0.500000 0.500000 Mg\n0.996529 0.250051 0.246157 Mg\n0.996529 0.250051 0.753843 Mg\n0.996529 0.749949 0.246157 Mg\n0.996529 0.749949 0.753843 Mg\n0.498311 0.247408 0.251707 Mg\n0.498311 0.247408 0.748293 Mg\n0.498311 0.752592 0.251707 Mg\n0.498311 0.752592 0.748293 Mg\n0.244570 0.000000 0.217936 Mg\n0.244570 0.000000 0.782064 Mg\n0.247151 0.500000 0.245028 Mg\n0.247151 0.500000 0.754972 Mg\n0.759169 0.000000 0.251629 Mg\n0.759169 0.000000 0.748371 Mg\n0.747772 0.500000 0.249136 Mg\n0.747772 0.500000 0.750864 Mg\n0.246515 0.254489 0.000000 Mg\n0.248735 0.280521 0.500000 Mg\n0.246515 0.745511 0.000000 Mg\n0.248735 0.719479 0.500000 Mg\n0.748850 0.247274 0.000000 Mg\n0.758344 0.244176 0.500000 Mg\n0.748850 0.752726 0.000000 Mg\n0.758344 0.755824 0.500000 Mg\n0.265330 0.000000 0.000000 O\n0.252575 0.500000 0.000000 O\n0.256873 0.500000 0.500000 O\n0.731855 0.000000 0.000000 O\n0.749333 0.000000 0.500000 O\n0.743980 0.500000 0.000000 O\n0.743528 0.500000 0.500000 O\n0.247310 0.245409 0.255783 O\n0.247310 0.245409 0.744217 O\n0.247310 0.754591 0.255783 O\n0.247310 0.754591 0.744217 O\n0.746934 0.249023 0.251223 O\n0.746934 0.249023 0.748777 O\n0.746934 0.750977 0.251223 O\n0.746934 0.750977 0.748777 O\n0.000421 0.000000 0.242219 O\n0.000421 0.000000 0.757781 O\n0.999208 0.500000 0.248779 O\n0.999208 0.500000 0.751221 O\n0.487679 0.000000 0.261151 O\n0.487679 0.000000 0.738849 O\n0.496195 0.500000 0.251926 O\n0.496195 0.500000 0.748074 O\n0.000074 0.265909 0.000000 O\n0.001864 0.271748 0.500000 O\n0.000074 0.734091 0.000000 O\n0.001864 0.728252 0.500000 O\n0.495555 0.251451 0.000000 O\n0.490810 0.243406 0.500000 O\n0.495555 0.748549 0.000000 O\n0.490810 0.756594 0.500000 O\n",
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"formula_full": "Rb1 Na1 Mg30 O31",
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"energy": -384.86804888,
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{
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{
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{
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}