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{
"id": "mp-1228386",
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{
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{
"id": "mp-1206987",
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"structure_string": "Th1 O1\n1.0\n0.000000 2.549162 2.549162\n2.549162 0.000000 2.549162\n2.549162 2.549162 0.000000\nTh O\n1 1\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 O\n",
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"formula_full": "Th1 O1",
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"spacegroup": 225
},
{
"id": "mp-861957",
"created_at": "2022-09-04T14:47:58.580926Z",
"structure_string": "K2 Na2 Sm2 Ta2 O10\n1.0\n5.749079 0.000000 0.000000\n0.000000 5.749079 0.000000\n0.000000 0.000000 8.320855\nK Na Sm Ta O\n2 2 2 2 10\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.240899 Na\n0.500000 0.000000 0.759101 Na\n0.000000 0.000000 0.500000 Sm\n0.500000 0.500000 0.500000 Sm\n0.500000 0.000000 0.259557 Ta\n0.000000 0.500000 0.740443 Ta\n0.500000 0.000000 0.035340 O\n0.268851 0.768851 0.331116 O\n0.731149 0.768851 0.331116 O\n0.268851 0.231149 0.331116 O\n0.731149 0.231149 0.331116 O\n0.768851 0.268851 0.668884 O\n0.231149 0.268851 0.668884 O\n0.768851 0.731149 0.668884 O\n0.231149 0.731149 0.668884 O\n0.000000 0.500000 0.964660 O\n",
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"formula_full": "K2 Na2 Sm2 Ta2 O10",
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{
"id": "mp-1098251",
"created_at": "2022-09-04T14:47:58.581207Z",
"structure_string": "Na1 Mg6 W1\n1.0\n6.219792 0.000000 0.000000\n0.000000 6.219792 0.000000\n0.000000 0.000000 4.392202\nNa Mg W\n1 6 1\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.728081 0.271919 0.000000 Mg\n0.271919 0.728081 0.000000 Mg\n0.728081 0.728081 0.000000 Mg\n0.271919 0.271919 0.000000 Mg\n0.500000 0.500000 0.500000 W\n",
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"spacegroup": 123
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{
"id": "mp-639748",
"created_at": "2022-09-04T14:47:58.588234Z",
"structure_string": "Si36 O72\n1.0\n8.717017 0.000000 0.000000\n0.000000 14.848445 0.000000\n0.000000 0.000000 19.150930\nSi O\n36 72\ndirect\n0.795659 0.631571 0.648671 Si\n0.704341 0.131571 0.351329 Si\n0.795659 0.368429 0.851329 Si\n0.704341 0.868429 0.148671 Si\n0.204341 0.368429 0.351329 Si\n0.295659 0.868429 0.648671 Si\n0.204341 0.631571 0.148671 Si\n0.295659 0.131571 0.851329 Si\n0.580431 0.492322 0.601092 Si\n0.919569 0.992322 0.398908 Si\n0.580431 0.507678 0.898908 Si\n0.919569 0.007678 0.101092 Si\n0.419569 0.507678 0.398908 Si\n0.080431 0.007678 0.601092 Si\n0.419569 0.492322 0.101092 Si\n0.080431 0.992322 0.898908 Si\n0.409475 0.219068 0.410032 Si\n0.090525 0.719068 0.589968 Si\n0.409475 0.780932 0.089968 Si\n0.090525 0.280932 0.910032 Si\n0.590525 0.780932 0.589968 Si\n0.909475 0.280932 0.410032 Si\n0.590525 0.219068 0.910032 Si\n0.909475 0.719068 0.089968 Si\n0.621101 0.370835 0.474557 Si\n0.878899 0.870835 0.525443 Si\n0.621101 0.629165 0.025443 Si\n0.878899 0.129165 0.974557 Si\n0.378899 0.629165 0.525443 Si\n0.121101 0.129165 0.474557 Si\n0.378899 0.370835 0.974557 Si\n0.121101 0.870835 0.025443 Si\n0.827982 0.000000 0.250000 Si\n0.672018 0.500000 0.750000 Si\n0.172018 0.000000 0.750000 Si\n0.327982 0.500000 0.250000 Si\n0.728149 0.559900 0.590965 O\n0.771851 0.059900 0.409035 O\n0.728149 0.440100 0.909035 O\n0.771851 0.940100 0.090965 O\n0.271851 0.440100 0.409035 O\n0.228149 0.940100 0.590965 O\n0.271851 0.559900 0.090965 O\n0.228149 0.059900 0.909035 O\n0.606997 0.400813 0.556329 O\n0.893003 0.900813 0.443671 O\n0.606997 0.599187 0.943671 O\n0.893003 0.099187 0.056329 O\n0.393003 0.599187 0.443671 O\n0.106997 0.099187 0.556329 O\n0.393003 0.400813 0.056329 O\n0.106997 0.900813 0.943671 O\n0.506420 0.286481 0.460390 O\n0.993580 0.786481 0.539610 O\n0.506420 0.713519 0.039610 O\n0.993580 0.213519 0.960390 O\n0.493580 0.713519 0.539610 O\n0.006420 0.213519 0.460390 O\n0.493580 0.286481 0.960390 O\n0.006420 0.786481 0.039610 O\n0.307540 0.276589 0.353919 O\n0.192460 0.776589 0.646081 O\n0.307540 0.723411 0.146081 O\n0.192460 0.223411 0.853919 O\n0.692460 0.723411 0.646081 O\n0.807540 0.223411 0.353919 O\n0.692460 0.276589 0.853919 O\n0.807540 0.776589 0.146081 O\n0.779773 0.584702 0.725651 O\n0.720227 0.084702 0.274349 O\n0.779773 0.415298 0.774349 O\n0.720227 0.915298 0.225651 O\n0.220227 0.415298 0.274349 O\n0.279773 0.915298 0.725651 O\n0.220227 0.584702 0.225651 O\n0.279773 0.084702 0.774349 O\n0.564449 0.468794 0.684296 O\n0.935551 0.968794 0.315704 O\n0.564449 0.531206 0.815704 O\n0.935551 0.031206 0.184296 O\n0.435551 0.531206 0.315704 O\n0.064449 0.031206 0.684296 O\n0.435551 0.468794 0.184296 O\n0.064449 0.968794 0.815704 O\n0.574592 0.456128 0.424764 O\n0.925408 0.956128 0.575236 O\n0.574592 0.543872 0.075236 O\n0.925408 0.043872 0.924764 O\n0.425408 0.543872 0.575236 O\n0.074592 0.043872 0.424764 O\n0.425408 0.456128 0.924764 O\n0.074592 0.956128 0.075236 O\n0.973856 0.653505 0.632615 O\n0.526144 0.153505 0.367385 O\n0.973856 0.346495 0.867385 O\n0.526144 0.846495 0.132615 O\n0.026144 0.346495 0.367385 O\n0.473856 0.846495 0.632615 O\n0.026144 0.653505 0.132615 O\n0.473856 0.153505 0.867385 O\n0.296978 0.157847 0.458175 O\n0.203022 0.657847 0.541825 O\n0.296978 0.842153 0.041825 O\n0.203022 0.342153 0.958175 O\n0.703022 0.842153 0.541825 O\n0.796978 0.342153 0.458175 O\n0.703022 0.157847 0.958175 O\n0.796978 0.657847 0.041825 O\n",
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{
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"structure_string": "Ca4 Co1 Si8 Ni3 O24\n1.0\n8.998982 0.000000 0.000000\n0.000000 5.308587 0.000000\n0.000000 2.587390 9.513194\nCa Co Si Ni O\n4 1 8 3 24\ndirect\n0.797120 0.500000 0.500000 Ca\n0.297192 0.000000 0.000000 Ca\n0.203228 0.000000 0.500000 Ca\n0.702909 0.500000 0.000000 Ca\n0.407440 0.500000 0.500000 Co\n0.092495 0.691882 0.286157 Si\n0.593402 0.191486 0.786722 Si\n0.092495 0.308118 0.713843 Si\n0.593402 0.808514 0.213278 Si\n0.906953 0.808299 0.713518 Si\n0.406918 0.307787 0.213001 Si\n0.906953 0.191701 0.286482 Si\n0.406918 0.692213 0.786999 Si\n0.908904 0.000000 0.000000 Ni\n0.591022 0.000000 0.500000 Ni\n0.091058 0.500000 0.000000 Ni\n0.088046 0.776798 0.115570 O\n0.588996 0.275734 0.615857 O\n0.088046 0.223202 0.884430 O\n0.588996 0.724266 0.384143 O\n0.912026 0.723189 0.884218 O\n0.411895 0.220177 0.383685 O\n0.912026 0.276811 0.115782 O\n0.411895 0.779823 0.616315 O\n0.018990 0.393199 0.349225 O\n0.519071 0.893295 0.849538 O\n0.018990 0.606801 0.650775 O\n0.519071 0.106705 0.150462 O\n0.981005 0.106805 0.650775 O\n0.481012 0.606669 0.151033 O\n0.981005 0.893195 0.349225 O\n0.481012 0.393331 0.848967 O\n0.248840 0.709692 0.362117 O\n0.749263 0.208956 0.862796 O\n0.248840 0.290308 0.637883 O\n0.749263 0.791044 0.137204 O\n0.750846 0.791066 0.637232 O\n0.250806 0.291249 0.137110 O\n0.750846 0.208934 0.362768 O\n0.250806 0.708751 0.862890 O\n",
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{
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{
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