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{
"id": "mp-1031870",
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{
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{
"id": "mp-1247876",
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"structure_string": "Ag4 Sb4 Te8\n1.0\n6.136512 0.000000 0.000000\n0.000000 6.136512 0.000000\n0.000000 0.000000 12.108707\nAg Sb Te\n4 4 8\ndirect\n0.500000 0.500000 -0.000000 Ag\n0.500000 0.000000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.250000 Ag\n0.500000 0.500000 0.250000 Sb\n0.500000 0.500000 0.750000 Sb\n0.500000 -0.000000 0.250000 Sb\n0.000000 0.500000 0.750000 Sb\n0.000000 0.000000 -0.000000 Te\n0.500000 0.000000 0.997703 Te\n0.500000 0.000000 0.502297 Te\n0.000000 0.000000 0.250000 Te\n-0.000000 0.000000 0.500000 Te\n-0.000000 0.500000 0.002297 Te\n-0.000000 0.500000 0.497703 Te\n0.000000 0.000000 0.750000 Te\n",
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{
"id": "mp-1202302",
"created_at": "2022-09-04T14:39:23.051019Z",
"structure_string": "Ba2 H12 C8 O20\n1.0\n2.740509 7.289910 0.000000\n-2.740509 7.289910 0.000000\n0.000000 5.449290 11.317479\nBa H C O\n2 12 8 20\ndirect\n0.826582 0.173418 0.250000 Ba\n0.173418 0.826582 0.750000 Ba\n0.202944 0.014741 0.956794 H\n0.985259 0.797056 0.543206 H\n0.797056 0.985259 0.043206 H\n0.014741 0.202944 0.456794 H\n0.445068 0.923206 0.188175 H\n0.076794 0.554932 0.311825 H\n0.554932 0.076794 0.811825 H\n0.923206 0.445068 0.688175 H\n0.302365 0.140782 0.257168 H\n0.859218 0.697635 0.242832 H\n0.697635 0.859218 0.742832 H\n0.140782 0.302365 0.757168 H\n0.923700 0.606361 0.037761 C\n0.393639 0.076300 0.462239 C\n0.076300 0.393639 0.962239 C\n0.606361 0.923700 0.537761 C\n0.417206 0.632283 0.017984 C\n0.367717 0.582794 0.482016 C\n0.582794 0.367717 0.982016 C\n0.632283 0.417206 0.517984 C\n0.379755 0.646629 0.120435 O\n0.353371 0.620245 0.379565 O\n0.620245 0.353371 0.879565 O\n0.646629 0.379755 0.620435 O\n0.776251 0.617543 0.133468 O\n0.382457 0.223749 0.366532 O\n0.223749 0.382457 0.866532 O\n0.617543 0.776251 0.633468 O\n0.035925 0.244536 0.004806 O\n0.755464 0.964075 0.495194 O\n0.964075 0.755464 0.995194 O\n0.244536 0.035925 0.504806 O\n0.269611 0.090974 0.213303 O\n0.909026 0.730389 0.286697 O\n0.730389 0.909026 0.786697 O\n0.090974 0.269611 0.713303 O\n0.326343 0.829587 0.928385 O\n0.170413 0.673657 0.571615 O\n0.673657 0.170413 0.071615 O\n0.829587 0.326343 0.428385 O\n",
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{
"id": "mp-646125",
"created_at": "2022-09-04T14:39:23.051771Z",
"structure_string": "Y10 Mg16 Cu10\n1.0\n4.005862 0.000000 0.000000\n0.000000 7.417745 0.000000\n0.000000 0.000000 26.390546\nY Mg Cu\n10 16 10\ndirect\n0.500000 0.427030 0.149979 Y\n0.500000 0.572970 0.850021 Y\n0.500000 0.801385 0.250000 Y\n0.500000 0.924130 0.394363 Y\n0.500000 0.075870 0.894363 Y\n0.500000 0.198615 0.750000 Y\n0.500000 0.075870 0.605637 Y\n0.500000 0.924130 0.105637 Y\n0.500000 0.572970 0.649979 Y\n0.500000 0.427030 0.350021 Y\n0.000000 0.905562 0.810028 Mg\n0.500000 0.299761 0.023557 Mg\n0.000000 0.597240 0.438713 Mg\n0.000000 0.460904 0.250000 Mg\n0.000000 0.094438 0.310028 Mg\n0.500000 0.700239 0.976443 Mg\n0.000000 0.402760 0.938713 Mg\n0.000000 0.597240 0.061287 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.299761 0.476443 Mg\n0.000000 0.402760 0.561287 Mg\n0.500000 0.700239 0.523557 Mg\n0.000000 0.094438 0.189972 Mg\n0.000000 0.539096 0.750000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.905562 0.689972 Mg\n0.500000 0.217642 0.250000 Cu\n0.000000 0.216310 0.088831 Cu\n0.000000 0.216310 0.411169 Cu\n0.000000 0.283176 0.832861 Cu\n0.000000 0.783690 0.911169 Cu\n0.500000 0.782358 0.750000 Cu\n0.000000 0.716824 0.167139 Cu\n0.000000 0.783690 0.588831 Cu\n0.000000 0.716824 0.332861 Cu\n0.000000 0.283176 0.667139 Cu\n",
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{
"id": "mp-1384639",
"created_at": "2022-09-04T14:39:23.058718Z",
"structure_string": "Ca2 Ti1 W1 O6\n1.0\n2.776114 4.865390 0.000000\n-2.776114 4.865390 0.000000\n0.000000 3.319304 4.693452\nCa Ti W O\n2 1 1 6\ndirect\n0.747176 0.747176 0.783936 Ca\n0.246530 0.246530 0.279992 Ca\n0.498006 0.498006 0.484865 Ti\n0.998067 0.998067 0.982412 W\n0.742550 0.742550 0.231441 O\n0.252498 0.252498 0.699612 O\n0.742705 0.260059 0.226310 O\n0.260059 0.742705 0.226310 O\n0.746952 0.241071 0.716633 O\n0.241071 0.746952 0.716633 O\n",
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"formula_full": "Ca2 Ti1 W1 O6",
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{
"id": "mp-1192556",
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"structure_string": "Rb2 In2 Te6 O16\n1.0\n-5.873327 0.000000 0.000000\n2.589249 7.308009 0.000000\n-0.115807 -2.172044 -11.131783\nRb In Te O\n2 2 6 16\ndirect\n0.839078 0.119303 0.166885 Rb\n0.160922 0.880697 0.833115 Rb\n0.500000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.222163 0.992099 0.418827 Te\n0.777837 0.007901 0.581173 Te\n0.069831 0.677225 0.149552 Te\n0.930169 0.322775 0.850448 Te\n0.516523 0.526029 0.335293 Te\n0.483477 0.473971 0.664707 Te\n0.186130 0.738908 0.416684 O\n0.813870 0.261092 0.583316 O\n0.239976 0.932625 0.230095 O\n0.760024 0.067375 0.769905 O\n0.887621 0.969227 0.396147 O\n0.112379 0.030773 0.603853 O\n0.270398 0.679033 0.017102 O\n0.729602 0.320967 0.982898 O\n0.822661 0.735868 0.077003 O\n0.177339 0.264132 0.922997 O\n0.390104 0.426262 0.174174 O\n0.609896 0.573738 0.825826 O\n0.248722 0.370012 0.407342 O\n0.751278 0.629988 0.592658 O\n0.730177 0.390559 0.345209 O\n0.269823 0.609441 0.654791 O\n",
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{
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"structure_string": "Cs4 Pb4 Br12\n1.0\n4.664190 0.000000 0.000000\n0.000000 10.041090 0.000000\n0.000000 0.000000 17.198155\nCs Pb Br\n4 4 12\ndirect\n0.250000 0.911730 0.671347 Cs\n0.250000 0.411730 0.828653 Cs\n0.750000 0.588270 0.171347 Cs\n0.750000 0.088270 0.328653 Cs\n0.750000 0.837208 0.937368 Pb\n0.250000 0.162792 0.062632 Pb\n0.250000 0.662792 0.437368 Pb\n0.750000 0.337208 0.562632 Pb\n0.250000 0.525787 0.611647 Br\n0.750000 0.199530 0.709983 Br\n0.250000 0.667331 0.999523 Br\n0.250000 0.167331 0.500477 Br\n0.750000 0.832669 0.499523 Br\n0.750000 0.974213 0.111647 Br\n0.250000 0.300470 0.209983 Br\n0.750000 0.699530 0.790017 Br\n0.250000 0.025787 0.888353 Br\n0.750000 0.474213 0.388353 Br\n0.750000 0.332669 0.000477 Br\n0.250000 0.800470 0.290017 Br\n",
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{
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{
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