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{
"id": "mp-1095455",
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{
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"structure_string": "Sn2 O4\n1.0\n-2.028611 2.028611 5.178019\n2.028611 -2.028611 5.178019\n2.028611 2.028611 -5.178019\nSn O\n2 4\ndirect\n0.750000 0.250000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.202856 0.202856 0.000000 O\n0.547144 0.047144 0.500000 O\n0.797144 0.797144 0.000000 O\n0.952856 0.452856 0.500000 O\n",
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{
"id": "mp-1187402",
"created_at": "2022-09-04T14:40:57.391171Z",
"structure_string": "Th1 Al1 Cu2\n1.0\n0.000000 3.325516 3.325516\n3.325516 0.000000 3.325516\n3.325516 3.325516 0.000000\nTh Al Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
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"density": 8.716754699134537,
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"volume": 73.55413977708197,
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"formula_full": "Th1 Al1 Cu2",
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{
"id": "mp-1174500",
"created_at": "2022-09-04T14:40:57.215500Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n1.457668 14.563570 0.000000\n-1.457668 14.563570 0.000000\n0.000000 0.818782 5.085122\nLi Mn Co O\n7 2 3 12\ndirect\n0.921392 0.921392 0.909644 Li\n0.749665 0.749665 0.759590 Li\n0.579607 0.579607 0.577882 Li\n0.250335 0.250335 0.240410 Li\n0.078608 0.078608 0.090356 Li\n0.420393 0.420393 0.422118 Li\n0.000000 0.000000 0.500000 Li\n0.166134 0.166134 0.666129 Mn\n0.833866 0.833866 0.333871 Mn\n0.665675 0.665675 0.167130 Co\n0.500000 0.500000 0.000000 Co\n0.334325 0.334325 0.832870 Co\n0.795319 0.795319 0.054994 O\n0.629053 0.629053 0.843115 O\n0.462741 0.462741 0.746028 O\n0.128053 0.128053 0.389234 O\n0.963834 0.963834 0.182138 O\n0.295790 0.295790 0.512936 O\n0.036166 0.036166 0.817862 O\n0.871947 0.871947 0.610766 O\n0.704210 0.704210 0.487064 O\n0.370947 0.370947 0.156885 O\n0.204681 0.204681 0.945006 O\n0.537259 0.537259 0.253972 O\n",
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{
"id": "mp-1227527",
"created_at": "2022-09-04T14:40:57.221946Z",
"structure_string": "Bi8 O14\n1.0\n7.895607 0.000000 0.000000\n0.000000 7.895607 0.000000\n0.000000 0.000000 5.560838\nBi O\n8 14\ndirect\n0.998932 0.760998 0.239001 Bi\n0.760998 0.001068 0.760999 Bi\n0.001068 0.239002 0.239001 Bi\n0.239002 0.998932 0.760999 Bi\n0.260998 0.498932 0.760999 Bi\n0.739002 0.501068 0.760999 Bi\n0.501068 0.260998 0.239001 Bi\n0.498932 0.739002 0.239001 Bi\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.243581 0.743581 0.500000 O\n0.743581 0.756419 0.500000 O\n0.756419 0.256419 0.500000 O\n0.256419 0.243581 0.500000 O\n0.248480 0.748480 0.000000 O\n0.748480 0.751520 0.000000 O\n0.751520 0.251520 0.000000 O\n0.251520 0.248480 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"elements": [
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"chemical_system": "Bi-O",
"density": 9.081096658999247,
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"volume": 346.6660324664714,
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"formula_full": "Bi8 O14",
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"spacegroup": 117
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{
"id": "mp-7754",
"created_at": "2022-09-04T14:40:57.230307Z",
"structure_string": "Si2 Ru1\n1.0\n2.879987 0.000000 0.000000\n0.000000 2.879987 0.000000\n0.000000 0.000000 5.279421\nSi Ru\n2 1\ndirect\n0.500000 0.500000 0.720513 Si\n0.500000 0.500000 0.279487 Si\n0.000000 0.000000 0.000000 Ru\n",
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"density": 5.962762948946892,
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"volume": 43.789234220247735,
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"formula_full": "Si2 Ru1",
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{
"id": "mp-1215072",
"created_at": "2022-09-04T14:40:57.237326Z",
"structure_string": "Al8 H4 Pb4 C8 O40\n1.0\n5.922459 0.000000 0.000000\n0.000000 8.846734 0.000000\n0.000000 0.000000 16.463944\nAl H Pb C O\n8 4 4 8 40\ndirect\n0.495932 0.159563 0.299041 Al\n0.504068 0.840437 0.700959 Al\n0.504068 0.659563 0.200959 Al\n0.995932 0.840437 0.700959 Al\n0.495932 0.340437 0.799041 Al\n0.004068 0.159563 0.299041 Al\n0.004068 0.340437 0.799041 Al\n0.995932 0.659563 0.200959 Al\n0.250000 0.390647 0.041232 H\n0.750000 0.609353 0.958768 H\n0.750000 0.890647 0.458768 H\n0.250000 0.109353 0.541232 H\n0.250000 0.482100 0.403990 Pb\n0.750000 0.517900 0.596010 Pb\n0.750000 0.982100 0.096010 Pb\n0.250000 0.017900 0.903990 Pb\n0.250000 0.738588 0.049670 C\n0.750000 0.261412 0.950330 C\n0.750000 0.238588 0.450330 C\n0.250000 0.761412 0.549670 C\n0.250000 0.081117 0.147975 C\n0.750000 0.918883 0.852025 C\n0.750000 0.581117 0.352025 C\n0.250000 0.418883 0.647975 C\n0.250000 0.741036 0.473018 O\n0.750000 0.258964 0.526982 O\n0.750000 0.241036 0.026982 O\n0.250000 0.758964 0.973018 O\n0.057139 0.099485 0.186434 O\n0.942861 0.900515 0.813566 O\n0.942861 0.599485 0.313566 O\n0.557139 0.900515 0.813566 O\n0.057139 0.400515 0.686434 O\n0.442861 0.099485 0.186434 O\n0.442861 0.400515 0.686434 O\n0.557139 0.599485 0.313566 O\n0.558454 0.229039 0.412038 O\n0.441546 0.770961 0.587962 O\n0.441546 0.729039 0.087962 O\n0.058454 0.770961 0.587962 O\n0.558454 0.270961 0.912038 O\n0.941546 0.229039 0.412038 O\n0.941546 0.270961 0.912038 O\n0.058454 0.729039 0.087962 O\n0.250000 0.771144 0.232585 O\n0.750000 0.228856 0.767415 O\n0.750000 0.271144 0.267415 O\n0.250000 0.728856 0.732585 O\n0.250000 0.537372 0.197284 O\n0.750000 0.462628 0.802716 O\n0.750000 0.037372 0.302716 O\n0.250000 0.962628 0.697284 O\n0.250000 0.050777 0.334710 O\n0.750000 0.949223 0.665290 O\n0.750000 0.550777 0.165290 O\n0.250000 0.449223 0.834710 O\n0.250000 0.293245 0.298563 O\n0.750000 0.706755 0.701437 O\n0.750000 0.793245 0.201437 O\n0.250000 0.206755 0.798563 O\n0.250000 0.042524 0.073704 O\n0.750000 0.957476 0.926296 O\n0.750000 0.542524 0.426296 O\n0.250000 0.457476 0.573704 O\n",
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"formula_full": "Al8 H4 Pb4 C8 O40",
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{
"id": "mp-754093",
"created_at": "2022-09-04T14:40:57.243282Z",
"structure_string": "Gd4 Cd2 O8\n1.0\n0.000000 4.871241 4.871241\n4.871241 0.000000 4.871241\n4.871241 4.871241 0.000000\nGd Cd O\n4 2 8\ndirect\n0.625000 0.625000 0.125000 Gd\n0.625000 0.625000 0.625000 Gd\n0.625000 0.125000 0.625000 Gd\n0.125000 0.625000 0.625000 Gd\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Cd\n0.839949 0.386684 0.386684 O\n0.386684 0.839949 0.386684 O\n0.863316 0.863316 0.410051 O\n0.863316 0.410051 0.863316 O\n0.410051 0.863316 0.863316 O\n0.863316 0.863316 0.863316 O\n0.386684 0.386684 0.386684 O\n0.386684 0.386684 0.839949 O\n",
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"volume": 231.17924704238936,
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"formula_full": "Gd4 Cd2 O8",
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{
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"structure_string": "Na4 Cr8 S16\n1.0\n3.530803 0.000000 0.000000\n0.000000 10.962287 0.000000\n0.000000 0.000000 12.764312\nNa Cr S\n4 8 16\ndirect\n0.250000 0.239286 0.334571 Na\n0.750000 0.760714 0.665429 Na\n0.750000 0.260714 0.834571 Na\n0.250000 0.739286 0.165429 Na\n0.250000 0.058866 0.113055 Cr\n0.750000 0.941134 0.886945 Cr\n0.750000 0.441134 0.613055 Cr\n0.250000 0.558866 0.386945 Cr\n0.250000 0.083128 0.602453 Cr\n0.750000 0.916872 0.397547 Cr\n0.750000 0.416872 0.102453 Cr\n0.250000 0.583128 0.897547 Cr\n0.750000 0.027883 0.714896 S\n0.250000 0.972117 0.285104 S\n0.250000 0.472117 0.214896 S\n0.750000 0.527883 0.785104 S\n0.250000 0.080989 0.929284 S\n0.750000 0.919011 0.070716 S\n0.750000 0.419011 0.429284 S\n0.250000 0.580989 0.570716 S\n0.750000 0.115107 0.479904 S\n0.250000 0.884893 0.520096 S\n0.250000 0.384893 0.979904 S\n0.750000 0.615107 0.020096 S\n0.750000 0.201395 0.147180 S\n0.250000 0.798605 0.852820 S\n0.250000 0.298605 0.647180 S\n0.750000 0.701395 0.352820 S\n",
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{
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"structure_string": "Na4 Cu2 H4 S4 O16\n1.0\n12.418270 0.000000 0.000000\n0.000000 5.303447 0.000000\n0.000000 2.345919 5.439226\nNa Cu H S O\n4 2 4 4 16\ndirect\n0.868902 0.756760 0.574019 Na\n0.131098 0.243240 0.425981 Na\n0.368902 0.743240 0.425981 Na\n0.631098 0.256760 0.574019 Na\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.389344 0.470652 0.129126 H\n0.610656 0.529348 0.870874 H\n0.889344 0.029348 0.870874 H\n0.110656 0.970652 0.129126 H\n0.618735 0.935155 0.225734 S\n0.381265 0.064845 0.774266 S\n0.118735 0.564845 0.774266 S\n0.881265 0.435155 0.225734 S\n0.827648 0.526817 0.988393 O\n0.172352 0.473183 0.011607 O\n0.327648 0.973183 0.011607 O\n0.672352 0.026817 0.988393 O\n0.957262 0.662162 0.243035 O\n0.042738 0.337838 0.756965 O\n0.457262 0.837838 0.756965 O\n0.542738 0.162162 0.243035 O\n0.547770 0.691123 0.270709 O\n0.452230 0.308877 0.729291 O\n0.047770 0.808877 0.729291 O\n0.952230 0.191123 0.270709 O\n0.691385 0.872140 0.438078 O\n0.308615 0.127860 0.561922 O\n0.191385 0.627860 0.561922 O\n0.808615 0.372140 0.438078 O\n",
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"formula_full": "Si2 Tc1 Os1",
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{
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}