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{
"id": "mp-3788",
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{
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{
"id": "mp-1182869",
"created_at": "2022-09-04T14:39:29.186066Z",
"structure_string": "Al4 O8\n1.0\n2.918905 0.000000 0.000000\n0.000000 4.800739 0.000000\n0.000000 0.000000 9.335692\nAl O\n4 8\ndirect\n0.250000 0.555520 0.662092 Al\n0.250000 0.944480 0.162092 Al\n0.750000 0.444480 0.337908 Al\n0.750000 0.055520 0.837908 Al\n0.750000 0.347545 0.534746 O\n0.750000 0.152455 0.034746 O\n0.250000 0.652455 0.465254 O\n0.250000 0.847545 0.965254 O\n0.750000 0.752546 0.225639 O\n0.750000 0.747454 0.725639 O\n0.250000 0.247454 0.774361 O\n0.250000 0.252546 0.274361 O\n",
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"volume": 130.8201284234123,
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"formula_full": "Al4 O8",
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{
"id": "mp-1216122",
"created_at": "2022-09-04T14:39:29.235281Z",
"structure_string": "Y4 Zr3 O12\n1.0\n6.447581 0.000000 0.000000\n-1.082096 6.357203 0.000000\n-1.042823 -1.176379 6.263398\nY Zr O\n4 3 12\ndirect\n0.303370 0.609641 0.139403 Y\n0.860732 0.688967 0.393404 Y\n0.393125 0.861399 0.692727 Y\n0.693962 0.390135 0.862514 Y\n0.003970 0.002858 0.000333 Zr\n0.141673 0.308897 0.610480 Zr\n0.614820 0.138391 0.304168 Zr\n0.945767 0.093405 0.319058 O\n0.321388 0.962706 0.092785 O\n0.074254 0.315267 0.924269 O\n0.056950 0.929798 0.685861 O\n0.682574 0.055019 0.940035 O\n0.926873 0.688239 0.056328 O\n0.407408 0.559461 0.817731 O\n0.822862 0.392856 0.562692 O\n0.575018 0.836555 0.414009 O\n0.580069 0.418335 0.187648 O\n0.178436 0.564906 0.436994 O\n0.416751 0.183165 0.559561 O\n",
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{
"id": "mp-549058",
"created_at": "2022-09-04T14:39:29.291829Z",
"structure_string": "Ba4 Fe4 Se4 O2 F4\n1.0\n4.180273 0.000324 -0.850110\n-0.173291 4.176519 -0.850285\n3.892541 4.058544 19.137466\nBa Fe Se O F\n4 4 4 2 4\ndirect\n0.999987 0.999987 0.329744 Ba\n0.499987 0.499987 0.829744 Ba\n0.500013 0.500013 0.170256 Ba\n0.000013 0.000013 0.670256 Ba\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.499776 0.499780 0.409556 Se\n0.999776 0.999780 0.909556 Se\n0.000224 0.000221 0.090444 Se\n0.500224 0.500221 0.590444 Se\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.999995 0.500002 0.250006 F\n0.499995 0.000002 0.750006 F\n0.500005 0.999998 0.249994 F\n0.000005 0.499998 0.749994 F\n",
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"elements": [
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"density": 5.473996335153289,
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"formula_full": "Ba4 Fe4 Se4 O2 F4",
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"spacegroup": 139
},
{
"id": "mp-1184939",
"created_at": "2022-09-04T14:39:29.294789Z",
"structure_string": "K1 Li1 O3\n1.0\n4.048757 0.000000 0.000000\n0.000000 4.048757 0.000000\n0.000000 0.000000 4.048757\nK Li O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "mp-849781",
"created_at": "2022-09-04T14:39:29.326146Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n5.368105 0.000000 0.000000\n0.000000 7.887216 0.000000\n0.000000 2.200158 8.207366\nLi Co Si O\n4 4 4 16\ndirect\n0.344912 0.131408 0.203290 Li\n0.832571 0.634444 0.392319 Li\n0.655088 0.131408 0.703290 Li\n0.167429 0.634444 0.892319 Li\n0.855184 0.031687 0.067883 Co\n0.329788 0.509524 0.273400 Co\n0.144816 0.031687 0.567883 Co\n0.670212 0.509524 0.773400 Co\n0.665516 0.746330 0.018853 Si\n0.829861 0.262345 0.320744 Si\n0.334484 0.746330 0.518853 Si\n0.170139 0.262345 0.820744 Si\n0.167623 0.117136 0.002004 O\n0.382763 0.666370 0.070968 O\n0.706987 0.171426 0.184570 O\n0.125080 0.315348 0.277339 O\n0.815300 0.785519 0.175764 O\n0.659081 0.430730 0.333422 O\n0.832377 0.117136 0.502004 O\n0.192569 0.609429 0.431092 O\n0.321378 0.949500 0.402154 O\n0.617237 0.666370 0.570968 O\n0.293013 0.171426 0.684570 O\n0.874920 0.315348 0.777339 O\n0.184700 0.785519 0.675764 O\n0.340919 0.430730 0.833422 O\n0.807431 0.609429 0.931092 O\n0.678622 0.949500 0.902154 O\n",
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{
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{
"id": "mp-1222390",
"created_at": "2022-09-04T14:39:29.153307Z",
"structure_string": "Na5 H7 Se4 O18\n1.0\n-0.123166 -0.069096 -6.198534\n1.606375 -6.954060 1.295288\n-10.172519 -0.385387 1.406935\nNa H Se O\n5 7 4 18\ndirect\n0.872146 0.287112 0.331796 Na\n0.111445 0.722843 0.666785 Na\n0.528881 0.988382 0.489238 Na\n0.409462 0.825176 0.128856 Na\n0.603948 0.153054 0.888411 Na\n0.353398 0.616140 0.452339 H\n0.647846 0.390414 0.562682 H\n0.007489 0.057897 0.125302 H\n0.989831 0.924546 0.892729 H\n0.523192 0.662370 0.586635 H\n0.474182 0.338419 0.430545 H\n0.208070 0.434133 0.891145 H\n0.271473 0.323575 0.139320 Se\n0.718353 0.660287 0.860379 Se\n0.087629 0.209136 0.689145 Se\n0.911712 0.792721 0.323575 Se\n0.257269 0.493741 0.051698 O\n0.704143 0.482082 0.938827 O\n0.268104 0.075248 0.731354 O\n0.736976 0.935654 0.277164 O\n0.440518 0.179573 0.096042 O\n0.557388 0.814036 0.900827 O\n0.999015 0.174706 0.087715 O\n0.996814 0.798340 0.915430 O\n0.278161 0.395728 0.300624 O\n0.721783 0.602782 0.697146 O\n0.839806 0.119992 0.723008 O\n0.160830 0.882287 0.284392 O\n0.093292 0.271991 0.543417 O\n0.919500 0.808326 0.487837 O\n0.394613 0.701044 0.539103 O\n0.603185 0.301348 0.477301 O\n0.183507 0.437754 0.792044 O\n0.816042 0.569160 0.246190 O\n",
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{
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"elements": [
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"chemical_system": "In-O",
"density": 6.024798107821213,
"density_atomic": 0.06534170190203395,
"volume": 1530.4162133690493,
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"formula_full": "In40 O60",
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"total_magnetization": 2.44e-05,
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"updated_at": "2021-11-28T01:34:26.260000Z",
"spacegroup": 1
},
{
"id": "mp-1203390",
"created_at": "2022-09-04T14:39:29.159321Z",
"structure_string": "Na4 Sm4 P8 H16 C4 O28\n1.0\n15.286344 0.000000 0.000000\n0.000000 6.746062 0.000000\n0.000000 0.130812 6.785863\nNa Sm P H C O\n4 4 8 16 4 28\ndirect\n0.027333 0.865102 0.196135 Na\n0.527333 0.634898 0.803865 Na\n0.972667 0.134898 0.803865 Na\n0.472667 0.365102 0.196135 Na\n0.900371 0.398645 0.326069 Sm\n0.400371 0.101355 0.673931 Sm\n0.099629 0.601355 0.673931 Sm\n0.599629 0.898645 0.326069 Sm\n0.095215 0.367480 0.179292 P\n0.595215 0.132520 0.820708 P\n0.904785 0.632520 0.820708 P\n0.404785 0.867480 0.179292 P\n0.840001 0.893943 0.468748 P\n0.340001 0.606057 0.531252 P\n0.159999 0.106057 0.531252 P\n0.659999 0.393943 0.468748 P\n0.797928 0.890505 0.812490 H\n0.297928 0.609495 0.187510 H\n0.202072 0.109495 0.187510 H\n0.702072 0.390505 0.812490 H\n0.789372 0.071217 0.132838 H\n0.289372 0.428783 0.867162 H\n0.210628 0.928783 0.867162 H\n0.710628 0.571217 0.132838 H\n0.811343 0.256397 0.992388 H\n0.311343 0.243603 0.007612 H\n0.188657 0.743603 0.007612 H\n0.688657 0.756397 0.992388 H\n0.761308 0.676811 0.684468 H\n0.261308 0.823189 0.315532 H\n0.238692 0.323189 0.315532 H\n0.738692 0.176811 0.684468 H\n0.817248 0.776096 0.707554 C\n0.317248 0.723904 0.292446 C\n0.182752 0.223904 0.292446 C\n0.682752 0.276096 0.707554 C\n0.898726 0.752250 0.354555 O\n0.398726 0.747750 0.645445 O\n0.101274 0.247750 0.645445 O\n0.601274 0.252250 0.354555 O\n0.939283 0.476051 0.672542 O\n0.439283 0.023949 0.327458 O\n0.060717 0.523949 0.327458 O\n0.560717 0.976051 0.672542 O\n0.865786 0.531227 0.004424 O\n0.365786 0.968773 0.995576 O\n0.134214 0.468773 0.995576 O\n0.634214 0.031227 0.004424 O\n0.749931 0.427938 0.369248 O\n0.249931 0.072062 0.630752 O\n0.250069 0.572062 0.630752 O\n0.750069 0.927938 0.369248 O\n0.837435 0.146818 0.069595 O\n0.337435 0.353182 0.930405 O\n0.162565 0.853182 0.930405 O\n0.662565 0.646818 0.069595 O\n0.016901 0.228474 0.138348 O\n0.516901 0.271526 0.861652 O\n0.983099 0.771526 0.861652 O\n0.483099 0.728474 0.138348 O\n0.886551 0.093317 0.505830 O\n0.386551 0.406683 0.494170 O\n0.113449 0.906683 0.494170 O\n0.613449 0.593317 0.505830 O\n",
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{
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"structure_string": "Na2 Tl2\n1.0\n0.000000 3.838826 3.838826\n3.838826 0.000000 3.838826\n3.838826 3.838826 0.000000\nNa Tl\n2 2\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Na\n0.750000 0.750000 0.750000 Tl\n0.500000 0.500000 0.500000 Tl\n",
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]
}