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{
"id": "mp-1221569",
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"structure_string": "Mn1 Zn1 Ga4 Se8\n1.0\n5.532225 3.999097 0.000000\n-5.532225 3.999097 0.000000\n0.000000 0.000592 8.001345\nMn Zn Ga Se\n1 1 4 8\ndirect\n0.500044 0.499956 0.500000 Mn\n0.999879 0.000121 0.000000 Zn\n0.999949 0.500020 0.750445 Ga\n0.499980 0.000051 0.249555 Ga\n0.500025 0.499975 0.000000 Ga\n0.999964 0.000036 0.500000 Ga\n0.111092 0.378710 0.489032 Se\n0.614249 0.879557 0.988712 Se\n0.120443 0.385751 0.011288 Se\n0.621290 0.888908 0.510968 Se\n0.622499 0.355170 0.755341 Se\n0.121579 0.856037 0.253051 Se\n0.143963 0.878421 0.746949 Se\n0.644830 0.377501 0.244659 Se\n",
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{
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"structure_string": "Tb8 Mg4 Se16\n1.0\n4.033993 0.000000 0.000000\n0.000000 13.197143 0.000000\n0.000000 0.000000 14.252889\nTb Mg Se\n8 4 16\ndirect\n0.250000 0.116811 0.072612 Tb\n0.750000 0.883189 0.927388 Tb\n0.750000 0.383189 0.572612 Tb\n0.250000 0.616811 0.427388 Tb\n0.250000 0.140383 0.702679 Tb\n0.750000 0.859617 0.297321 Tb\n0.750000 0.359617 0.202679 Tb\n0.250000 0.640383 0.797321 Tb\n0.750000 0.109376 0.456298 Mg\n0.250000 0.890624 0.543702 Mg\n0.250000 0.390624 0.956298 Mg\n0.750000 0.609376 0.043702 Mg\n0.750000 0.006365 0.616898 Se\n0.250000 0.993635 0.383102 Se\n0.250000 0.493635 0.116898 Se\n0.750000 0.506365 0.883102 Se\n0.250000 0.028462 0.881792 Se\n0.750000 0.971538 0.118208 Se\n0.750000 0.471538 0.381792 Se\n0.250000 0.528462 0.618208 Se\n0.250000 0.222872 0.246064 Se\n0.750000 0.777128 0.753936 Se\n0.750000 0.277128 0.746064 Se\n0.250000 0.722872 0.253936 Se\n0.750000 0.262520 0.013833 Se\n0.250000 0.737480 0.986167 Se\n0.250000 0.237480 0.513833 Se\n0.750000 0.762520 0.486167 Se\n",
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},
{
"id": "mp-1210826",
"created_at": "2022-09-04T14:46:15.221890Z",
"structure_string": "Mn1 Ga1 Fe2\n1.0\n-1.840352 1.840352 3.478408\n1.840352 -1.840352 3.478408\n1.840352 1.840352 -3.478408\nMn Ga Fe\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Ga\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n",
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"formula_full": "Mn1 Ga1 Fe2",
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"spacegroup": 139
},
{
"id": "mp-1102834",
"created_at": "2022-09-04T14:46:15.354833Z",
"structure_string": "Cr4 Co4 P4\n1.0\n0.000000 -3.524468 0.000000\n-5.730112 0.000000 0.000000\n0.000000 0.000000 -6.681627\nCr Co P\n4 4 4\ndirect\n0.750000 0.527253 0.173456 Cr\n0.750000 0.027253 0.326544 Cr\n0.250000 0.472747 0.826544 Cr\n0.250000 0.972747 0.673456 Cr\n0.750000 0.643336 0.563552 Co\n0.750000 0.143336 0.936448 Co\n0.250000 0.356664 0.436448 Co\n0.250000 0.856664 0.063552 Co\n0.750000 0.261101 0.623187 P\n0.750000 0.761100 0.876813 P\n0.250000 0.738900 0.376813 P\n0.250000 0.238899 0.123187 P\n",
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"volume": 134.93944205648984,
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"formula_full": "Cr4 Co4 P4",
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{
"id": "mp-29920",
"created_at": "2022-09-04T14:46:15.061961Z",
"structure_string": "Rb10 Au6 O4\n1.0\n5.795390 0.000000 0.000000\n0.000000 7.528798 0.000000\n0.000000 0.000000 14.582155\nRb Au O\n10 6 4\ndirect\n0.500000 0.171263 0.896872 Rb\n0.500000 0.828737 0.103128 Rb\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.000000 0.114061 0.235440 Rb\n0.000000 0.885939 0.764560 Rb\n0.000000 0.614061 0.264560 Rb\n0.000000 0.385939 0.735440 Rb\n0.500000 0.328737 0.396872 Rb\n0.500000 0.671263 0.603128 Rb\n0.500000 0.147527 0.644430 Au\n0.500000 0.852473 0.355570 Au\n0.500000 0.647527 0.855570 Au\n0.500000 0.352473 0.144430 Au\n0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.000000 0.172988 0.891517 O\n0.000000 0.827012 0.108483 O\n0.000000 0.672988 0.608483 O\n0.000000 0.327012 0.391517 O\n",
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],
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"density": 5.4819692474522315,
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"formula_full": "Rb10 Au6 O4",
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{
"id": "mp-770464",
"created_at": "2022-09-04T14:46:15.064428Z",
"structure_string": "La4 Bi4 O16\n1.0\n7.360451 0.000000 0.000000\n0.000000 7.584850 0.000000\n0.000000 3.891783 6.835135\nLa Bi O\n4 4 16\ndirect\n0.843269 0.138765 0.724863 La\n0.343269 0.861235 0.775137 La\n0.656731 0.138765 0.224863 La\n0.156731 0.861235 0.275137 La\n0.806637 0.671900 0.731356 Bi\n0.306637 0.328100 0.768644 Bi\n0.693363 0.671900 0.231356 Bi\n0.193363 0.328100 0.268644 Bi\n0.250923 0.630599 0.641538 O\n0.130376 0.310408 0.541807 O\n0.510673 0.174015 0.723434 O\n0.662621 0.940139 0.582047 O\n0.750923 0.369401 0.858462 O\n0.162621 0.059861 0.917953 O\n0.010673 0.825985 0.776566 O\n0.369624 0.310408 0.041807 O\n0.630376 0.689592 0.958193 O\n0.989327 0.174015 0.223434 O\n0.837379 0.940139 0.082047 O\n0.249077 0.630599 0.141538 O\n0.337379 0.059861 0.417953 O\n0.489327 0.825985 0.276566 O\n0.869624 0.689592 0.458193 O\n0.749077 0.369401 0.358462 O\n",
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{
"id": "mp-8678",
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"structure_string": "Na2 Al2 P2 O8 F2\n1.0\n4.156400 3.254466 0.000000\n-4.156400 3.254466 0.000000\n0.000000 3.032940 6.302308\nNa Al P O F\n2 2 2 8 2\ndirect\n0.331964 0.668036 0.250000 Na\n0.668036 0.331964 0.750000 Na\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.683020 0.316980 0.250000 P\n0.316980 0.683020 0.750000 P\n0.117307 0.698273 0.621088 O\n0.301727 0.882693 0.878912 O\n0.621820 0.761875 0.600434 O\n0.238125 0.378180 0.899566 O\n0.378180 0.238125 0.399566 O\n0.761875 0.621820 0.100434 O\n0.882693 0.301727 0.378912 O\n0.698273 0.117307 0.121088 O\n0.930468 0.069532 0.750000 F\n0.069532 0.930468 0.250000 F\n",
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{
"id": "mp-557090",
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"structure_string": "Bi8 Au20 F84\n1.0\n8.409605 0.000000 0.000000\n0.000000 8.409605 0.000000\n0.000000 0.000000 26.157055\nBi Au F\n8 20 84\ndirect\n0.057103 0.571254 0.752096 Bi\n0.071254 0.442897 0.502096 Bi\n0.428746 0.942897 0.747904 Bi\n0.442897 0.071254 0.497904 Bi\n0.942897 0.428746 0.252096 Bi\n0.928746 0.557103 0.002096 Bi\n0.557103 0.928746 0.997904 Bi\n0.571254 0.057103 0.247904 Bi\n0.821254 0.207703 0.111041 Au\n0.410921 0.355446 0.843280 Au\n0.355446 0.410921 0.156720 Au\n0.292297 0.321254 0.361041 Au\n0.941905 0.058095 0.750000 Au\n0.441905 0.441905 0.000000 Au\n0.707703 0.678746 0.861041 Au\n0.321254 0.292297 0.638959 Au\n0.089079 0.855446 0.406720 Au\n0.910921 0.144554 0.906720 Au\n0.792297 0.178746 0.388959 Au\n0.207703 0.821254 0.888959 Au\n0.058095 0.941905 0.250000 Au\n0.178746 0.792297 0.611041 Au\n0.644554 0.589079 0.656720 Au\n0.589079 0.644554 0.343280 Au\n0.678746 0.707703 0.138959 Au\n0.558095 0.558095 0.500000 Au\n0.855446 0.089079 0.593280 Au\n0.144554 0.910921 0.093280 Au\n0.558963 0.791079 0.498158 F\n0.906664 0.802398 0.365105 F\n0.365757 0.527497 0.891109 F\n0.413325 0.224739 0.200221 F\n0.941037 0.291079 0.751842 F\n0.093336 0.197602 0.865105 F\n0.684100 0.032257 0.544804 F\n0.302398 0.593336 0.115105 F\n0.322277 0.932528 0.833931 F\n0.184100 0.467743 0.205196 F\n0.815900 0.532257 0.705196 F\n0.821510 0.544885 0.810852 F\n0.410097 0.222726 0.303765 F\n0.935540 0.821908 0.751169 F\n0.634243 0.472503 0.391109 F\n0.208921 0.441037 0.001842 F\n0.914728 0.306616 0.339151 F\n0.032257 0.684100 0.455196 F\n0.275261 0.913325 0.450221 F\n0.719666 0.280334 0.250000 F\n0.432528 0.177723 0.583931 F\n0.567472 0.822277 0.083931 F\n0.967743 0.315900 0.955196 F\n0.585272 0.806616 0.910849 F\n0.697602 0.406664 0.615105 F\n0.472503 0.634243 0.608891 F\n0.722726 0.089903 0.053765 F\n0.791079 0.558963 0.501842 F\n0.802398 0.906664 0.634895 F\n0.193384 0.414728 0.589151 F\n0.678092 0.435540 0.001169 F\n0.910097 0.277274 0.446235 F\n0.821908 0.935540 0.248831 F\n0.589903 0.777274 0.803765 F\n0.306616 0.914728 0.660849 F\n0.177723 0.432528 0.416069 F\n0.321510 0.955115 0.939148 F\n0.224739 0.413325 0.799779 F\n0.586675 0.775261 0.700221 F\n0.455115 0.178490 0.689148 F\n0.027497 0.134243 0.641109 F\n0.544885 0.821510 0.189148 F\n0.678490 0.044885 0.439148 F\n0.044885 0.678490 0.560852 F\n0.932528 0.322277 0.166069 F\n0.822277 0.567472 0.916069 F\n0.089903 0.722726 0.946235 F\n0.467743 0.184100 0.794804 F\n0.972503 0.865757 0.141109 F\n0.913325 0.275261 0.549779 F\n0.058963 0.708921 0.251842 F\n0.086675 0.724739 0.049779 F\n0.134243 0.027497 0.358891 F\n0.532257 0.815900 0.294804 F\n0.955115 0.321510 0.060852 F\n0.527497 0.365757 0.108891 F\n0.724739 0.086675 0.950221 F\n0.291079 0.941037 0.248158 F\n0.593336 0.302398 0.884895 F\n0.441037 0.208921 0.998158 F\n0.178092 0.064460 0.748831 F\n0.435540 0.678092 0.998831 F\n0.865757 0.972503 0.858891 F\n0.178490 0.455115 0.310852 F\n0.280334 0.719666 0.750000 F\n0.406664 0.697602 0.384895 F\n0.414728 0.193384 0.410849 F\n0.219666 0.219666 0.500000 F\n0.780334 0.780334 0.000000 F\n0.222726 0.410097 0.696235 F\n0.677723 0.067472 0.333931 F\n0.564460 0.321908 0.498831 F\n0.085272 0.693384 0.839151 F\n0.806616 0.585272 0.089151 F\n0.708921 0.058963 0.748158 F\n0.315900 0.967743 0.044804 F\n0.067472 0.677723 0.666069 F\n0.321908 0.564460 0.501169 F\n0.197602 0.093336 0.134895 F\n0.693384 0.085272 0.160849 F\n0.064460 0.178092 0.251169 F\n0.775261 0.586675 0.299779 F\n0.777274 0.589903 0.196235 F\n0.277274 0.910097 0.553765 F\n",
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{
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{
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"density": 6.282852087570259,
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"formula_full": "La1 Ti1 O3",
"formula_reduced": "LaTiO3",
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{
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{
"id": "mp-755208",
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"structure_string": "Cr2 Fe4 O10\n1.0\n1.887865 -4.973394 0.000000\n1.887865 4.973394 0.000000\n0.000000 0.000000 9.893481\nCr Fe O\n2 4 10\ndirect\n0.815929 0.184071 0.250000 Cr\n0.184071 0.815929 0.750000 Cr\n0.860777 0.139223 0.562446 Fe\n0.860777 0.139223 0.937554 Fe\n0.139223 0.860777 0.437554 Fe\n0.139223 0.860777 0.062446 Fe\n0.694538 0.305462 0.417220 O\n0.694538 0.305462 0.082780 O\n0.950604 0.049396 0.118172 O\n0.950604 0.049396 0.381828 O\n0.748775 0.251225 0.750000 O\n0.251225 0.748775 0.250000 O\n0.049396 0.950604 0.618172 O\n0.305462 0.694538 0.582780 O\n0.305462 0.694538 0.917220 O\n0.049396 0.950604 0.881828 O\n",
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"density": 4.356137535969046,
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"volume": 185.78169494374282,
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"formula_full": "Cr2 Fe4 O10",
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"spacegroup": 63
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]
}