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{
"id": "mp-11140",
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"structure_string": "Ho8 Sb20\n1.0\n4.226329 0.000000 0.000000\n0.000000 13.169066 0.000000\n0.000000 3.058427 14.319183\nHo Sb\n8 20\ndirect\n0.250000 0.393335 0.770230 Ho\n0.750000 0.606665 0.229770 Ho\n0.250000 0.662163 0.855014 Ho\n0.750000 0.337837 0.144986 Ho\n0.250000 0.669139 0.577661 Ho\n0.750000 0.330861 0.422339 Ho\n0.250000 0.952931 0.361541 Ho\n0.750000 0.047069 0.638459 Ho\n0.250000 0.141776 0.779246 Sb\n0.750000 0.858224 0.220754 Sb\n0.250000 0.143340 0.482171 Sb\n0.750000 0.856660 0.517829 Sb\n0.250000 0.152407 0.171683 Sb\n0.750000 0.847593 0.828317 Sb\n0.250000 0.419816 0.975270 Sb\n0.750000 0.580184 0.024730 Sb\n0.750000 0.030318 0.908291 Sb\n0.250000 0.969682 0.091709 Sb\n0.750000 0.138401 0.322293 Sb\n0.250000 0.861599 0.677707 Sb\n0.750000 0.278557 0.937659 Sb\n0.250000 0.721443 0.062341 Sb\n0.750000 0.284423 0.653315 Sb\n0.250000 0.715577 0.346685 Sb\n0.750000 0.575474 0.734451 Sb\n0.250000 0.424526 0.265549 Sb\n0.750000 0.574407 0.449327 Sb\n0.250000 0.425593 0.550673 Sb\n",
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},
{
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"structure_string": "Rb8 S8 O28\n1.0\n7.741961 0.000000 0.000000\n0.000000 7.769937 0.000000\n0.000000 7.636587 13.248962\nRb S O\n8 8 28\ndirect\n0.225794 0.676973 0.130652 Rb\n0.876914 0.202190 0.156950 Rb\n0.376914 0.797810 0.343050 Rb\n0.725794 0.323027 0.369348 Rb\n0.274206 0.676973 0.630652 Rb\n0.623086 0.202190 0.656950 Rb\n0.123086 0.797810 0.843050 Rb\n0.774206 0.323027 0.869348 Rb\n0.326338 0.238995 0.079465 S\n0.724054 0.766907 0.112390 S\n0.224054 0.233093 0.387610 S\n0.826338 0.761005 0.420535 S\n0.173662 0.238995 0.579465 S\n0.775946 0.766907 0.612390 S\n0.275946 0.233093 0.887610 S\n0.673662 0.761005 0.920535 S\n0.598370 0.765054 0.023162 O\n0.216388 0.414912 0.041540 O\n0.819428 0.953188 0.063488 O\n0.486657 0.248954 0.125976 O\n0.230147 0.053437 0.137669 O\n0.834697 0.591053 0.151492 O\n0.591809 0.753114 0.183629 O\n0.091809 0.246886 0.316371 O\n0.730147 0.946563 0.362331 O\n0.986657 0.751046 0.374024 O\n0.334697 0.408947 0.348508 O\n0.319428 0.046812 0.436512 O\n0.716388 0.585088 0.458460 O\n0.098370 0.234946 0.476838 O\n0.901630 0.765054 0.523162 O\n0.283612 0.414912 0.541540 O\n0.680572 0.953188 0.563488 O\n0.665303 0.591053 0.651492 O\n0.013343 0.248954 0.625976 O\n0.269853 0.053437 0.637669 O\n0.908191 0.753114 0.683629 O\n0.408191 0.246886 0.816371 O\n0.165303 0.408947 0.848508 O\n0.769853 0.946563 0.862331 O\n0.513343 0.751046 0.874024 O\n0.180572 0.046812 0.936512 O\n0.783612 0.585088 0.958460 O\n0.401630 0.234946 0.976838 O\n",
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"elements": [
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"S",
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],
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"density": 2.8924447493715086,
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"volume": 796.9853368284581,
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"formula_full": "Rb8 S8 O28",
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"spacegroup": 14
},
{
"id": "mp-757545",
"created_at": "2022-09-04T14:45:27.157502Z",
"structure_string": "Mn12 Cr18 O40\n1.0\n24.937508 -3.041250 0.000000\n24.937508 3.041250 0.000000\n24.566612 0.000000 5.254525\nMn Cr O\n12 18 40\ndirect\n0.224914 0.224914 0.224914 Mn\n0.900000 0.900000 0.900000 Mn\n0.175022 0.175022 0.175022 Mn\n0.824978 0.824978 0.824978 Mn\n0.775086 0.775086 0.775086 Mn\n0.424914 0.424914 0.424914 Mn\n0.100000 0.100000 0.100000 Mn\n0.375006 0.375006 0.375006 Mn\n0.025002 0.025002 0.025002 Mn\n0.974998 0.974998 0.974998 Mn\n0.624994 0.624994 0.624994 Mn\n0.575086 0.575086 0.575086 Mn\n0.200300 0.699725 0.699725 Cr\n0.699725 0.699725 0.200300 Cr\n0.699725 0.200300 0.699725 Cr\n0.799700 0.300275 0.300275 Cr\n0.500000 0.500000 0.500000 Cr\n0.300275 0.799700 0.300275 Cr\n0.300275 0.300275 0.799700 Cr\n0.400330 0.899709 0.899709 Cr\n0.699973 0.699973 0.699973 Cr\n0.899709 0.400330 0.899709 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.899709 0.899709 0.400330 Cr\n0.000000 0.500000 0.500000 Cr\n0.300027 0.300027 0.300027 Cr\n0.100291 0.100291 0.599670 Cr\n0.100291 0.599670 0.100291 Cr\n0.599670 0.100291 0.100291 Cr\n0.032942 0.580268 0.032942 O\n0.032942 0.032942 0.580268 O\n0.580268 0.032942 0.032942 O\n0.852689 0.852689 0.852689 O\n0.547319 0.547319 0.547319 O\n0.814326 0.369145 0.369145 O\n0.967058 0.419732 0.967058 O\n0.369145 0.369145 0.814326 O\n0.369145 0.814326 0.369145 O\n0.967058 0.967058 0.419732 O\n0.630855 0.185674 0.630855 O\n0.630855 0.630855 0.185674 O\n0.185674 0.630855 0.630855 O\n0.452681 0.452681 0.452681 O\n0.780269 0.232941 0.232941 O\n0.747320 0.747320 0.747320 O\n0.147311 0.147311 0.147311 O\n0.419732 0.967058 0.967058 O\n0.569171 0.014253 0.569171 O\n0.569171 0.569171 0.014253 O\n0.232941 0.232941 0.780269 O\n0.232941 0.780269 0.232941 O\n0.052696 0.052696 0.052696 O\n0.652714 0.652714 0.652714 O\n0.385295 0.830979 0.830979 O\n0.347286 0.347286 0.347286 O\n0.614705 0.169021 0.169021 O\n0.014253 0.569171 0.569171 O\n0.169021 0.614705 0.169021 O\n0.169021 0.169021 0.614705 O\n0.830979 0.830979 0.385295 O\n0.430829 0.430829 0.985747 O\n0.830979 0.385295 0.830979 O\n0.430829 0.985747 0.430829 O\n0.252680 0.252680 0.252680 O\n0.985747 0.430829 0.430829 O\n0.947304 0.947304 0.947304 O\n0.219731 0.767059 0.767059 O\n0.767059 0.219731 0.767059 O\n0.767059 0.767059 0.219731 O\n",
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"elements": [
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"chemical_system": "Cr-Mn-O",
"density": 4.656820909463901,
"density_atomic": 0.08782727483864089,
"volume": 797.0189229781553,
"volume_molar": 6.856800203654357,
"formula_full": "Mn12 Cr18 O40",
"formula_reduced": "Mn6Cr9O20",
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"energy": -642.3915850000001,
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"spacegroup": 166
},
{
"id": "mp-567485",
"created_at": "2022-09-04T14:42:23.493321Z",
"structure_string": "Ca8 Ga8 Au24\n1.0\n9.271883 0.000000 0.000000\n0.000000 9.271883 0.000000\n0.000000 0.000000 9.271883\nCa Ga Au\n8 8 24\ndirect\n0.392741 0.392741 0.392741 Ca\n0.607259 0.892741 0.107259 Ca\n0.107259 0.892741 0.392741 Ca\n0.607259 0.607259 0.607259 Ca\n0.892741 0.392741 0.107259 Ca\n0.392741 0.107259 0.892741 Ca\n0.107259 0.607259 0.892741 Ca\n0.892741 0.107259 0.607259 Ca\n0.895852 0.604148 0.395852 Ga\n0.604148 0.395852 0.895852 Ga\n0.895852 0.895852 0.895852 Ga\n0.395852 0.604148 0.104148 Ga\n0.104148 0.104148 0.104148 Ga\n0.395852 0.895852 0.604148 Ga\n0.604148 0.104148 0.395852 Ga\n0.104148 0.395852 0.604148 Ga\n0.579315 0.261197 0.141874 Au\n0.079315 0.238803 0.858126 Au\n0.261197 0.141874 0.579315 Au\n0.641874 0.579315 0.238803 Au\n0.579315 0.238803 0.641874 Au\n0.261197 0.358126 0.079315 Au\n0.358126 0.420685 0.761197 Au\n0.238803 0.858126 0.079315 Au\n0.238803 0.641874 0.579315 Au\n0.761197 0.141874 0.920685 Au\n0.738803 0.641874 0.920685 Au\n0.738803 0.858126 0.420685 Au\n0.358126 0.079315 0.261197 Au\n0.420685 0.738803 0.858126 Au\n0.920685 0.738803 0.641874 Au\n0.641874 0.920685 0.738803 Au\n0.858126 0.420685 0.738803 Au\n0.420685 0.761197 0.358126 Au\n0.920685 0.761197 0.141874 Au\n0.079315 0.261197 0.358126 Au\n0.761197 0.358126 0.420685 Au\n0.141874 0.579315 0.261197 Au\n0.858126 0.079315 0.238803 Au\n0.141874 0.920685 0.761197 Au\n",
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{
"id": "mp-557282",
"created_at": "2022-09-04T14:47:56.292056Z",
"structure_string": "Rb4 Ce2 N12 O36\n1.0\n7.011618 0.000000 0.000000\n0.000000 8.467199 0.000000\n0.000000 8.103765 13.425995\nRb Ce N O\n4 2 12 36\ndirect\n0.768098 0.633989 0.339073 Rb\n0.731902 0.633989 0.839073 Rb\n0.268098 0.366011 0.160927 Rb\n0.231902 0.366011 0.660927 Rb\n0.500000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.747156 0.671418 0.554010 N\n0.242059 0.786878 0.677262 N\n0.757941 0.213122 0.322738 N\n0.247156 0.328582 0.945990 N\n0.252844 0.328582 0.445990 N\n0.730475 0.107258 0.109903 N\n0.769525 0.107258 0.609903 N\n0.742059 0.213122 0.822738 N\n0.230475 0.892742 0.390097 N\n0.752844 0.671418 0.054010 N\n0.257941 0.786878 0.177262 N\n0.269525 0.892742 0.890097 N\n0.374564 0.695931 0.243550 O\n0.625436 0.304069 0.756450 O\n0.405958 0.293894 0.498662 O\n0.905958 0.706106 0.001338 O\n0.116790 0.856890 0.343053 O\n0.140992 0.449791 0.434930 O\n0.883210 0.143110 0.656947 O\n0.775025 0.039988 0.383546 O\n0.773888 0.771784 0.591920 O\n0.716129 0.172807 0.015926 O\n0.594042 0.706106 0.501338 O\n0.283871 0.827193 0.984074 O\n0.609410 0.289012 0.335807 O\n0.890590 0.289012 0.835807 O\n0.724975 0.039988 0.883546 O\n0.275025 0.960012 0.116454 O\n0.383210 0.856890 0.843053 O\n0.874564 0.304069 0.256450 O\n0.273888 0.228216 0.908080 O\n0.859008 0.550209 0.565070 O\n0.359008 0.449791 0.934930 O\n0.374133 0.001385 0.347591 O\n0.616790 0.143110 0.156947 O\n0.125436 0.695931 0.743550 O\n0.224975 0.960012 0.616454 O\n0.226112 0.228216 0.408080 O\n0.640992 0.550209 0.065070 O\n0.094042 0.293894 0.998662 O\n0.874133 0.998615 0.152409 O\n0.390590 0.710988 0.664193 O\n0.125867 0.001385 0.847591 O\n0.726112 0.771784 0.091920 O\n0.109410 0.710988 0.164193 O\n0.783871 0.172807 0.515926 O\n0.625867 0.998615 0.652409 O\n0.216129 0.827193 0.484074 O\n",
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"formula_full": "Rb4 Ce2 N12 O36",
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{
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"structure_string": "V8 Cu16 H8 O40\n1.0\n6.117549 0.000000 0.000000\n0.000000 8.591785 0.000000\n0.000000 0.000000 15.165821\nV Cu H O\n8 16 8 40\ndirect\n0.250000 0.813432 0.079369 V\n0.750000 0.471973 0.154046 V\n0.250000 0.971973 0.345954 V\n0.750000 0.313432 0.420631 V\n0.250000 0.686568 0.579369 V\n0.750000 0.028027 0.654046 V\n0.250000 0.528027 0.845954 V\n0.750000 0.186568 0.920631 V\n0.250000 0.414622 0.073212 Cu\n0.505264 0.130150 0.137797 Cu\n0.994736 0.130150 0.137797 Cu\n0.750000 0.849625 0.215394 Cu\n0.250000 0.349625 0.284606 Cu\n0.005264 0.630150 0.362203 Cu\n0.494736 0.630150 0.362203 Cu\n0.750000 0.914622 0.426788 Cu\n0.250000 0.085378 0.573212 Cu\n0.505264 0.369850 0.637797 Cu\n0.994736 0.369850 0.637797 Cu\n0.750000 0.650375 0.715394 Cu\n0.250000 0.150375 0.784606 Cu\n0.005264 0.869850 0.862203 Cu\n0.494736 0.869850 0.862203 Cu\n0.750000 0.585378 0.926788 Cu\n0.250000 0.144856 0.002096 H\n0.250000 0.613379 0.221172 H\n0.750000 0.113379 0.278828 H\n0.750000 0.644856 0.497904 H\n0.250000 0.355144 0.502096 H\n0.250000 0.886621 0.721172 H\n0.750000 0.386621 0.778828 H\n0.750000 0.855144 0.997904 H\n0.750000 0.172723 0.032521 O\n0.750000 0.545124 0.050783 O\n0.250000 0.184551 0.063101 O\n0.250000 0.620631 0.115357 O\n0.010130 0.903508 0.121193 O\n0.489870 0.903508 0.121193 O\n0.506919 0.355188 0.171772 O\n0.993081 0.355188 0.171772 O\n0.750000 0.077309 0.215061 O\n0.750000 0.628864 0.227911 O\n0.250000 0.128864 0.272089 O\n0.250000 0.577309 0.284939 O\n0.006919 0.855188 0.328228 O\n0.493081 0.855188 0.328228 O\n0.510130 0.403508 0.378807 O\n0.989870 0.403508 0.378807 O\n0.750000 0.120631 0.384643 O\n0.750000 0.684551 0.436899 O\n0.250000 0.045124 0.449217 O\n0.250000 0.672723 0.467479 O\n0.750000 0.327277 0.532521 O\n0.750000 0.954876 0.550783 O\n0.250000 0.315449 0.563101 O\n0.250000 0.879369 0.615357 O\n0.010130 0.596492 0.621193 O\n0.489870 0.596492 0.621193 O\n0.506919 0.144812 0.671772 O\n0.993081 0.144812 0.671772 O\n0.750000 0.422691 0.715061 O\n0.750000 0.871136 0.727911 O\n0.250000 0.371136 0.772089 O\n0.250000 0.922691 0.784939 O\n0.006919 0.644812 0.828228 O\n0.493081 0.644812 0.828228 O\n0.510130 0.096492 0.878807 O\n0.989870 0.096492 0.878807 O\n0.750000 0.379369 0.884643 O\n0.750000 0.815449 0.936899 O\n0.250000 0.454876 0.949217 O\n0.250000 0.827277 0.967479 O\n",
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},
{
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