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{
"id": "mp-1234878",
"created_at": "2022-09-04T14:47:10.360530Z",
"structure_string": "Ca1 Mn4 Co2 O12\n1.0\n5.023846 0.050789 0.391688\n2.533700 4.449174 0.090683\n0.820255 -0.268730 10.744591\nCa Mn Co O\n1 4 2 12\ndirect\n0.849179 0.738422 0.250262 Ca\n0.298880 0.343496 0.986966 Mn\n0.359546 0.821736 0.510635 Mn\n0.693926 0.150282 0.510437 Mn\n0.637708 0.673471 0.986360 Mn\n0.970259 0.007082 0.982731 Co\n0.025837 0.482818 0.527783 Co\n0.988443 0.147294 0.603078 O\n0.927128 0.387256 0.091070 O\n0.005733 0.635548 0.893031 O\n0.335164 0.002157 0.900022 O\n0.059078 0.816909 0.414354 O\n0.419144 0.116584 0.411044 O\n0.331981 0.499023 0.601038 O\n0.256455 0.689941 0.081854 O\n0.605680 0.015506 0.081104 O\n0.669569 0.334818 0.900055 O\n0.731393 0.478439 0.416745 O\n0.634896 0.852968 0.604902 O\n",
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{
"id": "mp-1199131",
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"structure_string": "Na4 Eu4 P8 H16 C4 O28\n1.0\n15.449199 0.000000 0.000000\n0.000000 6.846380 0.000000\n0.000000 0.153059 6.876318\nNa Eu P H C O\n4 4 8 16 4 28\ndirect\n0.026721 0.135404 0.305317 Na\n0.526721 0.364596 0.694683 Na\n0.973279 0.864596 0.694683 Na\n0.473279 0.635404 0.305317 Na\n0.099844 0.399227 0.827262 Eu\n0.599844 0.100773 0.172738 Eu\n0.900156 0.600773 0.172738 Eu\n0.400156 0.899227 0.827262 Eu\n0.904314 0.366549 0.679434 P\n0.404314 0.133451 0.320566 P\n0.095686 0.633451 0.320566 P\n0.595686 0.866549 0.679434 P\n0.160260 0.893402 0.972093 P\n0.660260 0.606598 0.027907 P\n0.839740 0.106598 0.027907 P\n0.339740 0.393402 0.972093 P\n0.183917 0.256234 0.493023 H\n0.683917 0.243766 0.506977 H\n0.816083 0.743766 0.506977 H\n0.316083 0.756234 0.493023 H\n0.210689 0.075019 0.627359 H\n0.710689 0.424981 0.372641 H\n0.789311 0.924981 0.372641 H\n0.289311 0.575019 0.627359 H\n0.761620 0.321027 0.813717 H\n0.261620 0.178973 0.186283 H\n0.238380 0.678973 0.186283 H\n0.738380 0.821027 0.813717 H\n0.798430 0.111731 0.689271 H\n0.298430 0.388269 0.310729 H\n0.201570 0.888269 0.310729 H\n0.701570 0.611731 0.689271 H\n0.817508 0.224584 0.792539 C\n0.317508 0.275416 0.207461 C\n0.182492 0.775416 0.207461 C\n0.682492 0.724584 0.792539 C\n0.102263 0.755737 0.855966 O\n0.602263 0.744263 0.144034 O\n0.897737 0.244263 0.144034 O\n0.397737 0.255737 0.855966 O\n0.980675 0.227346 0.637808 O\n0.480675 0.272654 0.362192 O\n0.019325 0.772654 0.362192 O\n0.519325 0.727346 0.637808 O\n0.938584 0.521093 0.824859 O\n0.438584 0.978907 0.175141 O\n0.061416 0.478907 0.175141 O\n0.561416 0.021093 0.824859 O\n0.114048 0.089478 0.009524 O\n0.614048 0.410522 0.990476 O\n0.885952 0.910522 0.990476 O\n0.385952 0.589478 0.009524 O\n0.865648 0.468013 0.498162 O\n0.365648 0.031987 0.501838 O\n0.134352 0.531987 0.501838 O\n0.634352 0.968013 0.498162 O\n0.249015 0.928945 0.872914 O\n0.749015 0.571055 0.127086 O\n0.750985 0.071055 0.127086 O\n0.250985 0.428945 0.872914 O\n0.160977 0.144957 0.568874 O\n0.660977 0.355043 0.431126 O\n0.839023 0.855043 0.431126 O\n0.339023 0.644957 0.568874 O\n",
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"formula_full": "Na4 Eu4 P8 H16 C4 O28",
"formula_reduced": "NaEuP2H4CO7",
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"spacegroup": 14
},
{
"id": "mp-1200242",
"created_at": "2022-09-04T14:47:06.223623Z",
"structure_string": "Gd8 Ag8 S16\n1.0\n7.696596 0.000000 0.000000\n0.000000 7.715116 0.000000\n0.000000 0.101020 12.792126\nGd Ag S\n8 8 16\ndirect\n0.504553 0.746338 0.003086 Gd\n0.004553 0.253662 0.996914 Gd\n0.257121 0.001861 0.752902 Gd\n0.757121 0.998139 0.247098 Gd\n0.748717 0.501970 0.747538 Gd\n0.248717 0.498030 0.252462 Gd\n0.003209 0.752556 0.502992 Gd\n0.503209 0.247444 0.497008 Gd\n0.249289 0.500175 0.790630 Ag\n0.749289 0.499825 0.209370 Ag\n0.753926 0.998100 0.696506 Ag\n0.253926 0.001900 0.303494 Ag\n0.004080 0.756518 0.032669 Ag\n0.504080 0.243482 0.967331 Ag\n0.499364 0.742186 0.529424 Ag\n0.999364 0.257814 0.470576 Ag\n0.780245 0.027087 0.465314 S\n0.280245 0.972913 0.534686 S\n0.229596 0.476822 0.471194 S\n0.729596 0.523178 0.528806 S\n0.525488 0.725722 0.221499 S\n0.025488 0.274278 0.778501 S\n0.476250 0.724650 0.786273 S\n0.976250 0.275350 0.213727 S\n0.979965 0.774953 0.720805 S\n0.479965 0.225047 0.279195 S\n0.529675 0.224613 0.713533 S\n0.029675 0.775387 0.286467 S\n0.275882 0.021433 0.970781 S\n0.775882 0.978567 0.029219 S\n0.726239 0.472450 0.964563 S\n0.226239 0.527550 0.035437 S\n",
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"density_atomic": 0.04212753992680881,
"volume": 759.5981169466788,
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"formula_full": "Gd8 Ag8 S16",
"formula_reduced": "GdAgS2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:56.950000Z",
"spacegroup": 4
},
{
"id": "mp-13995",
"created_at": "2022-09-04T14:47:06.224862Z",
"structure_string": "Hg4 Ge2 O8\n1.0\n0.000000 5.627999 5.830788\n3.369347 0.000000 5.830788\n3.369347 5.627999 0.000000\nHg Ge O\n4 2 8\ndirect\n0.682062 0.317938 0.682062 Hg\n0.317938 0.682062 0.317938 Hg\n0.567938 0.932062 0.567938 Hg\n0.932062 0.567938 0.932062 Hg\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 Ge\n0.962361 0.871581 0.836564 O\n0.329494 0.836564 0.871581 O\n0.836564 0.329494 0.962361 O\n0.871581 0.962361 0.329494 O\n0.287639 0.378419 0.413436 O\n0.920506 0.413436 0.378419 O\n0.378419 0.287639 0.920506 O\n0.413436 0.920506 0.287639 O\n",
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],
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"density": 8.077130594325682,
"density_atomic": 0.06330981391259576,
"volume": 221.1347520200915,
"volume_molar": 9.512175739947752,
"formula_full": "Hg4 Ge2 O8",
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"formula_anonymous": "AB2C4",
"energy": -67.90623341,
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{
"id": "mp-559668",
"created_at": "2022-09-04T14:47:06.225914Z",
"structure_string": "Cs8 Cd4 Bi8 S20\n1.0\n4.230187 0.000000 0.000000\n0.000000 16.092652 0.000000\n0.000000 0.000000 18.769764\nCs Cd Bi S\n8 4 8 20\ndirect\n0.750000 0.993366 0.626981 Cs\n0.750000 0.534839 0.387514 Cs\n0.250000 0.465161 0.612486 Cs\n0.250000 0.965161 0.887514 Cs\n0.250000 0.006634 0.373019 Cs\n0.250000 0.506634 0.126981 Cs\n0.750000 0.493366 0.873019 Cs\n0.750000 0.034839 0.112486 Cs\n0.250000 0.711487 0.854456 Cd\n0.750000 0.288513 0.145544 Cd\n0.750000 0.788513 0.354456 Cd\n0.250000 0.211487 0.645544 Cd\n0.250000 0.255080 0.981742 Bi\n0.750000 0.207943 0.804622 Bi\n0.250000 0.292057 0.304622 Bi\n0.250000 0.755080 0.518258 Bi\n0.750000 0.244920 0.481742 Bi\n0.250000 0.792057 0.195378 Bi\n0.750000 0.707943 0.695378 Bi\n0.750000 0.744920 0.018258 Bi\n0.250000 0.637741 0.975826 S\n0.250000 0.137741 0.524174 S\n0.750000 0.639238 0.561532 S\n0.750000 0.182906 0.352894 S\n0.250000 0.360762 0.438468 S\n0.750000 0.362259 0.024174 S\n0.250000 0.817094 0.647106 S\n0.250000 0.700361 0.338282 S\n0.750000 0.893659 0.248968 S\n0.750000 0.393659 0.251032 S\n0.250000 0.106341 0.751032 S\n0.750000 0.799639 0.838282 S\n0.250000 0.860762 0.061532 S\n0.250000 0.606341 0.748968 S\n0.750000 0.299639 0.661718 S\n0.750000 0.139238 0.938468 S\n0.750000 0.682906 0.147106 S\n0.250000 0.200361 0.161718 S\n0.250000 0.317094 0.852894 S\n0.750000 0.862259 0.475826 S\n",
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"density": 4.972234044340265,
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"formula_full": "Cs8 Cd4 Bi8 S20",
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{
"id": "mp-768208",
"created_at": "2022-09-04T14:47:06.226900Z",
"structure_string": "Li12 Sb4 S16\n1.0\n7.202517 0.000000 0.000000\n0.000000 9.249648 0.000000\n0.000000 0.000000 10.066112\nLi Sb S\n12 4 16\ndirect\n0.263945 0.048302 0.245215 Li\n0.263945 0.451698 0.245215 Li\n0.012133 0.750000 0.095785 Li\n0.487867 0.250000 0.595785 Li\n0.236055 0.548302 0.745215 Li\n0.236055 0.951698 0.745215 Li\n0.763945 0.048302 0.254785 Li\n0.763945 0.451698 0.254785 Li\n0.512133 0.750000 0.404215 Li\n0.987867 0.250000 0.904215 Li\n0.736055 0.548302 0.754785 Li\n0.736055 0.951698 0.754785 Li\n0.074566 0.750000 0.493544 Sb\n0.425434 0.250000 0.993544 Sb\n0.574566 0.750000 0.006456 Sb\n0.925434 0.250000 0.506456 Sb\n0.852258 0.750000 0.319343 S\n0.215309 0.052922 0.980223 S\n0.215309 0.447078 0.980223 S\n0.981696 0.750000 0.720208 S\n0.518304 0.250000 0.220208 S\n0.284691 0.552922 0.480223 S\n0.284691 0.947078 0.480223 S\n0.647742 0.250000 0.819343 S\n0.352258 0.750000 0.180657 S\n0.715309 0.052922 0.519777 S\n0.715309 0.447078 0.519777 S\n0.481696 0.750000 0.779792 S\n0.018304 0.250000 0.279792 S\n0.784691 0.947078 0.019777 S\n0.784691 0.552922 0.019777 S\n0.147742 0.250000 0.680657 S\n",
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"density": 2.6825970854637955,
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"volume": 670.6119004634451,
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"formula_full": "Li12 Sb4 S16",
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{
"id": "mp-1209043",
"created_at": "2022-09-04T14:47:06.227976Z",
"structure_string": "Sr2 Al4 Fe3 P4 H4 O26\n1.0\n5.372111 -0.027985 -0.141408\n-1.312565 8.652606 -3.047836\n0.044764 -0.133983 9.877823\nSr Al Fe P H O\n2 4 3 4 4 26\ndirect\n0.123871 0.264421 0.411464 Sr\n0.876129 0.735580 0.588536 Sr\n0.512424 0.071677 0.158883 Al\n0.487576 0.928323 0.841117 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n0.240450 0.631839 0.281787 Fe\n0.759550 0.368161 0.718213 Fe\n0.693620 0.428064 0.269760 P\n0.306380 0.571936 0.730240 P\n0.223192 0.177666 0.761853 P\n0.776808 0.822334 0.238147 P\n0.238716 0.932796 0.277164 H\n0.761284 0.067204 0.722836 H\n0.052323 0.407803 0.038823 H\n0.947677 0.592197 0.961177 H\n0.690321 0.419163 0.112615 O\n0.309679 0.580837 0.887385 O\n0.539436 0.699144 0.165992 O\n0.460564 0.300856 0.834008 O\n0.216085 0.460159 0.089966 O\n0.783915 0.539841 0.910034 O\n0.717565 0.190566 0.545322 O\n0.282435 0.809434 0.454678 O\n0.047140 0.483149 0.646504 O\n0.952860 0.516851 0.353496 O\n0.212834 0.038930 0.820547 O\n0.787166 0.961070 0.179453 O\n0.305192 0.910388 0.006437 O\n0.694808 0.089612 0.993563 O\n0.680569 0.263094 0.281561 O\n0.319431 0.736906 0.718439 O\n0.018568 0.751930 0.198295 O\n0.981432 0.248070 0.801705 O\n0.484032 0.511965 0.354152 O\n0.515968 0.488035 0.645848 O\n0.222334 0.159003 0.135544 O\n0.777666 0.840997 0.864456 O\n0.370154 0.024610 0.320671 O\n0.629846 0.975390 0.679329 O\n0.242492 0.116147 0.597127 O\n0.757508 0.883853 0.402873 O\n",
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{
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