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{
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{
"id": "mp-558945",
"created_at": "2022-09-04T14:42:03.498362Z",
"structure_string": "Hg12 As4 Br4 O16\n1.0\n8.701070 0.000000 0.000000\n0.000000 8.701070 0.000000\n0.000000 0.000000 8.701070\nHg As Br O\n12 4 4 16\ndirect\n0.893666 0.857521 0.552732 Hg\n0.142479 0.052732 0.606334 Hg\n0.393666 0.642479 0.447268 Hg\n0.357521 0.947268 0.106334 Hg\n0.052732 0.606334 0.142479 Hg\n0.606334 0.142479 0.052732 Hg\n0.947268 0.106334 0.357521 Hg\n0.552732 0.893666 0.857521 Hg\n0.642479 0.447268 0.393666 Hg\n0.447268 0.393666 0.642479 Hg\n0.857521 0.552732 0.893666 Hg\n0.106334 0.357521 0.947268 Hg\n0.517081 0.017081 0.482919 As\n0.482919 0.517081 0.017081 As\n0.982919 0.982919 0.982919 As\n0.017081 0.482919 0.517081 As\n0.263730 0.763730 0.736270 Br\n0.236270 0.236270 0.236270 Br\n0.763730 0.736270 0.263730 Br\n0.736270 0.263730 0.763730 Br\n0.602094 0.395704 0.124375 O\n0.895704 0.375625 0.397906 O\n0.604296 0.624375 0.897906 O\n0.104296 0.875625 0.102094 O\n0.102094 0.104296 0.875625 O\n0.630435 0.130435 0.369565 O\n0.397906 0.895704 0.375625 O\n0.897906 0.604296 0.624375 O\n0.869565 0.869565 0.869565 O\n0.130435 0.369565 0.630435 O\n0.369565 0.630435 0.130435 O\n0.375625 0.397906 0.895704 O\n0.124375 0.602094 0.395704 O\n0.875625 0.102094 0.104296 O\n0.624375 0.897906 0.604296 O\n0.395704 0.124375 0.602094 O\n",
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"spacegroup": 198
},
{
"id": "mp-557090",
"created_at": "2022-09-04T14:46:15.070011Z",
"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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"volume": 1849.8650209689406,
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"formula_full": "Bi8 Au20 F84",
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"energy": -453.51683026,
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"updated_at": "2021-11-28T01:37:29.081000Z",
"spacegroup": 92
},
{
"id": "mp-1003545",
"created_at": "2022-09-04T14:46:08.680487Z",
"structure_string": "Mg1 Mn4 O8\n1.0\n-5.279668 0.000000 0.000000\n1.807911 5.531635 0.000000\n-0.045743 -2.897729 -5.226537\nMg Mn O\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.958058 0.498651 0.242809 Mn\n0.002198 0.994056 0.753744 Mn\n0.041942 0.501349 0.757191 Mn\n0.997802 0.005944 0.246256 Mn\n0.781048 0.000695 0.365121 O\n0.795579 0.073535 0.835022 O\n0.819244 0.480827 0.892899 O\n0.784266 0.474816 0.403018 O\n0.180756 0.519173 0.107101 O\n0.215734 0.525184 0.596982 O\n0.218952 0.999305 0.634879 O\n0.204421 0.926465 0.164978 O\n",
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],
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"volume": 152.64203903947427,
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"formula_full": "Mg1 Mn4 O8",
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{
"id": "mp-675449",
"created_at": "2022-09-04T14:44:13.912887Z",
"structure_string": "Pt4 O9 F24\n1.0\n9.446868 -0.129645 -3.044870\n-4.878622 7.334115 -3.054145\n0.096017 0.180237 9.459104\nPt O F\n4 9 24\ndirect\n0.510528 0.998754 0.491932 Pt\n0.007096 0.014794 0.015913 Pt\n0.489999 0.500469 0.987091 Pt\n0.025053 0.471539 0.486503 Pt\n0.496590 0.961414 0.928934 O\n0.389544 0.442220 0.423795 O\n0.509368 0.507277 0.558465 O\n0.506530 0.028020 0.066282 O\n0.789712 0.431456 0.329764 O\n0.119547 0.487860 0.827732 O\n0.801495 0.513337 0.248970 O\n0.897233 0.664395 0.644492 O\n0.146628 0.906898 0.425335 O\n0.160052 0.726239 0.668975 F\n0.084241 0.557889 0.342097 F\n0.217113 0.458213 0.574182 F\n0.442467 0.678362 0.984765 F\n0.253244 0.314392 0.831220 F\n0.335964 0.835667 0.258447 F\n0.060957 0.256847 0.096220 F\n0.076755 0.056774 0.245349 F\n0.468282 0.802034 0.534826 F\n0.534504 0.470926 0.800224 F\n0.316297 0.019074 0.556415 F\n0.780393 0.926840 0.969908 F\n0.231096 0.093144 0.055889 F\n0.677509 0.985390 0.439197 F\n0.455478 0.521659 0.178645 F\n0.555366 0.199988 0.453819 F\n0.946090 0.983692 0.792201 F\n0.951717 0.769595 0.932333 F\n0.682243 0.165804 0.727029 F\n0.725059 0.692771 0.140572 F\n0.535321 0.319466 0.991935 F\n0.768626 0.662813 0.538061 F\n0.975385 0.384613 0.662530 F\n0.888522 0.217575 0.312154 F\n",
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{
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"created_at": "2022-09-04T14:45:19.333725Z",
"structure_string": "Li3 Mn4 P6 O24\n1.0\n8.354772 0.000000 0.000000\n-4.088035 7.411217 0.000000\n-0.122388 -4.818453 7.021662\nLi Mn P O\n3 4 6 24\ndirect\n0.494632 0.486967 0.492756 Li\n0.606717 0.849195 0.640249 Li\n0.497613 0.999363 0.015813 Li\n0.784260 0.860724 0.856452 Mn\n0.209862 0.635828 0.649182 Mn\n0.783530 0.364673 0.353448 Mn\n0.219172 0.138031 0.145539 Mn\n0.281269 0.541401 0.971292 P\n0.016084 0.256528 0.528509 P\n0.710814 0.967336 0.251132 P\n0.293387 0.039598 0.751490 P\n0.983535 0.747351 0.462495 P\n0.711864 0.453332 0.034444 P\n0.076898 0.004266 0.795714 O\n0.701250 0.617509 0.978246 O\n0.926852 0.472095 0.884818 O\n0.189777 0.421393 0.552036 O\n0.473813 0.741330 0.937144 O\n0.822065 0.084490 0.719513 O\n0.533602 0.779334 0.434564 O\n0.319017 0.060596 0.919013 O\n0.698182 0.135899 0.297442 O\n0.678218 0.444729 0.230956 O\n0.095928 0.689483 0.526874 O\n0.842725 0.805709 0.603696 O\n0.151059 0.197431 0.376486 O\n0.900833 0.320924 0.477113 O\n0.321014 0.559086 0.769618 O\n0.320026 0.873316 0.707779 O\n0.669893 0.939350 0.096858 O\n0.477887 0.232049 0.579817 O\n0.180987 0.912542 0.265483 O\n0.527371 0.256945 0.054602 O\n0.813939 0.580124 0.438278 O\n0.070687 0.525072 0.120790 O\n0.294822 0.375822 0.018131 O\n0.928344 0.993662 0.201134 O\n",
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"formula_full": "Li3 Mn4 P6 O24",
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{
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"created_at": "2022-09-04T14:39:44.352837Z",
"structure_string": "In4 Ag3 Ge4 Se16\n1.0\n-4.132498 4.132498 11.156960\n4.132498 -4.132498 11.156960\n4.132498 4.132498 -11.156960\nIn Ag Ge Se\n4 3 4 16\ndirect\n0.127073 0.622607 0.994916 In\n0.627690 0.132157 0.005084 In\n0.377393 0.372310 0.504467 In\n0.867843 0.872927 0.495533 In\n0.249752 0.249752 0.000000 Ag\n0.750248 0.750248 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.503409 0.003409 0.500000 Ge\n0.996591 0.496591 0.500000 Ge\n0.288442 0.049335 0.708754 Se\n0.787967 0.548592 0.707023 Se\n0.340581 0.579688 0.291246 Se\n0.841569 0.080944 0.292977 Se\n0.694159 0.463006 0.272976 Se\n0.203442 0.961930 0.292945 Se\n0.190030 0.421183 0.727024 Se\n0.668984 0.910497 0.707055 Se\n0.451408 0.158431 0.239375 Se\n0.950665 0.659419 0.239107 Se\n0.919056 0.212033 0.760625 Se\n0.420312 0.711558 0.760893 Se\n0.038070 0.331016 0.241513 Se\n0.536994 0.809970 0.231153 Se\n0.089503 0.796558 0.758487 Se\n0.578817 0.305841 0.768847 Se\n",
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"spacegroup": 82
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{
"id": "mp-1210538",
"created_at": "2022-09-04T14:41:48.519457Z",
"structure_string": "N2 Cl2 O4\n1.0\n6.271663 0.000000 0.000000\n0.000000 6.271663 0.000000\n0.000000 0.000000 3.872107\nN Cl O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.410561 Cl\n0.500000 0.000000 0.589439 Cl\n0.642165 0.857835 0.383281 O\n0.357835 0.142165 0.383281 O\n0.142165 0.642165 0.616719 O\n0.857835 0.357835 0.616719 O\n",
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{
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{
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{
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{
"id": "mp-542644",
"created_at": "2022-09-04T14:44:30.709829Z",
"structure_string": "Zn2 In2 S5\n1.0\n15.673365 -1.961006 0.000000\n15.673365 1.961006 0.000000\n15.428009 0.000000 3.387689\nZn In S\n2 2 5\ndirect\n0.688196 0.688196 0.688196 Zn\n0.517133 0.517133 0.517133 Zn\n0.103904 0.103904 0.103904 In\n0.922265 0.922265 0.922265 In\n0.008240 0.008240 0.008240 S\n0.469226 0.469226 0.469226 S\n0.611174 0.611174 0.611174 S\n0.742984 0.742984 0.742984 S\n0.868878 0.868878 0.868878 S\n",
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{
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"structure_string": "Dy8 Zn10 Ge12\n1.0\n2.163257 -9.252640 0.000000\n2.163257 9.252640 0.000000\n0.000000 0.000000 15.192754\nDy Zn Ge\n8 10 12\ndirect\n0.019412 0.980588 0.762993 Dy\n0.980588 0.019412 0.262993 Dy\n0.175590 0.824410 0.318743 Dy\n0.824410 0.175590 0.818743 Dy\n0.167475 0.832525 0.959454 Dy\n0.832525 0.167475 0.459454 Dy\n0.032733 0.967267 0.500476 Dy\n0.967267 0.032733 0.000476 Dy\n0.346101 0.653899 0.989303 Zn\n0.653899 0.346101 0.489303 Zn\n0.300200 0.699800 0.638768 Zn\n0.699800 0.300200 0.138768 Zn\n0.648617 0.351383 0.782734 Zn\n0.351383 0.648617 0.282734 Zn\n0.150756 0.849244 0.636023 Zn\n0.849244 0.150756 0.136023 Zn\n0.434774 0.565226 0.577359 Zn\n0.565226 0.434774 0.077359 Zn\n0.229453 0.770547 0.497239 Ge\n0.770547 0.229453 0.997239 Ge\n0.430755 0.569245 0.856090 Ge\n0.569245 0.430755 0.356090 Ge\n0.224454 0.775546 0.778073 Ge\n0.775546 0.224454 0.278073 Ge\n0.559440 0.440560 0.908867 Ge\n0.440560 0.559440 0.408867 Ge\n0.567017 0.432983 0.634196 Ge\n0.432983 0.567017 0.134196 Ge\n0.111049 0.888951 0.145856 Ge\n0.888951 0.111049 0.645856 Ge\n",
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}