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{
"id": "mp-627418",
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"structure_string": "Ge7 H18 O23\n1.0\n7.668707 0.000000 0.000000\n-0.034199 7.766406 0.000000\n-0.143901 -0.010569 7.951512\nGe H O\n7 18 23\ndirect\n0.862711 0.150285 0.877149 Ge\n0.132569 0.887621 0.860600 Ge\n0.863118 0.867560 0.130629 Ge\n0.143601 0.143658 0.143494 Ge\n0.999427 0.498413 0.008924 Ge\n0.499284 0.007832 0.993572 Ge\n0.001142 0.997311 0.484778 Ge\n0.042241 0.428627 0.530692 H\n0.031230 0.634015 0.568922 H\n0.274708 0.604439 0.919873 H\n0.475562 0.429187 0.032391 H\n0.548929 0.622173 0.030987 H\n0.532380 0.004971 0.390078 H\n0.565637 0.961886 0.581963 H\n0.736891 0.442290 0.314430 H\n0.622966 0.281549 0.273181 H\n0.786651 0.216008 0.553038 H\n0.670512 0.562249 0.692492 H\n0.524235 0.692660 0.722857 H\n0.403022 0.157385 0.562463 H\n0.453414 0.269168 0.736396 H\n0.363059 0.375929 0.583464 H\n0.429160 0.613188 0.360784 H\n0.347265 0.774523 0.454140 H\n0.202277 0.598112 0.423270 H\n0.879064 0.127879 0.115862 O\n0.880892 0.892323 0.879856 O\n0.114296 0.131188 0.880289 O\n0.120397 0.895480 0.112065 O\n0.874858 0.387122 0.854572 O\n0.620096 0.147041 0.858138 O\n0.865417 0.138779 0.617495 O\n0.149072 0.631035 0.881877 O\n0.372382 0.884757 0.849265 O\n0.109216 0.858056 0.626115 O\n0.865446 0.628950 0.128201 O\n0.620882 0.863047 0.117148 O\n0.853809 0.878118 0.363766 O\n0.139123 0.380160 0.139677 O\n0.387536 0.143235 0.133925 O\n0.138793 0.138416 0.378199 O\n0.058689 0.544094 0.484739 O\n0.469044 0.539764 0.974273 O\n0.476745 0.000586 0.500753 O\n0.652711 0.362475 0.364020 O\n0.575434 0.623622 0.634084 O\n0.364900 0.264903 0.641455 O\n0.320908 0.676944 0.376533 O\n",
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{
"id": "mp-562390",
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"structure_string": "K8 Co2 Mo8 O30\n1.0\n5.239820 -9.075635 0.000000\n5.239820 9.075635 0.000000\n0.000000 0.000000 8.310326\nK Co Mo O\n8 2 8 30\ndirect\n0.092489 0.695045 0.140186 K\n0.602556 0.907511 0.140186 K\n0.397444 0.092489 0.859814 K\n0.000000 0.000000 0.000000 K\n0.907511 0.304955 0.859814 K\n0.695045 0.602556 0.859814 K\n0.304955 0.397444 0.140186 K\n0.000000 0.000000 0.500000 K\n0.333333 0.666667 0.473978 Co\n0.666667 0.333333 0.526022 Co\n0.987438 0.329118 0.365492 Mo\n0.012562 0.670882 0.634508 Mo\n0.341680 0.012562 0.365492 Mo\n0.666667 0.333333 0.148781 Mo\n0.658320 0.987438 0.634508 Mo\n0.333333 0.666667 0.851219 Mo\n0.670882 0.658320 0.365492 Mo\n0.329118 0.341680 0.634508 Mo\n0.477278 0.815399 0.653538 O\n0.661879 0.477278 0.346462 O\n0.729552 0.990111 0.441917 O\n0.488987 0.639388 0.346087 O\n0.176371 0.519290 0.945006 O\n0.150401 0.511013 0.346087 O\n0.270448 0.009889 0.558083 O\n0.360612 0.849599 0.346087 O\n0.519290 0.342918 0.054994 O\n0.849599 0.488987 0.653913 O\n0.338121 0.522722 0.653538 O\n0.815399 0.338121 0.346462 O\n0.990111 0.260559 0.558083 O\n0.739441 0.729552 0.558083 O\n0.342918 0.823629 0.945006 O\n0.823629 0.480710 0.054994 O\n0.220104 0.003895 0.210120 O\n0.009889 0.739441 0.441917 O\n0.657082 0.176371 0.054994 O\n0.779896 0.996105 0.789880 O\n0.996105 0.216209 0.210120 O\n0.522722 0.184601 0.346462 O\n0.511013 0.360612 0.653913 O\n0.184601 0.661879 0.653538 O\n0.260559 0.270448 0.441917 O\n0.639388 0.150401 0.653913 O\n0.783791 0.779896 0.210120 O\n0.003895 0.783791 0.789880 O\n0.480710 0.657082 0.945006 O\n0.216209 0.220104 0.789880 O\n",
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},
{
"id": "mp-770818",
"created_at": "2022-09-04T14:47:40.091339Z",
"structure_string": "Li12 Cu20 O16\n1.0\n6.641752 0.000000 0.000000\n0.000000 7.653353 0.000000\n0.000000 3.838112 12.119801\nLi Cu O\n12 20 16\ndirect\n0.624321 0.932928 0.572055 Li\n0.939692 0.637068 0.921639 Li\n0.280610 0.741129 0.564020 Li\n0.875679 0.932928 0.072055 Li\n0.560308 0.637068 0.421639 Li\n0.219390 0.741129 0.064020 Li\n0.780610 0.258871 0.935980 Li\n0.439692 0.362932 0.578361 Li\n0.124321 0.067072 0.927945 Li\n0.719390 0.258871 0.435980 Li\n0.060308 0.362932 0.078361 Li\n0.375679 0.067072 0.427945 Li\n0.572022 0.965225 0.912163 Cu\n0.328634 0.939650 0.742968 Cu\n0.927978 0.965225 0.412163 Cu\n0.471422 0.673113 0.893327 Cu\n0.171366 0.939650 0.242968 Cu\n0.558564 0.541325 0.729608 Cu\n0.028578 0.673113 0.393327 Cu\n0.326218 0.373258 0.913402 Cu\n0.826218 0.626742 0.586598 Cu\n0.058564 0.458675 0.770392 Cu\n0.941436 0.541325 0.229608 Cu\n0.173782 0.373258 0.413402 Cu\n0.673782 0.626742 0.086598 Cu\n0.971422 0.326887 0.606673 Cu\n0.441436 0.458675 0.270392 Cu\n0.828634 0.060350 0.757032 Cu\n0.528578 0.326887 0.106673 Cu\n0.072022 0.034775 0.587837 Cu\n0.671366 0.060350 0.257032 Cu\n0.427978 0.034775 0.087837 Cu\n0.842937 0.024100 0.905721 O\n0.308729 0.879877 0.898030 O\n0.657063 0.024100 0.405721 O\n0.191271 0.879877 0.398030 O\n0.595537 0.458395 0.881043 O\n0.545976 0.620163 0.576610 O\n0.045976 0.379837 0.923390 O\n0.095537 0.541605 0.618957 O\n0.904463 0.458395 0.381043 O\n0.954024 0.620163 0.076610 O\n0.454024 0.379837 0.423390 O\n0.404463 0.541605 0.118957 O\n0.808729 0.120123 0.601970 O\n0.342937 0.975900 0.594279 O\n0.691271 0.120123 0.101970 O\n0.157063 0.975900 0.094279 O\n",
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"formula_full": "Li12 Cu20 O16",
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},
{
"id": "mp-772117",
"created_at": "2022-09-04T14:47:27.456383Z",
"structure_string": "Na8 Co4 C4 S4 O28\n1.0\n0.150369 6.750946 5.267944\n0.150971 -6.754157 5.269108\n9.066822 -0.000477 0.030235\nNa Co C S O\n8 4 4 4 28\ndirect\n0.366894 0.864754 0.213836 Na\n0.866872 0.364206 0.212727 Na\n0.614907 0.618171 0.213158 Na\n0.114690 0.117600 0.213679 Na\n0.632575 0.134278 0.785242 Na\n0.131904 0.635898 0.787594 Na\n0.386002 0.382651 0.787709 Na\n0.884628 0.883155 0.785403 Na\n0.262498 0.512344 0.355085 Co\n0.738826 0.486287 0.644392 Co\n0.762723 0.011628 0.355503 Co\n0.237461 0.988121 0.644799 Co\n0.737726 0.988089 0.083460 C\n0.237854 0.488019 0.083217 C\n0.261901 0.011991 0.916774 C\n0.761714 0.511939 0.916541 C\n0.484955 0.235683 0.421423 S\n0.985498 0.734770 0.420971 S\n0.515091 0.764792 0.579068 S\n0.015052 0.264917 0.578671 S\n0.276518 0.026488 0.054546 O\n0.776416 0.527136 0.054261 O\n0.723112 0.973441 0.945745 O\n0.223175 0.473413 0.945425 O\n0.850015 0.098488 0.144425 O\n0.349443 0.599159 0.144021 O\n0.149851 0.901340 0.855822 O\n0.652618 0.398259 0.855996 O\n0.640479 0.892671 0.180480 O\n0.141313 0.391857 0.180141 O\n0.358884 0.107793 0.819894 O\n0.855955 0.610115 0.819376 O\n0.456295 0.706484 0.430694 O\n0.956337 0.205944 0.430526 O\n0.543271 0.294384 0.569834 O\n0.044179 0.793790 0.569131 O\n0.341988 0.093337 0.441811 O\n0.843680 0.591415 0.441662 O\n0.658185 0.907254 0.558612 O\n0.157341 0.407749 0.558153 O\n0.436418 0.365364 0.335959 O\n0.935705 0.864021 0.335929 O\n0.614818 0.186441 0.336967 O\n0.115487 0.686606 0.335744 O\n0.385604 0.814261 0.664081 O\n0.885013 0.313125 0.663910 O\n0.563836 0.634901 0.663738 O\n0.064293 0.135479 0.663867 O\n",
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{
"id": "mp-1097019",
"created_at": "2022-09-04T14:47:43.125309Z",
"structure_string": "H24 Pb4 C4 N4 F12\n1.0\n7.091882 0.020710 -0.119524\n0.020831 7.062254 -0.196606\n-0.178817 -0.288534 10.778302\nH Pb C N F\n24 4 4 4 12\nSelective dynamics\ndirect\n0.397768 0.897696 0.693502 T T T H\n0.644398 0.953655 0.695487 T T T H\n0.384441 0.053375 0.900936 T T T H\n0.611220 0.113265 0.902642 T T T H\n0.554852 0.884856 0.901605 T T T H\n0.902631 0.395218 0.687218 T T T H\n0.146459 0.462141 0.696375 T T T H\n0.873155 0.534725 0.897623 T T T H\n0.097825 0.603082 0.905680 T T T H\n0.049512 0.373021 0.897015 T T T H\n0.856511 0.486174 0.186683 T T T H\n0.083291 0.374111 0.194372 T T T H\n0.904288 0.609362 0.399545 T T T H\n0.120282 0.516545 0.406787 T T T H\n0.929649 0.376174 0.393285 T T T H\n0.404020 0.895450 0.187753 T T T H\n0.646529 0.968100 0.196021 T T T H\n0.377150 0.030963 0.399654 T T T H\n0.600762 0.103338 0.405454 T T T H\n0.556654 0.873164 0.396336 T T T H\n0.065932 0.627948 0.200880 T T T H\n0.966608 0.641157 0.697485 T T T H\n0.471729 0.139970 0.694745 T T T H\n0.462135 0.142581 0.199783 T T T H\n0.990588 0.992887 0.026324 T T T Pb\n0.498560 0.500285 0.528544 T T T Pb\n0.012073 0.999294 0.528539 T T T Pb\n0.488342 0.495897 0.026791 T T T Pb\n0.504493 0.001462 0.226914 T T T C\n0.004771 0.499660 0.726224 T T T C\n0.999970 0.496898 0.226446 T T T C\n0.505696 0.999422 0.727289 T T T C\n0.507711 0.000470 0.364428 T T T N\n0.004542 0.501174 0.863803 T T T N\n0.989158 0.498637 0.363560 T T T N\n0.512717 0.011731 0.864952 T T T N\n0.005209 0.003749 0.232965 T T T F\n0.501861 0.495280 0.734239 T T T F\n0.999301 0.998063 0.734197 T T T F\n0.504739 0.503078 0.233248 T T T F\n0.235237 0.744940 0.000558 T T T F\n0.755236 0.248270 0.487549 T T T F\n0.222222 0.228542 0.993791 T T T F\n0.756895 0.753250 0.487424 T T T F\n0.737150 0.247037 0.994397 T T T F\n0.252019 0.744769 0.505660 T T T F\n0.723480 0.726762 0.993701 T T T F\n0.259563 0.251150 0.503755 T T T F\n",
"nsites": 48,
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{
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"structure_string": "Ba4 Gd8 Mn8 O28\n1.0\n5.544188 0.000000 0.000000\n0.000000 5.544188 0.000000\n0.000000 0.000000 20.098601\nBa Gd Mn O\n4 8 8 28\ndirect\n0.244028 0.244028 0.000000 Ba\n0.255972 0.744028 0.500000 Ba\n0.744028 0.255972 0.500000 Ba\n0.755972 0.755972 0.000000 Ba\n0.228731 0.228731 0.183660 Gd\n0.271269 0.728731 0.683660 Gd\n0.728731 0.271269 0.683660 Gd\n0.728731 0.271269 0.316340 Gd\n0.271269 0.728731 0.316340 Gd\n0.771269 0.771269 0.183660 Gd\n0.228731 0.228731 0.816340 Gd\n0.771269 0.771269 0.816340 Gd\n0.246327 0.246327 0.397841 Mn\n0.253673 0.746327 0.897841 Mn\n0.746327 0.253673 0.897841 Mn\n0.746327 0.253673 0.102159 Mn\n0.253673 0.746327 0.102159 Mn\n0.753673 0.753673 0.397841 Mn\n0.246327 0.246327 0.602159 Mn\n0.753673 0.753673 0.602159 Mn\n0.274080 0.725920 0.000000 O\n0.774080 0.774080 0.500000 O\n0.225920 0.225920 0.500000 O\n0.725920 0.274080 0.000000 O\n0.000000 0.500000 0.387650 O\n0.000000 0.500000 0.887650 O\n0.500000 0.000000 0.112350 O\n0.500000 0.000000 0.612350 O\n0.000000 0.500000 0.612350 O\n0.000000 0.500000 0.112350 O\n0.500000 0.000000 0.887650 O\n0.500000 0.000000 0.387650 O\n0.000000 0.000000 0.099557 O\n0.500000 0.500000 0.599557 O\n0.500000 0.500000 0.400443 O\n0.000000 0.000000 0.900443 O\n0.000000 0.000000 0.375397 O\n0.500000 0.500000 0.875397 O\n0.500000 0.500000 0.124603 O\n0.000000 0.000000 0.624603 O\n0.298196 0.298196 0.291650 O\n0.201804 0.798196 0.791650 O\n0.798196 0.201804 0.791650 O\n0.798196 0.201804 0.208350 O\n0.201804 0.798196 0.208350 O\n0.701804 0.701804 0.291650 O\n0.298196 0.298196 0.708350 O\n0.701804 0.701804 0.708350 O\n",
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"formula_full": "Ba4 Gd8 Mn8 O28",
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{
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