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{
"id": "mp-604516",
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{
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"structure_string": "Li6 Mn3 Co1 O10\n1.0\n1.432967 2.661322 0.000000\n-1.432967 2.661322 0.000000\n0.000000 0.492707 24.762962\nLi Mn Co O\n6 3 1 10\ndirect\n0.300660 0.300660 0.101330 Li\n0.895813 0.895813 0.302362 Li\n0.505777 0.505777 0.495946 Li\n0.080418 0.080418 0.706294 Li\n0.714371 0.714371 0.894605 Li\n0.405837 0.405837 0.799322 Li\n0.002940 0.002940 0.001347 Mn\n0.798455 0.798455 0.598158 Mn\n0.598225 0.598225 0.200829 Mn\n0.200176 0.200176 0.399777 Co\n0.634354 0.634354 0.047424 O\n0.225931 0.225931 0.246491 O\n0.856965 0.856965 0.445705 O\n0.443323 0.443323 0.640385 O\n0.049441 0.049441 0.851705 O\n0.973365 0.973365 0.154150 O\n0.541195 0.541195 0.354457 O\n0.161147 0.161147 0.553160 O\n0.749684 0.749684 0.747858 O\n0.361925 0.361925 0.958695 O\n",
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{
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"structure_string": "Be8 B16 H64\n1.0\n-6.845848 6.845848 4.551536\n6.845848 -6.845848 4.551536\n6.845848 6.845848 -4.551536\nBe B H\n8 16 64\ndirect\n0.411187 0.800016 0.209592 Be\n0.590424 0.201595 0.790408 Be\n0.451595 0.161187 0.111171 Be\n0.050016 0.340424 0.888829 Be\n0.090424 0.300016 0.388829 Be\n0.951595 0.840424 0.290408 Be\n0.550016 0.661187 0.709592 Be\n0.911187 0.701595 0.611171 Be\n0.428216 0.981958 0.166297 B\n0.815662 0.261919 0.833703 B\n0.511919 0.178216 0.946257 B\n0.231958 0.565662 0.053743 B\n0.315662 0.481958 0.553743 B\n0.011919 0.065662 0.333703 B\n0.731958 0.678216 0.666297 B\n0.928216 0.761919 0.446257 B\n0.553811 0.843947 0.380455 B\n0.463493 0.173356 0.619545 B\n0.423356 0.303811 0.209863 B\n0.093947 0.213493 0.790137 B\n0.963493 0.343947 0.290137 B\n0.923356 0.713493 0.119545 B\n0.593947 0.803811 0.880455 B\n0.053811 0.673356 0.709863 B\n0.553498 0.141027 0.233371 H\n0.907656 0.320127 0.766629 H\n0.570127 0.303498 0.912471 H\n0.391027 0.657656 0.087529 H\n0.407656 0.641027 0.587529 H\n0.070127 0.157656 0.266629 H\n0.891027 0.803498 0.733371 H\n0.053498 0.820127 0.412471 H\n0.311657 0.941417 0.068826 H\n0.872591 0.242831 0.931174 H\n0.492831 0.061657 0.870240 H\n0.191417 0.622591 0.129760 H\n0.372591 0.441417 0.629760 H\n0.992831 0.122591 0.431174 H\n0.691417 0.561657 0.568826 H\n0.811657 0.742831 0.370240 H\n0.486859 0.926059 0.117777 H\n0.808282 0.369081 0.882223 H\n0.619081 0.236859 0.060800 H\n0.176059 0.558282 0.939200 H\n0.308282 0.426059 0.439200 H\n0.361649 0.920620 0.246675 H\n0.119081 0.058282 0.382223 H\n0.986859 0.869081 0.560800 H\n0.138183 0.654395 0.664402 H\n0.723781 0.888183 0.983789 H\n0.904395 0.739993 0.016211 H\n0.989993 0.473781 0.335598 H\n0.223781 0.239993 0.835598 H\n0.404395 0.388183 0.164402 H\n0.489993 0.154395 0.516211 H\n0.638183 0.973781 0.483789 H\n0.060149 0.675862 0.823934 H\n0.486215 0.810149 0.884287 H\n0.925862 0.601928 0.115713 H\n0.851928 0.236215 0.176066 H\n0.986215 0.101928 0.676066 H\n0.425862 0.310149 0.323934 H\n0.351928 0.175862 0.615713 H\n0.560149 0.736215 0.384287 H\n0.104685 0.816896 0.709785 H\n0.644900 0.854685 0.787789 H\n0.066896 0.857111 0.212211 H\n0.107111 0.394900 0.290215 H\n0.144900 0.357111 0.790215 H\n0.566896 0.354685 0.209785 H\n0.607111 0.316896 0.712211 H\n0.604685 0.894900 0.287789 H\n0.894654 0.550653 0.626883 H\n0.517771 0.644654 0.844000 H\n0.800653 0.673770 0.156000 H\n0.923770 0.267771 0.373117 H\n0.017771 0.173770 0.873117 H\n0.300653 0.144654 0.126883 H\n0.423770 0.050653 0.656000 H\n0.394654 0.767771 0.344000 H\n0.861649 0.614974 0.441029 H\n0.670620 0.611649 0.746675 H\n0.864974 0.923945 0.253325 H\n0.173945 0.420620 0.558971 H\n0.170620 0.423945 0.058971 H\n0.364974 0.111649 0.941029 H\n0.673945 0.114974 0.753325 H\n0.676059 0.736859 0.617777 H\n",
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"volume": 853.2424965321442,
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"formula_full": "Be8 B16 H64",
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"energy": -375.41416107,
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"spacegroup": 110
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{
"id": "mp-1022643",
"created_at": "2022-09-04T14:42:08.754956Z",
"structure_string": "K2 Mg12 Zn2\n1.0\n5.194027 0.000000 0.000000\n0.000000 6.774374 0.000000\n0.000000 0.000000 11.571338\nK Mg Zn\n2 12 2\ndirect\n0.500000 0.500000 0.170838 K\n0.500000 0.000000 0.670838 K\n0.000000 0.228865 0.072966 Mg\n0.000000 0.771135 0.072966 Mg\n0.000000 0.500000 0.832719 Mg\n0.500000 0.241305 0.917295 Mg\n0.500000 0.758695 0.917295 Mg\n0.500000 0.500000 0.663343 Mg\n0.000000 0.728865 0.572966 Mg\n0.000000 0.271135 0.572966 Mg\n0.000000 0.000000 0.332719 Mg\n0.500000 0.741305 0.417295 Mg\n0.500000 0.258695 0.417295 Mg\n0.500000 0.000000 0.163343 Mg\n0.000000 0.500000 0.352578 Zn\n0.000000 0.000000 0.852578 Zn\n",
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"formula_full": "K2 Mg12 Zn2",
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{
"id": "mp-1175627",
"created_at": "2022-09-04T14:42:08.756250Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.814332 0.000000 0.000000\n-2.879464 5.133876 0.000000\n-0.150116 -1.789299 9.533263\nLi Mn Co O\n9 2 5 16\ndirect\n0.875551 0.750181 0.247660 Li\n0.750524 0.000206 0.503988 Li\n0.620456 0.246592 0.753478 Li\n0.497460 0.499002 0.995063 Li\n0.380262 0.754710 0.245291 Li\n0.248179 0.000805 0.504983 Li\n0.122479 0.247470 0.751207 Li\n0.000456 0.497779 0.996244 Li\n0.499937 0.001675 0.000777 Li\n0.995785 0.997108 0.001717 Mn\n0.382210 0.247179 0.246216 Mn\n0.759786 0.504610 0.503414 Co\n0.135277 0.758932 0.758241 Co\n0.875068 0.246959 0.246969 Co\n0.251433 0.502343 0.500077 Co\n0.620810 0.758718 0.754509 Co\n0.190129 0.904768 0.126439 O\n0.081323 0.146948 0.363897 O\n0.933484 0.383770 0.616770 O\n0.822182 0.650315 0.884878 O\n0.716436 0.904335 0.124159 O\n0.574515 0.140808 0.359380 O\n0.444817 0.400006 0.623588 O\n0.300964 0.626132 0.863845 O\n0.555202 0.594948 0.372675 O\n0.428962 0.864768 0.625543 O\n0.284125 0.111029 0.882566 O\n0.173762 0.347087 0.129634 O\n0.055494 0.594012 0.372406 O\n0.932936 0.856751 0.628105 O\n0.810781 0.098097 0.876164 O\n0.679212 0.361960 0.140118 O\n",
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{
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{
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"structure_string": "Ba1 Sr7 Ti5 Mn3 O24\n1.0\n5.573962 5.574865 0.000000\n-5.573962 5.574865 0.000000\n0.000000 0.003211 7.831955\nBa Sr Ti Mn O\n1 7 5 3 24\ndirect\n0.248765 0.248765 0.753626 Ba\n0.248230 0.751494 0.754918 Sr\n0.751747 0.751747 0.754876 Sr\n0.751494 0.248230 0.754918 Sr\n0.248297 0.751658 0.245166 Sr\n0.751800 0.751800 0.244905 Sr\n0.248319 0.248319 0.245615 Sr\n0.751658 0.248297 0.245166 Sr\n0.502177 0.502177 0.001289 Ti\n0.998640 0.998640 0.497964 Ti\n0.501344 0.998632 0.497911 Ti\n0.998632 0.501344 0.497911 Ti\n0.501382 0.501382 0.498716 Ti\n0.998822 0.998822 0.000510 Mn\n0.501256 0.999248 0.000736 Mn\n0.999248 0.501256 0.000736 Mn\n0.996096 0.996096 0.752096 O\n0.503779 0.996234 0.752457 O\n0.996234 0.503779 0.752457 O\n0.503231 0.503231 0.751246 O\n0.998978 0.998978 0.247967 O\n0.501078 0.998885 0.247683 O\n0.998885 0.501078 0.247683 O\n0.501253 0.501253 0.248945 O\n0.999047 0.749199 0.000814 O\n0.501187 0.752041 0.001090 O\n0.994788 0.250836 0.005362 O\n0.503895 0.247850 0.004054 O\n0.998679 0.750205 0.498752 O\n0.501300 0.750271 0.498798 O\n0.996489 0.249766 0.496694 O\n0.503437 0.249661 0.496687 O\n0.250836 0.994788 0.005362 O\n0.749199 0.999047 0.000814 O\n0.247850 0.503895 0.004054 O\n0.752041 0.501187 0.001090 O\n0.249766 0.996489 0.496694 O\n0.750205 0.998679 0.498752 O\n0.249661 0.503437 0.496687 O\n0.750271 0.501300 0.498798 O\n",
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{
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{
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{
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"structure_string": "K2 Fe2 S4\n1.0\n5.644290 3.510937 0.000000\n-5.644290 3.510937 0.000000\n0.000000 2.033619 4.971142\nK Fe S\n2 2 4\ndirect\n0.641882 0.358118 0.750000 K\n0.358118 0.641882 0.250000 K\n0.997920 0.002080 0.250000 Fe\n0.002080 0.997920 0.750000 Fe\n0.296671 0.084434 0.402758 S\n0.915566 0.703329 0.097242 S\n0.084434 0.296671 0.902758 S\n0.703329 0.915566 0.597242 S\n",
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}