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{
"id": "mp-24430",
"created_at": "2022-09-04T14:43:35.419148Z",
"structure_string": "Cd8 Co8 H144 N48 Cl40\n1.0\n13.899555 -0.000000 8.024911\n4.633185 13.104626 8.024911\n-0.000000 -0.000000 16.049823\nH N Cl Co Cd\n144 48 40 8 8\ndirect\n0.953733 0.051928 0.150386 H\n0.448072 0.349614 0.156046 H\n0.156046 0.546267 0.448072 H\n0.448072 0.156046 0.546267 H\n0.349614 0.546267 0.156046 H\n0.349614 0.156046 0.448072 H\n0.156046 0.349614 0.546267 H\n0.150386 0.953733 0.051928 H\n0.051928 0.150386 0.953733 H\n0.343954 0.953733 0.150386 H\n0.051928 0.343954 0.150386 H\n0.343954 0.051928 0.953733 H\n0.150386 0.051928 0.343954 H\n0.953733 0.150386 0.343954 H\n0.953733 0.343954 0.051928 H\n0.156046 0.448072 0.349614 H\n0.546267 0.156046 0.349614 H\n0.546267 0.448072 0.156046 H\n0.448072 0.546267 0.349614 H\n0.349614 0.448072 0.546267 H\n0.546267 0.349614 0.448072 H\n0.150386 0.343954 0.953733 H\n0.343954 0.150386 0.051928 H\n0.051928 0.953733 0.343954 H\n0.046267 0.948072 0.849614 H\n0.551928 0.650386 0.843954 H\n0.843954 0.453733 0.551928 H\n0.551928 0.843954 0.453733 H\n0.650386 0.453733 0.843954 H\n0.650386 0.843954 0.551928 H\n0.843954 0.650386 0.453733 H\n0.849614 0.046267 0.948072 H\n0.948072 0.849614 0.046267 H\n0.656046 0.046267 0.849614 H\n0.948072 0.656046 0.849614 H\n0.656046 0.948072 0.046267 H\n0.849614 0.948072 0.656046 H\n0.046267 0.849614 0.656046 H\n0.046267 0.656046 0.948072 H\n0.843954 0.551928 0.650386 H\n0.453733 0.843954 0.650386 H\n0.453733 0.551928 0.843954 H\n0.551928 0.453733 0.650386 H\n0.650386 0.551928 0.453733 H\n0.453733 0.650386 0.551928 H\n0.849614 0.656046 0.046267 H\n0.656046 0.849614 0.948072 H\n0.948072 0.046267 0.656046 H\n0.879756 0.988785 0.181974 H\n0.511215 0.318026 0.050515 H\n0.050515 0.620244 0.511215 H\n0.511215 0.050515 0.620244 H\n0.318026 0.620244 0.050515 H\n0.318026 0.050515 0.511215 H\n0.050515 0.318026 0.620244 H\n0.181974 0.879756 0.988785 H\n0.988785 0.181974 0.879756 H\n0.449485 0.879756 0.181974 H\n0.988785 0.449485 0.181974 H\n0.449485 0.988785 0.879756 H\n0.181974 0.988785 0.449485 H\n0.879756 0.181974 0.449485 H\n0.879756 0.449485 0.988785 H\n0.050515 0.511215 0.318026 H\n0.620244 0.050515 0.318026 H\n0.620244 0.511215 0.050515 H\n0.511215 0.620244 0.318026 H\n0.318026 0.511215 0.620244 H\n0.620244 0.318026 0.511215 H\n0.181974 0.449485 0.879756 H\n0.449485 0.181974 0.988785 H\n0.988785 0.879756 0.449485 H\n0.120244 0.011215 0.818026 H\n0.488785 0.681974 0.949485 H\n0.949485 0.379756 0.488785 H\n0.488785 0.949485 0.379756 H\n0.681974 0.379756 0.949485 H\n0.681974 0.949485 0.488785 H\n0.949485 0.681974 0.379756 H\n0.818026 0.120244 0.011215 H\n0.011215 0.818026 0.120244 H\n0.550515 0.120244 0.818026 H\n0.011215 0.550515 0.818026 H\n0.550515 0.011215 0.120244 H\n0.818026 0.011215 0.550515 H\n0.120244 0.818026 0.550515 H\n0.120244 0.550515 0.011215 H\n0.949485 0.488785 0.681974 H\n0.379756 0.949485 0.681974 H\n0.379756 0.488785 0.949485 H\n0.488785 0.379756 0.681974 H\n0.681974 0.488785 0.379756 H\n0.379756 0.681974 0.488785 H\n0.818026 0.550515 0.120244 H\n0.550515 0.818026 0.011215 H\n0.011215 0.120244 0.550515 H\n0.997849 0.925619 0.182253 H\n0.574381 0.317747 0.105721 H\n0.105721 0.502151 0.574381 H\n0.574381 0.105721 0.502151 H\n0.317747 0.502151 0.105721 H\n0.317747 0.105721 0.574381 H\n0.105721 0.317747 0.502151 H\n0.182253 0.997849 0.925619 H\n0.925619 0.182253 0.997849 H\n0.394278 0.997849 0.182253 H\n0.925619 0.394278 0.182253 H\n0.394278 0.925619 0.997849 H\n0.182253 0.925619 0.394278 H\n0.997849 0.182253 0.394278 H\n0.997849 0.394278 0.925619 H\n0.105721 0.574381 0.317747 H\n0.502151 0.105721 0.317747 H\n0.502151 0.574381 0.105721 H\n0.574381 0.502151 0.317747 H\n0.317747 0.574381 0.502151 H\n0.502151 0.317747 0.574381 H\n0.182253 0.394278 0.997849 H\n0.394278 0.182253 0.925619 H\n0.925619 0.997849 0.394278 H\n0.002151 0.074381 0.817747 H\n0.425619 0.682253 0.894278 H\n0.894278 0.497849 0.425619 H\n0.425619 0.894278 0.497849 H\n0.682253 0.497849 0.894278 H\n0.682253 0.894278 0.425619 H\n0.894278 0.682253 0.497849 H\n0.817747 0.002151 0.074381 H\n0.074381 0.817747 0.002151 H\n0.605722 0.002151 0.817747 H\n0.074381 0.605722 0.817747 H\n0.605722 0.074381 0.002151 H\n0.817747 0.074381 0.605722 H\n0.002151 0.817747 0.605722 H\n0.002151 0.605722 0.074381 H\n0.894278 0.425619 0.682253 H\n0.497849 0.894278 0.682253 H\n0.497849 0.425619 0.894278 H\n0.425619 0.497849 0.682253 H\n0.682253 0.425619 0.497849 H\n0.497849 0.682253 0.425619 H\n0.817747 0.605722 0.002151 H\n0.605722 0.817747 0.074381 H\n0.074381 0.002151 0.605722 H\n0.952748 0.991955 0.143173 N\n0.508045 0.356827 0.087875 N\n0.087875 0.547252 0.508045 N\n0.508045 0.087875 0.547252 N\n0.356827 0.547252 0.087875 N\n0.356827 0.087875 0.508045 N\n0.087875 0.356827 0.547252 N\n0.143173 0.952748 0.991955 N\n0.991955 0.143173 0.952748 N\n0.412125 0.952748 0.143173 N\n0.991955 0.412125 0.143173 N\n0.412125 0.991955 0.952748 N\n0.143173 0.991955 0.412125 N\n0.952748 0.143173 0.412125 N\n0.952748 0.412125 0.991955 N\n0.087875 0.508045 0.356827 N\n0.547252 0.087875 0.356827 N\n0.547252 0.508045 0.087875 N\n0.508045 0.547252 0.356827 N\n0.356827 0.508045 0.547252 N\n0.547252 0.356827 0.508045 N\n0.143173 0.412125 0.952748 N\n0.412125 0.143173 0.991955 N\n0.991955 0.952748 0.412125 N\n0.047252 0.008045 0.856827 N\n0.491955 0.643173 0.912125 N\n0.912125 0.452748 0.491955 N\n0.491955 0.912125 0.452748 N\n0.643173 0.452748 0.912125 N\n0.643173 0.912125 0.491955 N\n0.912125 0.643173 0.452748 N\n0.856827 0.047252 0.008045 N\n0.008045 0.856827 0.047252 N\n0.587875 0.047252 0.856827 N\n0.008045 0.587875 0.856827 N\n0.587875 0.008045 0.047252 N\n0.856827 0.008045 0.587875 N\n0.047252 0.856827 0.587875 N\n0.047252 0.587875 0.008045 N\n0.912125 0.491955 0.643173 N\n0.452748 0.912125 0.643173 N\n0.452748 0.491955 0.912125 N\n0.491955 0.452748 0.643173 N\n0.643173 0.491955 0.452748 N\n0.452748 0.643173 0.491955 N\n0.856827 0.587875 0.047252 N\n0.587875 0.856827 0.008045 N\n0.008045 0.047252 0.587875 N\n0.185284 0.185284 0.185284 Cl\n0.314716 0.314716 0.555852 Cl\n0.555852 0.314716 0.314716 Cl\n0.314716 0.555852 0.314716 Cl\n0.944148 0.185284 0.185284 Cl\n0.185284 0.944148 0.185284 Cl\n0.185284 0.185284 0.944148 Cl\n0.314716 0.314716 0.314716 Cl\n0.814716 0.814716 0.814716 Cl\n0.685284 0.685284 0.444148 Cl\n0.444148 0.685284 0.685284 Cl\n0.685284 0.444148 0.685284 Cl\n0.055852 0.814716 0.814716 Cl\n0.814716 0.055852 0.814716 Cl\n0.814716 0.814716 0.055852 Cl\n0.685284 0.685284 0.685284 Cl\n0.750000 0.085146 0.414854 Cl\n0.414854 0.085146 0.250000 Cl\n0.250000 0.750000 0.414854 Cl\n0.414854 0.250000 0.750000 Cl\n0.085146 0.750000 0.250000 Cl\n0.085146 0.250000 0.414854 Cl\n0.250000 0.085146 0.750000 Cl\n0.414854 0.750000 0.085146 Cl\n0.085146 0.414854 0.750000 Cl\n0.750000 0.414854 0.250000 Cl\n0.750000 0.250000 0.085146 Cl\n0.250000 0.414854 0.085146 Cl\n0.250000 0.914854 0.585146 Cl\n0.585146 0.914854 0.750000 Cl\n0.750000 0.250000 0.585146 Cl\n0.585146 0.750000 0.250000 Cl\n0.914854 0.250000 0.750000 Cl\n0.914854 0.750000 0.585146 Cl\n0.750000 0.914854 0.250000 Cl\n0.585146 0.250000 0.914854 Cl\n0.914854 0.585146 0.250000 Cl\n0.250000 0.585146 0.750000 Cl\n0.250000 0.750000 0.914854 Cl\n0.750000 0.585146 0.914854 Cl\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.250000 0.250000 0.250000 Cd\n0.250000 0.250000 0.750000 Cd\n0.750000 0.250000 0.250000 Cd\n0.250000 0.750000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.750000 0.750000 0.250000 Cd\n0.250000 0.750000 0.750000 Cd\n0.750000 0.250000 0.750000 Cd\n",
"nsites": 248,
"nelements": 5,
"elements": [
"H",
"N",
"Cl",
"Co",
"Cd"
],
"chemical_system": "Cd-Cl-Co-H-N",
"density": 2.048423802207481,
"density_atomic": 0.0848312577813171,
"volume": 2923.4507006757894,
"volume_molar": 7.09896436467348,
"formula_full": "Cd8 Co8 H144 N48 Cl40",
"formula_reduced": "CdCoH18N6Cl5",
"formula_anonymous": "ABC5D6E18",
"energy": -1210.87830207,
"energy_per_atom": -4.8825737986693545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1168.99030207,
"band_gap": 2.4999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.215000Z",
"spacegroup": 228
},
{
"id": "mp-1205023",
"created_at": "2022-09-04T14:47:41.987723Z",
"structure_string": "Sr32 Mn16 Bi32 O104\n1.0\n0.000000 -5.532395 0.000000\n-22.224361 0.000000 0.000000\n0.000000 0.000000 -23.774908\nSr Mn Bi O\n32 16 32 104\ndirect\n0.754255 0.383276 0.681102 Sr\n0.254255 0.616724 0.318898 Sr\n0.254255 0.116724 0.181102 Sr\n0.754255 0.883276 0.818898 Sr\n0.247640 0.262656 0.667281 Sr\n0.747640 0.737344 0.332719 Sr\n0.747640 0.237344 0.167281 Sr\n0.247640 0.762656 0.832719 Sr\n0.747042 0.130926 0.648966 Sr\n0.247042 0.869074 0.351034 Sr\n0.247042 0.369074 0.148966 Sr\n0.747042 0.630926 0.851034 Sr\n0.244824 0.990156 0.646839 Sr\n0.744824 0.009844 0.353161 Sr\n0.744824 0.509844 0.146839 Sr\n0.244824 0.490156 0.853161 Sr\n0.749404 0.861505 0.666621 Sr\n0.249404 0.138495 0.333379 Sr\n0.249404 0.638495 0.166621 Sr\n0.749404 0.361505 0.833379 Sr\n0.253416 0.739042 0.680704 Sr\n0.753416 0.260958 0.319296 Sr\n0.753416 0.760958 0.180704 Sr\n0.253416 0.239042 0.819296 Sr\n0.751603 0.619296 0.691470 Sr\n0.251603 0.380704 0.308530 Sr\n0.251603 0.880704 0.191470 Sr\n0.751603 0.119296 0.808530 Sr\n0.251882 0.502139 0.691989 Sr\n0.751882 0.497861 0.308011 Sr\n0.751882 0.997861 0.191989 Sr\n0.251882 0.002139 0.808011 Sr\n0.251269 0.373513 0.761822 Mn\n0.751269 0.626487 0.238178 Mn\n0.751269 0.126487 0.261822 Mn\n0.251269 0.873513 0.738178 Mn\n0.749621 0.248973 0.741579 Mn\n0.249621 0.751027 0.258421 Mn\n0.249621 0.251027 0.241579 Mn\n0.749621 0.748973 0.758421 Mn\n0.248517 0.124834 0.724778 Mn\n0.748517 0.875166 0.275222 Mn\n0.748517 0.375166 0.224778 Mn\n0.248517 0.624834 0.775222 Mn\n0.748208 0.997178 0.723387 Mn\n0.248208 0.002822 0.276613 Mn\n0.248208 0.502822 0.223387 Mn\n0.748208 0.497178 0.776613 Mn\n0.276551 0.391527 0.566280 Bi\n0.776551 0.608473 0.433720 Bi\n0.776551 0.108473 0.066280 Bi\n0.276551 0.891527 0.933720 Bi\n0.728384 0.272325 0.557473 Bi\n0.228384 0.727675 0.442527 Bi\n0.228384 0.227675 0.057473 Bi\n0.728384 0.772325 0.942527 Bi\n0.259893 0.128705 0.553898 Bi\n0.759893 0.871295 0.446102 Bi\n0.759893 0.371295 0.053898 Bi\n0.259893 0.628705 0.946102 Bi\n0.753840 0.997795 0.551523 Bi\n0.253840 0.002204 0.448477 Bi\n0.253840 0.502205 0.051523 Bi\n0.753840 0.497796 0.948477 Bi\n0.231461 0.850614 0.556260 Bi\n0.731461 0.149386 0.443740 Bi\n0.731461 0.649386 0.056260 Bi\n0.231461 0.350614 0.943740 Bi\n0.774528 0.731125 0.567819 Bi\n0.274528 0.268875 0.432181 Bi\n0.274528 0.768875 0.067819 Bi\n0.774528 0.231125 0.932181 Bi\n0.231359 0.616621 0.574382 Bi\n0.731359 0.383379 0.425618 Bi\n0.731359 0.883379 0.074382 Bi\n0.231359 0.116621 0.925618 Bi\n0.730228 0.503859 0.573677 Bi\n0.230228 0.496141 0.426323 Bi\n0.230228 0.996141 0.073677 Bi\n0.730228 0.003859 0.926323 Bi\n0.661134 0.400631 0.572246 O\n0.161134 0.599369 0.427754 O\n0.161134 0.099369 0.072246 O\n0.661134 0.900631 0.927754 O\n0.344449 0.292898 0.560152 O\n0.844449 0.707102 0.439848 O\n0.844449 0.207102 0.060152 O\n0.344449 0.792898 0.939848 O\n0.660553 0.179145 0.548660 O\n0.160553 0.820855 0.451340 O\n0.160553 0.320855 0.048660 O\n0.660553 0.679145 0.951340 O\n0.989575 0.062828 0.582944 O\n0.489575 0.937172 0.417056 O\n0.489575 0.437172 0.082944 O\n0.989575 0.562828 0.917056 O\n0.487263 0.060594 0.584831 O\n0.987263 0.939406 0.415169 O\n0.987263 0.439406 0.084831 O\n0.487263 0.560594 0.915169 O\n0.163939 0.942926 0.546061 O\n0.663939 0.057074 0.453939 O\n0.663939 0.557074 0.046061 O\n0.163939 0.442926 0.953939 O\n0.849629 0.828183 0.566073 O\n0.349629 0.171817 0.433927 O\n0.349629 0.671817 0.066073 O\n0.849629 0.328183 0.933927 O\n0.159445 0.719476 0.572915 O\n0.659445 0.280524 0.427085 O\n0.659445 0.780524 0.072915 O\n0.159445 0.219476 0.927085 O\n0.842718 0.610206 0.579221 O\n0.342718 0.389794 0.420779 O\n0.342718 0.889794 0.079221 O\n0.842718 0.110206 0.920779 O\n0.340789 0.509623 0.579270 O\n0.840789 0.490377 0.420730 O\n0.840789 0.990377 0.079270 O\n0.340789 0.009623 0.920730 O\n0.227296 0.385249 0.653952 O\n0.727296 0.614751 0.346048 O\n0.727296 0.114751 0.153952 O\n0.227296 0.885249 0.846048 O\n0.763520 0.266730 0.646760 O\n0.263520 0.733270 0.353240 O\n0.263520 0.233270 0.146760 O\n0.763520 0.766730 0.853240 O\n0.231991 0.156702 0.638634 O\n0.731991 0.843298 0.361366 O\n0.731991 0.343298 0.138634 O\n0.231991 0.656702 0.861366 O\n0.733013 0.967991 0.638221 O\n0.233013 0.032009 0.361779 O\n0.233013 0.532009 0.138221 O\n0.733013 0.467991 0.861779 O\n0.264410 0.857703 0.649423 O\n0.764410 0.142297 0.350577 O\n0.764410 0.642297 0.149423 O\n0.264410 0.357703 0.850577 O\n0.727502 0.734454 0.656571 O\n0.227502 0.265546 0.343429 O\n0.227502 0.765546 0.156571 O\n0.727502 0.234454 0.843429 O\n0.271109 0.618159 0.662722 O\n0.771109 0.381841 0.337278 O\n0.771109 0.881841 0.162722 O\n0.271109 0.118159 0.837278 O\n0.771617 0.502460 0.661674 O\n0.271617 0.497540 0.338326 O\n0.271617 0.997540 0.161674 O\n0.771617 0.002460 0.838326 O\n0.008656 0.437794 0.762562 O\n0.508656 0.562206 0.237438 O\n0.508656 0.062206 0.262562 O\n0.008656 0.937794 0.737438 O\n0.507379 0.433809 0.758383 O\n0.007379 0.566191 0.241617 O\n0.007379 0.066191 0.258383 O\n0.507379 0.933809 0.741617 O\n0.993083 0.313075 0.751180 O\n0.493083 0.686925 0.248820 O\n0.493083 0.186925 0.251180 O\n0.993083 0.813075 0.748820 O\n0.492592 0.309644 0.748419 O\n0.992592 0.690356 0.251581 O\n0.992592 0.190356 0.248419 O\n0.492592 0.809644 0.751581 O\n0.007500 0.188627 0.741359 O\n0.507500 0.811373 0.258641 O\n0.507500 0.311373 0.241359 O\n0.007500 0.688627 0.758641 O\n0.508386 0.184581 0.737483 O\n0.008386 0.815419 0.262517 O\n0.008386 0.315419 0.237483 O\n0.508386 0.684581 0.762517 O\n0.988832 0.063525 0.726089 O\n0.488832 0.936475 0.273911 O\n0.488832 0.436475 0.226089 O\n0.988832 0.563525 0.773911 O\n0.489693 0.058764 0.726037 O\n0.989693 0.941236 0.273963 O\n0.989693 0.441236 0.226037 O\n0.489693 0.558764 0.773963 O\n",
"nsites": 184,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O-Sr",
"density": 6.836023373341331,
"density_atomic": 0.06294431547547476,
"volume": 2923.218699100678,
"volume_molar": 9.567410042526287,
"formula_full": "Sr32 Mn16 Bi32 O104",
"formula_reduced": "Sr4Mn2Bi4O13",
"formula_anonymous": "A2B4C4D13",
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{
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0.554465 0.344444 Os\n0.660953 0.845733 0.346090 Os\n0.839047 0.345733 0.846090 Os\n0.339047 0.154267 0.653910 Os\n0.160953 0.654267 0.153910 Os\n0.502907 0.894499 0.248271 Os\n0.997093 0.394499 0.748271 Os\n0.497093 0.105501 0.751729 Os\n0.002907 0.605501 0.251729 Os\n0.648720 0.236623 0.333771 Os\n0.851280 0.736623 0.833771 Os\n0.351280 0.763377 0.666229 Os\n0.148720 0.263377 0.166229 Os\n0.550221 0.320601 0.173563 Os\n0.949779 0.820601 0.673563 Os\n0.449779 0.679399 0.826437 Os\n0.050221 0.179399 0.326437 Os\n0.608619 0.072941 0.257090 Pt\n0.891381 0.572941 0.757090 Pt\n0.391381 0.927059 0.742910 Pt\n0.108619 0.427059 0.242910 Pt\n0.619289 0.064264 0.054469 C\n0.880711 0.564264 0.554469 C\n0.380711 0.935736 0.945531 C\n0.119289 0.435736 0.445531 C\n0.706096 0.846563 0.094824 C\n0.793904 0.346563 0.594824 C\n0.293904 0.153437 0.905176 C\n0.206096 0.653437 0.405176 C\n0.767511 0.027760 0.145936 C\n0.732489 0.527760 0.645936 C\n0.232489 0.972240 0.854064 C\n0.267511 0.472240 0.354064 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C\n0.778318 0.872837 0.793789 C\n0.278318 0.627163 0.706211 C\n0.221682 0.127163 0.206211 C\n0.487564 0.352904 0.067954 C\n0.012436 0.852904 0.567954 C\n0.512436 0.647096 0.932046 C\n0.987564 0.147096 0.432046 C\n0.451106 0.266874 0.248785 C\n0.048894 0.766874 0.748785 C\n0.548894 0.733126 0.751215 C\n0.951106 0.233126 0.251215 C\n0.553310 0.475107 0.187007 C\n0.946690 0.975107 0.687007 C\n0.446690 0.524893 0.812993 C\n0.053310 0.024893 0.312993 C\n0.662315 0.335275 0.119120 C\n0.837685 0.835275 0.619120 C\n0.337685 0.664725 0.880880 C\n0.162315 0.164725 0.380880 C\n0.593508 0.137279 0.993087 O\n0.906492 0.637279 0.493087 O\n0.406492 0.862721 0.006913 O\n0.093508 0.362721 0.506913 O\n0.737659 0.790247 0.057921 O\n0.762341 0.290247 0.557921 O\n0.262341 0.209753 0.942079 O\n0.237659 0.709753 0.442079 O\n0.831185 0.079423 0.138041 O\n0.668815 0.579423 0.638041 O\n0.168815 0.920577 0.861959 O\n0.331185 0.420577 0.361959 O\n0.713375 0.582768 0.427602 O\n0.786625 0.082768 0.927602 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"elements": [
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"volume_molar": 9.949551561631038,
"formula_full": "H24 Os20 Pt4 C64 O64",
"formula_reduced": "H6Os5Pt(CO)16",
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"energy": -1380.79181469,
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"total_magnetization": 6.7e-06,
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"updated_at": "2021-11-28T01:37:18.878000Z",
"spacegroup": 14
},
{
"id": "mp-1203297",
"created_at": "2022-09-04T14:41:54.927348Z",
"structure_string": "Sc40 Ir8 Cl72\n1.0\n11.765517 0.000000 -0.000000\n-0.000000 11.765517 -0.000000\n-5.882758 -5.882758 20.984110\nSc Ir Cl\n40 8 72\ndirect\n0.480205 0.359207 0.311189 Sc\n0.830984 0.451982 0.311189 Sc\n0.859207 0.330984 0.811189 Sc\n0.951982 0.980205 0.811189 Sc\n0.519795 0.640793 0.688811 Sc\n0.169016 0.548018 0.688811 Sc\n0.140793 0.669016 0.188811 Sc\n0.048018 0.019795 0.188811 Sc\n0.104913 0.589543 0.323592 Sc\n0.218679 0.234049 0.323592 Sc\n0.089543 0.718679 0.823592 Sc\n0.734049 0.604913 0.823592 Sc\n0.895087 0.410457 0.676408 Sc\n0.781321 0.765951 0.676408 Sc\n0.910457 0.281321 0.176408 Sc\n0.265951 0.395087 0.176408 Sc\n0.393165 0.633241 0.308666 Sc\n0.915501 0.175425 0.308666 Sc\n0.133241 0.415501 0.808666 Sc\n0.675425 0.893165 0.808666 Sc\n0.606835 0.366759 0.691334 Sc\n0.084499 0.824575 0.691334 Sc\n0.866759 0.584499 0.191334 Sc\n0.324575 0.106835 0.191334 Sc\n0.354204 0.507987 0.423706 Sc\n0.069502 0.415719 0.423706 Sc\n0.007987 0.569502 0.923706 Sc\n0.915719 0.854204 0.923706 Sc\n0.645796 0.492013 0.576294 Sc\n0.930498 0.584281 0.576294 Sc\n0.992013 0.430498 0.076294 Sc\n0.084281 0.145796 0.076294 Sc\n0.567065 0.917527 0.434727 Sc\n0.867662 0.017200 0.434727 Sc\n0.417527 0.367662 0.934727 Sc\n0.517200 0.067065 0.934727 Sc\n0.432935 0.082473 0.565273 Sc\n0.132338 0.982800 0.565273 Sc\n0.582473 0.632338 0.065273 Sc\n0.482800 0.932935 0.065273 Sc\n0.273351 0.439827 0.301170 Ir\n0.027819 0.361343 0.301170 Ir\n0.939827 0.527819 0.801170 Ir\n0.861343 0.773351 0.801170 Ir\n0.726649 0.560173 0.698830 Ir\n0.972181 0.638657 0.698830 Ir\n0.060173 0.472181 0.198830 Ir\n0.138657 0.226649 0.198830 Ir\n0.460709 0.280940 0.189173 Cl\n0.728464 0.408233 0.189173 Cl\n0.780940 0.228464 0.689173 Cl\n0.908233 0.960709 0.689173 Cl\n0.539291 0.719060 0.810827 Cl\n0.271536 0.591767 0.810827 Cl\n0.219060 0.771536 0.310827 Cl\n0.091767 0.039291 0.310827 Cl\n0.179917 0.622966 0.451268 Cl\n0.271351 0.328302 0.451268 Cl\n0.122966 0.771351 0.951268 Cl\n0.828302 0.679917 0.951268 Cl\n0.820083 0.377034 0.548732 Cl\n0.728649 0.671698 0.548732 Cl\n0.877034 0.228649 0.048732 Cl\n0.171698 0.320083 0.048732 Cl\n0.551700 0.416243 0.436996 Cl\n0.885296 0.520752 0.436996 Cl\n0.916243 0.385296 0.936996 Cl\n0.020752 0.051700 0.936996 Cl\n0.448300 0.583757 0.563004 Cl\n0.114704 0.479248 0.563004 Cl\n0.083756 0.614704 0.063004 Cl\n0.979248 0.948300 0.063004 Cl\n0.426124 0.145644 0.312438 Cl\n0.886314 0.666795 0.312438 Cl\n0.645644 0.386314 0.812438 Cl\n0.166795 0.926124 0.812438 Cl\n0.573876 0.854356 0.687562 Cl\n0.113686 0.333205 0.687562 Cl\n0.354356 0.613686 0.187562 Cl\n0.833205 0.073876 0.187562 Cl\n0.507984 0.840237 0.320298 Cl\n0.812315 0.980061 0.320298 Cl\n0.340237 0.312315 0.820298 Cl\n0.480061 0.007984 0.820298 Cl\n0.492016 0.159763 0.679702 Cl\n0.187685 0.019939 0.679702 Cl\n0.659763 0.687685 0.179702 Cl\n0.519939 0.992016 0.179702 Cl\n0.463632 0.716125 0.432544 Cl\n0.968913 0.216419 0.432544 Cl\n0.216125 0.468913 0.932544 Cl\n0.716419 0.963632 0.932544 Cl\n0.536368 0.283875 0.567456 Cl\n0.031087 0.783581 0.567456 Cl\n0.783875 0.531087 0.067456 Cl\n0.283581 0.036368 0.067456 Cl\n0.599077 0.543227 0.315321 Cl\n0.716244 0.272094 0.315321 Cl\n0.043227 0.216244 0.815321 Cl\n0.772094 0.099077 0.815321 Cl\n0.400923 0.456773 0.684679 Cl\n0.283756 0.727906 0.684679 Cl\n0.956773 0.783756 0.184679 Cl\n0.227906 0.900923 0.184679 Cl\n0.387837 0.026607 0.443991 Cl\n0.056154 0.917385 0.443991 Cl\n0.526607 0.556154 0.943991 Cl\n0.417385 0.887837 0.943991 Cl\n0.612163 0.973393 0.556009 Cl\n0.943846 0.082615 0.556009 Cl\n0.473393 0.443846 0.056009 Cl\n0.582615 0.112163 0.056009 Cl\n0.765218 0.836539 0.440630 Cl\n0.675412 0.104091 0.440630 Cl\n0.336539 0.175412 0.940630 Cl\n0.604091 0.265218 0.940630 Cl\n0.234782 0.163461 0.559370 Cl\n0.324588 0.895909 0.559370 Cl\n0.663461 0.824588 0.059370 Cl\n0.395909 0.734782 0.059370 Cl\n",
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],
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"density": 3.3662604677757293,
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"volume": 2904.775584591563,
"volume_molar": 14.577472872184734,
"formula_full": "Sc40 Ir8 Cl72",
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"updated_at": "2021-11-28T01:35:32.385000Z",
"spacegroup": 88
}
]
}