{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=12123","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=12121","results":[{"id":"mp-680718","created_at":"2022-09-04T14:40:14.477316Z","structure_string":"Er16 B48 O96\n1.0\n7.415795 0.000000 0.000000\n0.000000 12.262170 0.000000\n0.000000 0.000000 15.963973\nEr B O\n16 48 96\ndirect\n0.750000 0.009530 0.121165 Er\n0.750000 0.435330 0.327332 Er\n0.250000 0.509530 0.378835 Er\n0.750000 0.765497 0.627849 Er\n0.250000 0.265497 0.872151 Er\n0.750000 0.490470 0.621165 Er\n0.250000 0.911414 0.548193 Er\n0.750000 0.411414 0.951807 Er\n0.250000 0.990470 0.878835 Er\n0.750000 0.734503 0.127849 Er\n0.750000 0.064670 0.827332 Er\n0.750000 0.088586 0.451807 Er\n0.250000 0.234503 0.372151 Er\n0.250000 0.588586 0.048193 Er\n0.250000 0.564670 0.672668 Er\n0.250000 0.935330 0.172668 Er\n0.076261 0.142821 0.109628 B\n0.931096 0.128550 0.258335 B\n0.421852 0.516556 0.847735 B\n0.060002 0.676993 0.532135 B\n0.573434 0.653935 0.943422 B\n0.431096 0.871450 0.741665 B\n0.421852 0.983444 0.347735 B\n0.070310 0.185245 0.717747 B\n0.060002 0.823007 0.032135 B\n0.570310 0.814755 0.282253 B\n0.070310 0.314755 0.217747 B\n0.073434 0.346065 0.056578 B\n0.426566 0.346065 0.056578 B\n0.439998 0.676993 0.532135 B\n0.429690 0.314755 0.217747 B\n0.926566 0.846065 0.443422 B\n0.931096 0.371450 0.758335 B\n0.423739 0.142821 0.109628 B\n0.426566 0.153935 0.556578 B\n0.078148 0.516556 0.847735 B\n0.078148 0.983444 0.347735 B\n0.576261 0.642821 0.390372 B\n0.439998 0.823007 0.032135 B\n0.929690 0.685245 0.782253 B\n0.921852 0.483444 0.152265 B\n0.939998 0.323007 0.467865 B\n0.560002 0.323007 0.467865 B\n0.923739 0.642821 0.390372 B\n0.939998 0.176993 0.967865 B\n0.431096 0.628550 0.241665 B\n0.076261 0.357179 0.609628 B\n0.570310 0.685245 0.782253 B\n0.068904 0.871450 0.741665 B\n0.568904 0.371450 0.758335 B\n0.429690 0.185245 0.717747 B\n0.573434 0.846065 0.443422 B\n0.560002 0.176993 0.967865 B\n0.568904 0.128550 0.258335 B\n0.578148 0.483444 0.152265 B\n0.929690 0.814755 0.282253 B\n0.068904 0.628550 0.241665 B\n0.578148 0.016556 0.652265 B\n0.073434 0.153935 0.556578 B\n0.423739 0.357179 0.609628 B\n0.923739 0.857179 0.890372 B\n0.921852 0.016556 0.652265 B\n0.576261 0.857179 0.890372 B\n0.926566 0.653935 0.943422 B\n0.060258 0.568380 0.930996 O\n0.534254 0.576764 0.314518 O\n0.250000 0.142874 0.745614 O\n0.926035 0.765437 0.371096 O\n0.565867 0.399565 0.218231 O\n0.933516 0.064619 0.336446 O\n0.457293 0.120889 0.903760 O\n0.034254 0.076764 0.185482 O\n0.065867 0.600435 0.781769 O\n0.566711 0.377800 0.548536 O\n0.477970 0.269753 0.777165 O\n0.976647 0.790335 0.522346 O\n0.957293 0.879111 0.096240 O\n0.750000 0.642874 0.754386 O\n0.934133 0.399565 0.218231 O\n0.965746 0.576764 0.314518 O\n0.750000 0.600651 0.951499 O\n0.542707 0.879111 0.096240 O\n0.957293 0.620889 0.596240 O\n0.042707 0.379111 0.403760 O\n0.939742 0.431620 0.069004 O\n0.534254 0.923236 0.814518 O\n0.939742 0.068380 0.569004 O\n0.522030 0.769753 0.722835 O\n0.933289 0.377800 0.548536 O\n0.476647 0.209665 0.477654 O\n0.934133 0.100435 0.718231 O\n0.250000 0.399349 0.048501 O\n0.426035 0.234563 0.628904 O\n0.022030 0.269753 0.777165 O\n0.250000 0.357126 0.245614 O\n0.977970 0.769753 0.722835 O\n0.523353 0.709665 0.022346 O\n0.933289 0.122200 0.048536 O\n0.750000 0.359935 0.723883 O\n0.566484 0.064619 0.336446 O\n0.439742 0.568380 0.930996 O\n0.926035 0.734563 0.871096 O\n0.250000 0.640065 0.276117 O\n0.542707 0.620889 0.596240 O\n0.433516 0.935381 0.663554 O\n0.523353 0.790335 0.522346 O\n0.750000 0.899349 0.451499 O\n0.250000 0.457236 0.841493 O\n0.023353 0.290335 0.977654 O\n0.465746 0.423236 0.685482 O\n0.023353 0.209665 0.477654 O\n0.250000 0.859935 0.776117 O\n0.476647 0.290335 0.977654 O\n0.066711 0.877800 0.951464 O\n0.933516 0.435381 0.836446 O\n0.042707 0.120889 0.903760 O\n0.573965 0.734563 0.871096 O\n0.965746 0.923236 0.814518 O\n0.750000 0.196320 0.933425 O\n0.022030 0.230247 0.277165 O\n0.560258 0.068380 0.569004 O\n0.250000 0.042764 0.341493 O\n0.433289 0.622200 0.451464 O\n0.065867 0.899565 0.281769 O\n0.750000 0.895358 0.922320 O\n0.560258 0.431620 0.069004 O\n0.465746 0.076764 0.185482 O\n0.250000 0.696320 0.566575 O\n0.250000 0.100651 0.548501 O\n0.439742 0.931620 0.430996 O\n0.250000 0.395358 0.577680 O\n0.066484 0.564619 0.163554 O\n0.477970 0.230247 0.277165 O\n0.034254 0.423236 0.685482 O\n0.750000 0.857126 0.254386 O\n0.426035 0.265437 0.128904 O\n0.073965 0.234563 0.628904 O\n0.750000 0.604642 0.422320 O\n0.073965 0.265437 0.128904 O\n0.566484 0.435381 0.836446 O\n0.250000 0.104642 0.077680 O\n0.066711 0.622200 0.451464 O\n0.565867 0.100435 0.718231 O\n0.566711 0.122200 0.048536 O\n0.250000 0.803680 0.066575 O\n0.522030 0.730247 0.222835 O\n0.433289 0.877800 0.951464 O\n0.750000 0.542764 0.158507 O\n0.434133 0.600435 0.781769 O\n0.750000 0.140065 0.223883 O\n0.750000 0.957236 0.658507 O\n0.457293 0.379111 0.403760 O\n0.434133 0.899565 0.281769 O\n0.976647 0.709665 0.022346 O\n0.066484 0.935381 0.663554 O\n0.750000 0.303680 0.433425 O\n0.433516 0.564619 0.163554 O\n0.573965 0.765437 0.371096 O\n0.977970 0.730247 0.222835 O\n0.060258 0.931620 0.430996 O\n","nsites":160,"nelements":3,"elements":["Er","B","O"],"chemical_system":"B-Er-O","density":5.4117451202770726,"density_atomic":0.110218361230316,"volume":1451.663753788342,"volume_molar":5.463827163439611,"formula_full":"Er16 B48 O96","formula_reduced":"Er(BO2)3","formula_anonymous":"AB3C6","energy":-1380.70219908,"energy_per_atom":-8.629388744249999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1314.7501990799997,"band_gap":5.550699999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0102599,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.449000Z","spacegroup":62},{"id":"mp-1196579","created_at":"2022-09-04T14:43:19.739640Z","structure_string":"Cs16 Cu8 Si40 O96\n1.0\n0.000000 -13.812456 0.000000\n-13.830897 0.000000 0.000000\n0.000000 0.000000 -13.872855\nCs Cu Si O\n16 8 40 96\ndirect\n0.870139 0.373339 0.647460 Cs\n0.629861 0.873339 0.352540 Cs\n0.370139 0.626661 0.852540 Cs\n0.129861 0.126661 0.147460 Cs\n0.129861 0.626661 0.352540 Cs\n0.370139 0.126661 0.647460 Cs\n0.629861 0.373339 0.147460 Cs\n0.870139 0.873339 0.852540 Cs\n0.613545 0.121841 0.885178 Cs\n0.886455 0.621841 0.114822 Cs\n0.113545 0.878159 0.614822 Cs\n0.386455 0.378159 0.385178 Cs\n0.386455 0.878159 0.114822 Cs\n0.113545 0.378159 0.885178 Cs\n0.886455 0.121841 0.385178 Cs\n0.613545 0.621841 0.614822 Cs\n0.160531 0.120476 0.431701 Cu\n0.339469 0.620476 0.568299 Cu\n0.660531 0.879524 0.068299 Cu\n0.839469 0.379524 0.931701 Cu\n0.839469 0.879524 0.568299 Cu\n0.660531 0.379524 0.431701 Cu\n0.339469 0.120476 0.931701 Cu\n0.160531 0.620476 0.068299 Cu\n0.324513 0.368481 0.094591 Si\n0.175487 0.868481 0.905409 Si\n0.824513 0.631519 0.405409 Si\n0.675487 0.131519 0.594591 Si\n0.675487 0.631519 0.905409 Si\n0.824513 0.131519 0.094591 Si\n0.175487 0.368481 0.594591 Si\n0.324513 0.868481 0.405409 Si\n0.878306 0.917222 0.135856 Si\n0.621694 0.417222 0.864144 Si\n0.378306 0.082778 0.364144 Si\n0.121694 0.582778 0.635856 Si\n0.121694 0.082778 0.864144 Si\n0.378306 0.582778 0.135856 Si\n0.621694 0.917222 0.635856 Si\n0.878306 0.417222 0.364144 Si\n0.409994 0.839694 0.611135 Si\n0.090006 0.339694 0.388865 Si\n0.909994 0.160306 0.888865 Si\n0.590006 0.660306 0.111135 Si\n0.590006 0.160306 0.388865 Si\n0.909994 0.660306 0.611135 Si\n0.090006 0.839694 0.111135 Si\n0.409994 0.339694 0.888865 Si\n0.620622 0.591666 0.321746 Si\n0.879378 0.091666 0.678254 Si\n0.120622 0.408334 0.178254 Si\n0.379378 0.908334 0.821746 Si\n0.379378 0.408334 0.678254 Si\n0.120622 0.908334 0.321746 Si\n0.879378 0.591666 0.821746 Si\n0.620622 0.091666 0.178254 Si\n0.091567 0.662935 0.850875 Si\n0.408433 0.162935 0.149125 Si\n0.591567 0.337065 0.649125 Si\n0.908433 0.837065 0.350875 Si\n0.908433 0.337065 0.149125 Si\n0.591567 0.837065 0.850875 Si\n0.408433 0.662935 0.350875 Si\n0.091567 0.162935 0.649125 Si\n0.632126 0.035897 0.648160 O\n0.867874 0.535897 0.351840 O\n0.132126 0.964103 0.851840 O\n0.367874 0.464103 0.148160 O\n0.367874 0.964103 0.351840 O\n0.132126 0.464103 0.648160 O\n0.867874 0.035897 0.148160 O\n0.632126 0.535897 0.851840 O\n0.511734 0.399775 0.906261 O\n0.988266 0.899775 0.093739 O\n0.011734 0.600225 0.593739 O\n0.488266 0.100225 0.406261 O\n0.488266 0.600225 0.093739 O\n0.011734 0.100225 0.906261 O\n0.988266 0.399775 0.406261 O\n0.511734 0.899775 0.593739 O\n0.837419 0.126780 0.978151 O\n0.662581 0.626780 0.021849 O\n0.337419 0.873220 0.521849 O\n0.162581 0.373220 0.478151 O\n0.162581 0.873220 0.021849 O\n0.337419 0.373220 0.978151 O\n0.662581 0.126780 0.478151 O\n0.837419 0.626780 0.521849 O\n0.575187 0.774440 0.118935 O\n0.924813 0.274440 0.881065 O\n0.075187 0.225560 0.381065 O\n0.424813 0.725560 0.618935 O\n0.424813 0.225560 0.881065 O\n0.075187 0.725560 0.118935 O\n0.924813 0.774440 0.618935 O\n0.575187 0.274440 0.381065 O\n0.290954 0.856218 0.883961 O\n0.209046 0.356218 0.116039 O\n0.790954 0.143782 0.616039 O\n0.709046 0.643782 0.383961 O\n0.709046 0.143782 0.116039 O\n0.790954 0.643782 0.883961 O\n0.209046 0.856218 0.383961 O\n0.290954 0.356218 0.616039 O\n0.369928 0.127572 0.255133 O\n0.130072 0.627572 0.744867 O\n0.869928 0.872428 0.244867 O\n0.630072 0.372428 0.755133 O\n0.630072 0.872428 0.744867 O\n0.869928 0.372428 0.255133 O\n0.130072 0.127572 0.755133 O\n0.369928 0.627572 0.244867 O\n0.107100 0.520801 0.158301 O\n0.392900 0.020801 0.841699 O\n0.607100 0.479199 0.341699 O\n0.892900 0.979199 0.658301 O\n0.892900 0.479199 0.841699 O\n0.607100 0.979199 0.158301 O\n0.392900 0.520801 0.658301 O\n0.107100 0.020801 0.341699 O\n0.027511 0.840580 0.353733 O\n0.472489 0.340580 0.646267 O\n0.527511 0.159420 0.146267 O\n0.972489 0.659420 0.853733 O\n0.972489 0.159420 0.646267 O\n0.527511 0.659420 0.353733 O\n0.472489 0.840580 0.853733 O\n0.027511 0.340580 0.146267 O\n0.356366 0.599412 0.431566 O\n0.143634 0.099412 0.568434 O\n0.856366 0.400588 0.068434 O\n0.643634 0.900588 0.931566 O\n0.643634 0.400588 0.568434 O\n0.856366 0.900588 0.431566 O\n0.143634 0.599412 0.931566 O\n0.356366 0.099412 0.068434 O\n0.116242 0.279459 0.643317 O\n0.383758 0.779459 0.356683 O\n0.616242 0.720541 0.856683 O\n0.883758 0.220541 0.143317 O\n0.883758 0.720541 0.356683 O\n0.616242 0.220541 0.643317 O\n0.383758 0.279459 0.143317 O\n0.116242 0.779459 0.856683 O\n0.800007 0.370286 0.434554 O\n0.699993 0.870286 0.565446 O\n0.300007 0.629714 0.065446 O\n0.199993 0.129714 0.934554 O\n0.199993 0.629714 0.565446 O\n0.300007 0.129714 0.434554 O\n0.699993 0.370286 0.934554 O\n0.800007 0.870286 0.065446 O\n0.856456 0.611562 0.706290 O\n0.643544 0.111562 0.293710 O\n0.356456 0.388438 0.793710 O\n0.143544 0.888438 0.206290 O\n0.143544 0.388438 0.293710 O\n0.356456 0.888438 0.706290 O\n0.643544 0.611562 0.206290 O\n0.856456 0.111562 0.793710 O\n","nsites":160,"nelements":4,"elements":["Cs","Cu","Si","O"],"chemical_system":"Cs-Cu-O-Si","density":3.3171398808657697,"density_atomic":0.06037162711371918,"volume":2650.251577593156,"volume_molar":9.975117531048781,"formula_full":"Cs16 Cu8 Si40 O96","formula_reduced":"Cs2CuSi5O12","formula_anonymous":"AB2C5D12","energy":-1198.06373425,"energy_per_atom":-7.487898339062499,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1132.11173425,"band_gap":0.1801000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0000007,"is_theoretical":false,"updated_at":"2021-11-28T01:36:13.334000Z","spacegroup":61},{"id":"mp-1020860","created_at":"2022-09-04T14:45:57.891305Z","structure_string":"Rb16 Mg8 Si40 O96\n1.0\n13.647153 0.000000 0.000000\n0.000000 13.724873 0.000000\n0.000000 0.000000 13.928722\nRb Mg Si O\n16 8 40 96\ndirect\n0.346732 0.638529 0.144325 Rb\n0.653268 0.138529 0.355675 Rb\n0.153268 0.361471 0.644325 Rb\n0.846732 0.861471 0.855675 Rb\n0.653268 0.361471 0.855675 Rb\n0.346732 0.861471 0.644325 Rb\n0.846732 0.638529 0.355675 Rb\n0.153268 0.138529 0.144325 Rb\n0.107949 0.896393 0.409766 Rb\n0.892051 0.396393 0.090234 Rb\n0.392051 0.103607 0.909766 Rb\n0.607949 0.603607 0.590234 Rb\n0.892051 0.103607 0.590234 Rb\n0.107949 0.603607 0.909766 Rb\n0.607949 0.896393 0.090234 Rb\n0.392051 0.396393 0.409766 Rb\n0.560253 0.874052 0.834285 Mg\n0.439747 0.374052 0.665715 Mg\n0.939747 0.125948 0.334285 Mg\n0.060253 0.625948 0.165715 Mg\n0.439747 0.125948 0.165715 Mg\n0.560253 0.625948 0.334285 Mg\n0.060253 0.874052 0.665715 Mg\n0.939747 0.374052 0.834285 Mg\n0.892888 0.622084 0.662881 Si\n0.107112 0.122084 0.837119 Si\n0.607112 0.377916 0.162881 Si\n0.392888 0.877916 0.337119 Si\n0.107112 0.377916 0.337119 Si\n0.892888 0.877916 0.162881 Si\n0.392888 0.622084 0.837119 Si\n0.607112 0.122084 0.662881 Si\n0.873749 0.096535 0.113406 Si\n0.126251 0.596535 0.386594 Si\n0.626251 0.903465 0.613406 Si\n0.373749 0.403465 0.886594 Si\n0.126251 0.903465 0.886594 Si\n0.873749 0.403465 0.613406 Si\n0.373749 0.096535 0.386594 Si\n0.626251 0.596535 0.113406 Si\n0.396144 0.151506 0.599595 Si\n0.603856 0.651506 0.900405 Si\n0.103856 0.848494 0.099595 Si\n0.896144 0.348494 0.400405 Si\n0.603856 0.848494 0.400405 Si\n0.396144 0.348494 0.099595 Si\n0.896144 0.151506 0.900405 Si\n0.103856 0.651506 0.599595 Si\n0.685110 0.411895 0.367953 Si\n0.314890 0.911895 0.132047 Si\n0.814890 0.588105 0.867953 Si\n0.185110 0.088105 0.632047 Si\n0.314890 0.588105 0.632047 Si\n0.685110 0.088105 0.867953 Si\n0.185110 0.411895 0.132047 Si\n0.814890 0.911895 0.367953 Si\n0.157245 0.324447 0.927479 Si\n0.842755 0.824447 0.572521 Si\n0.342755 0.675553 0.427479 Si\n0.657245 0.175553 0.072521 Si\n0.842755 0.675553 0.072521 Si\n0.157245 0.175553 0.427479 Si\n0.657245 0.324447 0.572521 Si\n0.342755 0.824447 0.927479 Si\n0.345117 0.978848 0.377567 O\n0.654883 0.478848 0.122433 O\n0.154883 0.021152 0.877567 O\n0.845117 0.521152 0.622433 O\n0.654883 0.021152 0.622433 O\n0.345117 0.521152 0.877567 O\n0.845117 0.978848 0.122433 O\n0.154883 0.478848 0.377567 O\n0.074006 0.611958 0.491870 O\n0.925994 0.111958 0.008130 O\n0.425994 0.388042 0.991870 O\n0.574006 0.888042 0.508130 O\n0.925994 0.388042 0.508130 O\n0.074006 0.888042 0.991870 O\n0.574006 0.611958 0.008130 O\n0.425994 0.111958 0.491870 O\n0.012059 0.881698 0.170979 O\n0.987941 0.381698 0.329021 O\n0.487941 0.118302 0.670979 O\n0.512059 0.618302 0.829021 O\n0.987941 0.118302 0.829021 O\n0.012059 0.618302 0.670979 O\n0.512059 0.881698 0.329021 O\n0.487941 0.381698 0.170979 O\n0.873998 0.234637 0.397983 O\n0.126002 0.734637 0.102017 O\n0.626002 0.765363 0.897983 O\n0.373998 0.265363 0.602017 O\n0.126002 0.765363 0.602017 O\n0.873998 0.265363 0.897983 O\n0.373998 0.234637 0.102017 O\n0.626002 0.734637 0.397983 O\n0.149020 0.147201 0.729945 O\n0.850980 0.647201 0.770055 O\n0.350980 0.852799 0.229945 O\n0.649020 0.352799 0.270055 O\n0.850980 0.852799 0.270055 O\n0.149020 0.352799 0.229945 O\n0.649020 0.147201 0.770055 O\n0.350980 0.647201 0.729945 O\n0.732609 0.847156 0.614234 O\n0.267391 0.347156 0.885766 O\n0.767391 0.152844 0.114234 O\n0.232609 0.652844 0.385766 O\n0.267391 0.152844 0.385766 O\n0.732609 0.652844 0.114234 O\n0.232609 0.847156 0.885766 O\n0.767391 0.347156 0.614234 O\n0.862535 0.483538 0.882223 O\n0.137465 0.983538 0.617777 O\n0.637465 0.516462 0.382223 O\n0.362535 0.016462 0.117777 O\n0.137465 0.516462 0.117777 O\n0.862535 0.016462 0.382223 O\n0.362535 0.483538 0.617777 O\n0.637465 0.983538 0.882223 O\n0.656399 0.165372 0.954276 O\n0.343601 0.665372 0.545724 O\n0.843601 0.834628 0.454276 O\n0.156399 0.334628 0.045724 O\n0.343601 0.834628 0.045724 O\n0.656399 0.334628 0.454276 O\n0.156399 0.165372 0.545724 O\n0.843601 0.665372 0.954276 O\n0.575876 0.389798 0.623322 O\n0.424124 0.889798 0.876678 O\n0.924124 0.610202 0.123322 O\n0.075876 0.110202 0.376678 O\n0.424124 0.610202 0.376678 O\n0.575876 0.110202 0.123322 O\n0.075876 0.389798 0.876678 O\n0.924124 0.889798 0.623322 O\n0.356896 0.705455 0.912627 O\n0.643104 0.205455 0.587373 O\n0.143104 0.294545 0.412627 O\n0.856896 0.794545 0.087373 O\n0.643104 0.294545 0.087373 O\n0.356896 0.794545 0.412627 O\n0.856896 0.705455 0.587373 O\n0.143104 0.205455 0.912627 O\n0.555231 0.634047 0.195788 O\n0.444769 0.134047 0.304212 O\n0.944769 0.365953 0.695788 O\n0.055231 0.865953 0.804212 O\n0.444769 0.365953 0.804212 O\n0.555231 0.865953 0.695788 O\n0.055231 0.634047 0.304212 O\n0.944769 0.134047 0.195788 O\n0.305733 0.418774 0.139123 O\n0.694267 0.918774 0.360877 O\n0.194267 0.581226 0.639123 O\n0.805733 0.081226 0.860877 O\n0.694267 0.581226 0.860877 O\n0.305733 0.081226 0.639123 O\n0.805733 0.418774 0.360877 O\n0.194267 0.918774 0.139123 O\n","nsites":160,"nelements":4,"elements":["Rb","Mg","Si","O"],"chemical_system":"Mg-O-Rb-Si","density":2.6867813983102242,"density_atomic":0.061327931546814714,"volume":2608.925427035867,"volume_molar":9.819572596220686,"formula_full":"Rb16 Mg8 Si40 O96","formula_reduced":"Rb2MgSi5O12","formula_anonymous":"AB2C5D12","energy":-1221.26007098,"energy_per_atom":-7.632875443624999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1155.30807098,"band_gap":4.4847,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0096734,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.247000Z","spacegroup":61},{"id":"mp-686372","created_at":"2022-09-04T14:46:18.215046Z","structure_string":"Na34 Pd30 F96\n1.0\n6.529708 -0.071681 -2.065721\n-0.948170 6.044373 -3.262108\n0.171506 1.232894 59.447929\nNa Pd F\n34 30 96\ndirect\n0.497589 0.237851 0.874299 Na\n0.491411 0.756502 0.874255 Na\n0.000239 0.500250 0.625063 Na\n0.001130 0.001662 0.562844 Na\n0.499403 0.240469 0.749832 Na\n0.500167 0.759333 0.750111 Na\n0.998885 0.498475 0.937085 Na\n0.996961 0.489648 0.873307 Na\n0.499839 0.240701 0.624950 Na\n0.500609 0.759895 0.625225 Na\n0.998933 0.998442 0.812212 Na\n0.999056 0.499731 0.812282 Na\n0.000770 0.501251 0.312812 Na\n0.999788 0.499718 0.749928 Na\n0.508742 0.243685 0.500718 Na\n0.502333 0.761795 0.500660 Na\n0.999958 -0.000004 0.687483 Na\n-0.000012 0.499851 0.687482 Na\n0.506242 0.241706 0.375250 Na\n0.494716 0.759127 0.374968 Na\n0.000945 0.500524 0.562756 Na\n0.002973 0.510404 0.501703 Na\n0.506009 0.242287 0.250344 Na\n0.500666 0.760040 0.250312 Na\n0.999291 0.506066 0.999811 Na\n0.001048 0.500846 0.437815 Na\n0.000537 0.500851 0.375179 Na\n0.493858 0.238841 0.124424 Na\n0.499190 0.758304 0.124867 Na\n0.000492 0.500351 0.250852 Na\n0.499269 0.240051 0.999764 Na\n0.499837 0.759400 0.000016 Na\n0.999665 0.493203 0.124131 Na\n0.999493 0.999100 0.062310 Na\n0.000973 0.002169 0.875300 Pd\n-0.000278 -0.000259 0.749926 Pd\n0.476580 0.741167 0.933551 Pd\n0.524127 0.259498 0.941585 Pd\n-0.000044 0.000184 0.625064 Pd\n0.476125 0.732977 0.808450 Pd\n0.524514 0.267472 0.816634 Pd\n-0.000585 0.998014 0.499735 Pd\n0.999403 0.998972 0.937315 Pd\n0.476587 0.733571 0.683523 Pd\n0.523891 0.266690 0.691541 Pd\n0.000189 0.000307 0.375076 Pd\n0.475787 0.732648 0.558457 Pd\n0.523511 0.267007 0.566483 Pd\n0.000263 0.000569 0.312593 Pd\n0.998407 -0.000589 0.249633 Pd\n0.475727 0.739363 0.433420 Pd\n0.523605 0.259910 0.441497 Pd\n0.001495 0.001844 0.125282 Pd\n0.475415 0.738461 0.308340 Pd\n0.523745 0.260925 0.316512 Pd\n-0.000086 0.998333 0.000003 Pd\n0.000631 0.001287 0.437855 Pd\n0.475667 0.733697 0.183456 Pd\n0.524238 0.266436 0.191496 Pd\n0.476589 0.726827 0.058536 Pd\n0.524274 0.273300 0.066582 Pd\n-0.000049 0.500709 0.187589 Pd\n0.999913 0.999837 0.187341 Pd\n-0.000276 0.498872 0.062257 Pd\n0.116844 0.723998 0.983204 F\n0.116314 0.138948 0.982183 F\n0.173202 0.721840 0.928632 F\n0.223575 0.245855 0.938944 F\n0.121899 0.143987 0.858788 F\n0.119118 0.727885 0.858972 F\n0.545254 0.898199 0.972982 F\n0.176348 0.712956 0.803434 F\n0.393687 0.574006 0.894232 F\n0.228707 0.253391 0.813594 F\n0.609096 0.425693 0.981170 F\n0.455183 0.104471 0.902356 F\n0.122802 0.145525 0.733877 F\n0.120534 0.727542 0.733765 F\n0.548512 0.894343 0.848082 F\n0.176217 0.712443 0.678282 F\n0.394338 0.573044 0.769131 F\n0.228732 0.252412 0.688379 F\n0.777140 0.754866 0.936247 F\n0.608517 0.430596 0.856276 F\n0.828142 0.279158 0.946622 F\n0.450354 0.105249 0.777245 F\n0.122924 0.145851 0.608958 F\n0.120645 0.727912 0.608829 F\n0.881868 0.276513 0.891665 F\n0.882558 0.861998 0.893108 F\n0.549773 0.894885 0.722826 F\n0.175419 0.711647 0.553120 F\n0.393996 0.572682 0.644086 F\n0.227766 0.252623 0.563383 F\n0.771902 0.747112 0.811526 F\n0.605874 0.427126 0.730869 F\n0.825347 0.288648 0.821968 F\n0.450351 0.105152 0.652181 F\n0.118147 0.723216 0.483319 F\n0.117822 0.138289 0.481942 F\n0.877151 0.854250 0.766062 F\n0.879484 0.272266 0.766193 F\n0.550162 0.894724 0.597792 F\n0.171767 0.720512 0.428385 F\n0.391921 0.569858 0.518854 F\n0.222855 0.245316 0.438763 F\n0.771265 0.747599 0.686622 F\n0.605343 0.426607 0.605777 F\n0.823320 0.287472 0.696695 F\n0.450314 0.105651 0.526873 F\n0.116650 0.724075 0.358553 F\n0.116768 0.137227 0.356847 F\n0.877060 0.854348 0.641094 F\n0.879268 0.272254 0.641205 F\n0.545227 0.895878 0.472662 F\n0.171233 0.719453 0.303302 F\n0.390840 0.570661 0.393818 F\n0.223401 0.246772 0.313854 F\n0.771541 0.746881 0.561496 F\n0.606460 0.426036 0.480795 F\n0.823114 0.287013 0.571542 F\n0.454918 0.104243 0.401993 F\n0.112643 0.718036 0.231903 F\n0.115354 0.138135 0.231715 F\n0.878195 0.856006 0.516272 F\n0.881028 0.272296 0.516058 F\n0.544748 0.894649 0.347781 F\n0.169027 0.712503 0.178183 F\n0.389266 0.571944 0.268673 F\n0.222914 0.254952 0.188925 F\n0.776348 0.753435 0.436088 F\n0.608415 0.428909 0.356051 F\n0.826999 0.278462 0.446386 F\n0.454284 0.103069 0.276988 F\n0.112916 0.719669 0.106823 F\n0.118351 0.145703 0.108501 F\n0.883429 0.863084 0.393212 F\n0.883393 0.276226 0.391511 F\n0.543173 0.894348 0.222970 F\n0.172566 0.706581 0.053455 F\n0.390306 0.573284 0.143742 F\n0.223766 0.262880 0.063947 F\n0.775843 0.752553 0.310962 F\n0.609631 0.430233 0.231254 F\n0.827711 0.279837 0.321530 F\n0.456845 0.103095 0.152044 F\n0.884093 0.862112 0.267950 F\n0.884109 0.275642 0.266623 F\n0.545608 0.894276 0.097981 F\n0.391306 0.569534 0.018930 F\n0.777118 0.745736 0.186051 F\n0.610861 0.429512 0.106305 F\n0.830959 0.287500 0.196797 F\n0.455290 0.108029 0.027236 F\n0.884515 0.859379 0.142835 F\n0.887472 0.282673 0.143428 F\n0.777100 0.737167 0.061198 F\n0.828415 0.293759 0.071666 F\n0.880571 0.855129 0.016655 F\n0.886092 0.279957 0.017939 F\n","nsites":160,"nelements":3,"elements":["Na","Pd","F"],"chemical_system":"F-Na-Pd","density":4.0571146375871,"density_atomic":0.06742214236474744,"volume":2373.107622929201,"volume_molar":8.931992589942908,"formula_full":"Na34 Pd30 F96","formula_reduced":"Na17Pd15F48","formula_anonymous":"A15B17C48","energy":-725.7551649699999,"energy_per_atom":-4.5359697810625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-681.40316497,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.5149181,"is_theoretical":true,"updated_at":"2021-11-28T01:37:33.300000Z","spacegroup":1},{"id":"mp-651347","created_at":"2022-09-04T14:46:53.480219Z","structure_string":"K24 Mo24 Se112\n1.0\n15.152618 -0.019296 0.000000\n-4.337823 14.518454 0.000000\n0.000000 0.000000 20.849484\nK Mo Se\n24 24 112\ndirect\n0.807554 0.556069 0.619130 K\n0.337697 0.584887 0.329568 K\n0.944233 0.686747 0.122642 K\n0.518485 0.518485 0.094395 K\n0.192446 0.443931 0.119130 K\n0.971031 0.475434 0.339701 K\n0.820289 0.063459 0.360564 K\n0.475434 0.971031 0.339701 K\n0.662303 0.415113 0.829568 K\n0.313253 0.055767 0.622642 K\n0.524566 0.028969 0.839701 K\n0.936541 0.179711 0.860564 K\n0.481515 0.481515 0.594395 K\n0.055767 0.313253 0.622642 K\n0.966425 0.966425 0.634640 K\n0.028969 0.524566 0.839701 K\n0.686747 0.944233 0.122642 K\n0.415113 0.662303 0.829568 K\n0.179711 0.936541 0.860564 K\n0.556069 0.807554 0.619130 K\n0.584887 0.337697 0.329568 K\n0.063459 0.820289 0.360564 K\n0.443931 0.192446 0.119130 K\n0.033575 0.033575 0.134640 K\n0.290553 0.177995 0.391725 Mo\n0.762815 0.255755 0.186526 Mo\n0.751657 0.636826 0.394010 Mo\n0.744245 0.237185 0.686526 Mo\n0.177995 0.290553 0.391725 Mo\n0.237185 0.744245 0.686526 Mo\n0.750226 0.750226 0.289374 Mo\n0.140962 0.767798 0.577371 Mo\n0.351964 0.749142 0.074100 Mo\n0.254796 0.254796 0.277472 Mo\n0.709447 0.822005 0.891725 Mo\n0.859038 0.232202 0.077371 Mo\n0.232202 0.859038 0.077371 Mo\n0.248343 0.363174 0.894010 Mo\n0.250858 0.648036 0.574100 Mo\n0.749142 0.351964 0.074100 Mo\n0.249774 0.249774 0.789374 Mo\n0.745204 0.745204 0.777472 Mo\n0.363174 0.248343 0.894010 Mo\n0.822005 0.709447 0.891725 Mo\n0.767798 0.140962 0.577371 Mo\n0.636826 0.751657 0.394010 Mo\n0.648036 0.250858 0.574100 Mo\n0.255755 0.762815 0.186526 Mo\n0.423822 0.423822 0.905154 Se\n0.190059 0.190059 0.898785 Se\n0.652176 0.652176 0.867272 Se\n0.123675 0.123675 0.725254 Se\n0.347824 0.347824 0.367272 Se\n0.690137 0.172222 0.470294 Se\n0.293478 0.426015 0.779543 Se\n0.379321 0.162549 0.285500 Se\n0.179512 0.446197 0.444828 Se\n0.132992 0.912807 0.510126 Se\n0.812109 0.431757 0.181383 Se\n0.524028 0.748495 0.049569 Se\n0.989173 0.799315 0.530391 Se\n0.738044 0.229913 0.814898 Se\n0.479372 0.479372 0.769024 Se\n0.078763 0.212111 0.296626 Se\n0.034226 0.331710 0.448758 Se\n0.314561 0.821338 0.585530 Se\n0.965774 0.668290 0.948758 Se\n0.649577 0.359139 0.672898 Se\n0.763473 0.763473 0.649010 Se\n0.145600 0.868789 0.681832 Se\n0.005022 0.512690 0.674739 Se\n0.403495 0.922065 0.051349 Se\n0.525661 0.225471 0.934183 Se\n0.573985 0.706522 0.279543 Se\n0.640861 0.350423 0.172898 Se\n0.234671 0.234671 0.497918 Se\n0.799315 0.989173 0.530391 Se\n0.656160 0.872025 0.299754 Se\n0.765329 0.765329 0.997918 Se\n0.010827 0.200685 0.030391 Se\n0.309863 0.827778 0.970294 Se\n0.475972 0.251505 0.549569 Se\n0.359139 0.649577 0.672898 Se\n0.620679 0.837451 0.785500 Se\n0.596505 0.077935 0.551349 Se\n0.343350 0.343350 0.996584 Se\n0.706522 0.573985 0.279543 Se\n0.939163 0.295509 0.183139 Se\n0.261956 0.770087 0.314898 Se\n0.178662 0.685439 0.085530 Se\n0.770087 0.261956 0.314898 Se\n0.087193 0.867008 0.010126 Se\n0.787889 0.921237 0.796626 Se\n0.809941 0.809941 0.398785 Se\n0.343840 0.127975 0.799754 Se\n0.912807 0.132992 0.510126 Se\n0.854400 0.131211 0.181832 Se\n0.060837 0.704491 0.683139 Se\n0.765542 0.765542 0.163337 Se\n0.668290 0.965774 0.948758 Se\n0.970720 0.970720 0.822272 Se\n0.921237 0.787889 0.796626 Se\n0.295509 0.939163 0.183139 Se\n0.225471 0.525661 0.934183 Se\n0.187891 0.568243 0.681383 Se\n0.553803 0.820488 0.944828 Se\n0.127975 0.343840 0.799754 Se\n0.876325 0.876325 0.225254 Se\n0.389420 0.634959 0.497100 Se\n0.774529 0.474339 0.434183 Se\n0.212111 0.078763 0.296626 Se\n0.350423 0.640861 0.172898 Se\n0.884815 0.621274 0.469770 Se\n0.922065 0.403495 0.051349 Se\n0.378726 0.115185 0.969770 Se\n0.837451 0.620679 0.785500 Se\n0.867008 0.087193 0.010126 Se\n0.426015 0.293478 0.779543 Se\n0.576178 0.576178 0.405154 Se\n0.331710 0.034226 0.448758 Se\n0.647393 0.145205 0.266803 Se\n0.512690 0.005022 0.674739 Se\n0.359727 0.359727 0.190315 Se\n0.229913 0.738044 0.814898 Se\n0.704491 0.060837 0.683139 Se\n0.200685 0.010827 0.030391 Se\n0.685439 0.178662 0.085530 Se\n0.854795 0.352607 0.766803 Se\n0.446197 0.179512 0.444828 Se\n0.821338 0.314561 0.585530 Se\n0.868789 0.145600 0.681832 Se\n0.634959 0.389420 0.497100 Se\n0.352607 0.854795 0.766803 Se\n0.234458 0.234458 0.663337 Se\n0.621274 0.884815 0.469770 Se\n0.656650 0.656650 0.496584 Se\n0.640273 0.640273 0.690315 Se\n0.236527 0.236527 0.149010 Se\n0.251505 0.475972 0.549569 Se\n0.474339 0.774529 0.434183 Se\n0.029280 0.029280 0.322272 Se\n0.487310 0.994978 0.174739 Se\n0.610580 0.365041 0.997100 Se\n0.431757 0.812109 0.181383 Se\n0.748495 0.524028 0.049569 Se\n0.520628 0.520628 0.269024 Se\n0.872025 0.656160 0.299754 Se\n0.115185 0.378726 0.969770 Se\n0.568243 0.187891 0.681383 Se\n0.145205 0.647393 0.266803 Se\n0.994978 0.487310 0.174739 Se\n0.172222 0.690137 0.470294 Se\n0.123683 0.123683 0.431695 Se\n0.131211 0.854400 0.181832 Se\n0.820488 0.553803 0.944828 Se\n0.827778 0.309863 0.970294 Se\n0.876317 0.876317 0.931695 Se\n0.077935 0.596505 0.551349 Se\n0.365041 0.610580 0.997100 Se\n0.162549 0.379321 0.285500 Se\n","nsites":160,"nelements":3,"elements":["K","Mo","Se"],"chemical_system":"K-Mo-Se","density":4.376606602308686,"density_atomic":0.03489650196673621,"volume":4584.986774677704,"volume_molar":17.25714733740471,"formula_full":"K24 Mo24 Se112","formula_reduced":"K3Mo3Se14","formula_anonymous":"A3B3C14","energy":-824.0272598399999,"energy_per_atom":-5.150170374,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-771.16325984,"band_gap":0.8907000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":7e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:37:41.414000Z","spacegroup":36},{"id":"mp-1199716","created_at":"2022-09-04T14:46:38.856390Z","structure_string":"Si8 H64 C8 N32 F48\n1.0\n7.620110 0.000000 0.000000\n0.000000 10.518487 0.000000\n0.000000 0.000000 17.952000\nSi H C N F\n8 64 8 32 48\ndirect\n0.111980 0.450997 0.133937 Si\n0.111980 0.049003 0.366063 Si\n0.388020 0.950997 0.866063 Si\n0.388020 0.549003 0.633937 Si\n0.888020 0.549003 0.866063 Si\n0.888020 0.950997 0.633937 Si\n0.611980 0.049003 0.133937 Si\n0.611980 0.450997 0.366063 Si\n0.522152 0.759865 0.163799 H\n0.522152 0.740135 0.336201 H\n0.977848 0.259865 0.836201 H\n0.977848 0.240135 0.663799 H\n0.477848 0.240135 0.836201 H\n0.477848 0.259865 0.663799 H\n0.022152 0.740135 0.163799 H\n0.022152 0.759865 0.336201 H\n0.475255 0.608757 0.198161 H\n0.475255 0.891243 0.301839 H\n0.024745 0.108757 0.801839 H\n0.024745 0.391243 0.698161 H\n0.524745 0.391243 0.801839 H\n0.524745 0.108757 0.698161 H\n0.975255 0.891243 0.198161 H\n0.975255 0.608757 0.301839 H\n0.632511 0.784695 0.045948 H\n0.632511 0.715305 0.454052 H\n0.867489 0.284695 0.954052 H\n0.867489 0.215305 0.545948 H\n0.367489 0.215305 0.954052 H\n0.367489 0.284695 0.545948 H\n0.132511 0.715305 0.045948 H\n0.132511 0.784695 0.454052 H\n0.692423 0.652343 0.993103 H\n0.692423 0.847657 0.506897 H\n0.807577 0.152343 0.006897 H\n0.807577 0.347657 0.493103 H\n0.307577 0.347657 0.006897 H\n0.307577 0.152343 0.493103 H\n0.192423 0.847657 0.993103 H\n0.192423 0.652343 0.506897 H\n0.730485 0.460145 0.055709 H\n0.730485 0.039855 0.444291 H\n0.769515 0.960145 0.944291 H\n0.769515 0.539855 0.555709 H\n0.269515 0.539855 0.944291 H\n0.269515 0.960145 0.555709 H\n0.230485 0.039855 0.055709 H\n0.230485 0.460145 0.444291 H\n0.497867 0.390590 0.171818 H\n0.497867 0.109410 0.328182 H\n0.002133 0.890590 0.828182 H\n0.002133 0.609410 0.671818 H\n0.502133 0.609410 0.828182 H\n0.502133 0.890590 0.671818 H\n0.997867 0.109410 0.171818 H\n0.997867 0.390590 0.328182 H\n0.684418 0.320962 0.142158 H\n0.684418 0.179038 0.357842 H\n0.815582 0.820962 0.857842 H\n0.815582 0.679038 0.642158 H\n0.315582 0.679038 0.857842 H\n0.315582 0.820962 0.642158 H\n0.184418 0.179038 0.142158 H\n0.184418 0.320962 0.357842 H\n0.695916 0.447459 0.200789 H\n0.695916 0.052541 0.299211 H\n0.804084 0.947459 0.799211 H\n0.804084 0.552541 0.700789 H\n0.304084 0.552541 0.799211 H\n0.304084 0.947459 0.700789 H\n0.195916 0.052541 0.200789 H\n0.195916 0.447459 0.299211 H\n0.609173 0.615251 0.099810 C\n0.609173 0.884749 0.400190 C\n0.890827 0.115251 0.900190 C\n0.890827 0.384749 0.599810 C\n0.390827 0.384749 0.900190 C\n0.390827 0.115251 0.599810 C\n0.109173 0.884749 0.099810 C\n0.109173 0.615251 0.400190 C\n0.548536 0.663912 0.163416 N\n0.548536 0.836088 0.336584 N\n0.951464 0.163912 0.836584 N\n0.951464 0.336088 0.663416 N\n0.451464 0.336088 0.836584 N\n0.451464 0.163912 0.663416 N\n0.048536 0.836088 0.163416 N\n0.048536 0.663912 0.336584 N\n0.650186 0.688650 0.042676 N\n0.650186 0.811350 0.457324 N\n0.849814 0.188650 0.957324 N\n0.849814 0.311350 0.542676 N\n0.349814 0.311350 0.957324 N\n0.349814 0.188650 0.542676 N\n0.150186 0.811350 0.042676 N\n0.150186 0.688650 0.457324 N\n0.631086 0.486887 0.091140 N\n0.631086 0.013113 0.408860 N\n0.868914 0.986887 0.908860 N\n0.868914 0.513113 0.591140 N\n0.368914 0.513113 0.908860 N\n0.368914 0.986887 0.591140 N\n0.131086 0.013113 0.091140 N\n0.131086 0.486887 0.408860 N\n0.626455 0.408921 0.155823 N\n0.626455 0.091079 0.344177 N\n0.873545 0.908921 0.844177 N\n0.873545 0.591079 0.655823 N\n0.373545 0.591079 0.844177 N\n0.373545 0.908921 0.655823 N\n0.126455 0.091079 0.155823 N\n0.126455 0.408921 0.344177 N\n0.224897 0.540667 0.070387 F\n0.224897 0.959333 0.429613 F\n0.275103 0.040667 0.929613 F\n0.275103 0.459333 0.570387 F\n0.775103 0.459333 0.929613 F\n0.775103 0.040667 0.570387 F\n0.724897 0.959333 0.070387 F\n0.724897 0.540667 0.429613 F\n0.976227 0.395548 0.066205 F\n0.976227 0.104452 0.433795 F\n0.523773 0.895548 0.933795 F\n0.523773 0.604452 0.566205 F\n0.023773 0.604452 0.933795 F\n0.023773 0.895548 0.566205 F\n0.476227 0.104452 0.066205 F\n0.476227 0.395548 0.433795 F\n0.258563 0.325426 0.116530 F\n0.258563 0.174574 0.383470 F\n0.241437 0.825426 0.883470 F\n0.241437 0.674574 0.616530 F\n0.741437 0.674574 0.883470 F\n0.741437 0.825426 0.616530 F\n0.758563 0.174574 0.116530 F\n0.758563 0.325426 0.383470 F\n0.255134 0.502992 0.203607 F\n0.255134 0.997008 0.296393 F\n0.244866 0.002992 0.796393 F\n0.244866 0.497008 0.703607 F\n0.744866 0.497008 0.796393 F\n0.744866 0.002992 0.703607 F\n0.755134 0.997008 0.203607 F\n0.755134 0.502992 0.296393 F\n0.007931 0.360002 0.198344 F\n0.007931 0.139998 0.301656 F\n0.492069 0.860002 0.801656 F\n0.492069 0.639998 0.698344 F\n0.992069 0.639998 0.801656 F\n0.992069 0.860002 0.698344 F\n0.507931 0.139998 0.198344 F\n0.507931 0.360002 0.301656 F\n0.974528 0.577201 0.152401 F\n0.974528 0.922799 0.347599 F\n0.525472 0.077201 0.847599 F\n0.525472 0.422799 0.652401 F\n0.025472 0.422799 0.847599 F\n0.025472 0.077201 0.652401 F\n0.474528 0.922799 0.152401 F\n0.474528 0.577201 0.347599 F\n","nsites":160,"nelements":5,"elements":["Si","H","C","N","F"],"chemical_system":"C-F-H-N-Si","density":2.0142834037055475,"density_atomic":0.11119688667663448,"volume":1438.8892061815288,"volume_molar":5.4157458360436435,"formula_full":"Si8 H64 C8 N32 F48","formula_reduced":"SiH8C(N2F3)2","formula_anonymous":"ABC4D6E8","energy":-930.11971893,"energy_per_atom":-5.8132482433125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-896.39171893,"band_gap":5.4037,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.803000Z","spacegroup":56},{"id":"mp-15126","created_at":"2022-09-04T14:46:54.927834Z","structure_string":"Cs16 Mn8 Si40 O96\n1.0\n-13.902242 -0.000000 0.000000\n0.000000 0.000000 -14.012652\n0.000000 -14.014982 0.000000\nCs Mn Si O\n16 8 40 96\ndirect\n0.373397 0.649251 0.864112 Cs\n0.873397 0.350749 0.635888 Cs\n0.626603 0.850749 0.364112 Cs\n0.126603 0.149251 0.135888 Cs\n0.626603 0.350749 0.135888 Cs\n0.126603 0.649251 0.364112 Cs\n0.373397 0.149251 0.635888 Cs\n0.873397 0.850749 0.864112 Cs\n0.122913 0.888020 0.609652 Cs\n0.622913 0.111980 0.890348 Cs\n0.877087 0.611980 0.109652 Cs\n0.377087 0.388020 0.390348 Cs\n0.877087 0.111980 0.390348 Cs\n0.377087 0.888020 0.109652 Cs\n0.122913 0.388020 0.890348 Cs\n0.622913 0.611980 0.609652 Cs\n0.121361 0.433418 0.164086 Mn\n0.621361 0.566582 0.335914 Mn\n0.878639 0.066582 0.664086 Mn\n0.378639 0.933418 0.835914 Mn\n0.878639 0.566582 0.835914 Mn\n0.378639 0.433418 0.664086 Mn\n0.121361 0.933418 0.335914 Mn\n0.621361 0.066582 0.164086 Mn\n0.372174 0.099846 0.332331 Si\n0.872174 0.900154 0.167669 Si\n0.627826 0.400154 0.832331 Si\n0.127826 0.599846 0.667669 Si\n0.627826 0.900154 0.667669 Si\n0.127826 0.099846 0.832331 Si\n0.372174 0.599846 0.167669 Si\n0.872174 0.400154 0.332331 Si\n0.912244 0.136026 0.886876 Si\n0.412244 0.863974 0.613124 Si\n0.087756 0.363974 0.386876 Si\n0.587756 0.636026 0.113124 Si\n0.087756 0.863974 0.113124 Si\n0.587756 0.136026 0.386876 Si\n0.912244 0.636026 0.613124 Si\n0.412244 0.363974 0.886876 Si\n0.847302 0.608194 0.403403 Si\n0.347302 0.391806 0.096597 Si\n0.152698 0.891806 0.903403 Si\n0.652698 0.108194 0.596597 Si\n0.152698 0.391806 0.596597 Si\n0.652698 0.608194 0.903403 Si\n0.847302 0.108194 0.096597 Si\n0.347302 0.891806 0.403403 Si\n0.594976 0.318346 0.628755 Si\n0.094976 0.681654 0.871245 Si\n0.405024 0.181654 0.128755 Si\n0.905024 0.818346 0.371245 Si\n0.405024 0.681654 0.371245 Si\n0.905024 0.318346 0.128755 Si\n0.594976 0.818346 0.871245 Si\n0.094976 0.181654 0.628755 Si\n0.668206 0.849142 0.078622 Si\n0.168206 0.150858 0.421378 Si\n0.331794 0.650858 0.578622 Si\n0.831794 0.349142 0.921378 Si\n0.331794 0.150858 0.921378 Si\n0.831794 0.849142 0.578622 Si\n0.668206 0.349142 0.421378 Si\n0.168206 0.650858 0.078622 Si\n0.030146 0.652420 0.628999 O\n0.530146 0.347580 0.871001 O\n0.969854 0.847580 0.128999 O\n0.469854 0.152420 0.371001 O\n0.969854 0.347580 0.371001 O\n0.469854 0.652420 0.128999 O\n0.030146 0.152420 0.871001 O\n0.530146 0.847580 0.628999 O\n0.403114 0.909879 0.505461 O\n0.903114 0.090121 0.994539 O\n0.596886 0.590121 0.005461 O\n0.096887 0.409879 0.494539 O\n0.596886 0.090121 0.494539 O\n0.096887 0.909879 0.005461 O\n0.403114 0.409879 0.994539 O\n0.903114 0.590121 0.505461 O\n0.119018 0.983231 0.834757 O\n0.619018 0.016769 0.665243 O\n0.880982 0.516769 0.334757 O\n0.380982 0.483231 0.165243 O\n0.880982 0.016769 0.165243 O\n0.380982 0.983231 0.334757 O\n0.119018 0.483231 0.665243 O\n0.619018 0.516769 0.834757 O\n0.766209 0.120307 0.586281 O\n0.266209 0.879693 0.913719 O\n0.233791 0.379693 0.086281 O\n0.733791 0.620307 0.413719 O\n0.233791 0.879693 0.413719 O\n0.733791 0.120307 0.086281 O\n0.766209 0.620307 0.913719 O\n0.266209 0.379693 0.586281 O\n0.850849 0.869020 0.278307 O\n0.350849 0.130980 0.221693 O\n0.149151 0.630980 0.778307 O\n0.649151 0.369020 0.721693 O\n0.149151 0.130980 0.721693 O\n0.649151 0.869020 0.778307 O\n0.850849 0.369020 0.221693 O\n0.350849 0.630980 0.278307 O\n0.137894 0.258145 0.385725 O\n0.637894 0.741855 0.114275 O\n0.862106 0.241855 0.885725 O\n0.362106 0.758145 0.614275 O\n0.862106 0.741855 0.614275 O\n0.362106 0.258145 0.885725 O\n0.137894 0.758145 0.114275 O\n0.637894 0.241855 0.385725 O\n0.512878 0.148905 0.111061 O\n0.012878 0.851095 0.388939 O\n0.487122 0.351095 0.611062 O\n0.987122 0.648905 0.888938 O\n0.487122 0.851095 0.888938 O\n0.987122 0.148905 0.611062 O\n0.512878 0.648905 0.388939 O\n0.012878 0.351095 0.111061 O\n0.833884 0.350047 0.039730 O\n0.333884 0.649953 0.460270 O\n0.166116 0.149953 0.539730 O\n0.666116 0.850047 0.960270 O\n0.166116 0.649953 0.960270 O\n0.666116 0.350047 0.539730 O\n0.833884 0.850047 0.460270 O\n0.333884 0.149953 0.039730 O\n0.601793 0.425540 0.368682 O\n0.101793 0.574460 0.131318 O\n0.398207 0.074460 0.868682 O\n0.898207 0.925540 0.631318 O\n0.398207 0.574460 0.631318 O\n0.898207 0.425540 0.868682 O\n0.601793 0.925540 0.131318 O\n0.101793 0.074460 0.368682 O\n0.284798 0.637607 0.099706 O\n0.784798 0.362393 0.400294 O\n0.715202 0.862393 0.599706 O\n0.215202 0.137607 0.900294 O\n0.715202 0.362393 0.900294 O\n0.215202 0.637607 0.599706 O\n0.284798 0.137607 0.400294 O\n0.784798 0.862393 0.099706 O\n0.363419 0.431148 0.809005 O\n0.863419 0.568852 0.690995 O\n0.636581 0.068852 0.309005 O\n0.136581 0.931148 0.190995 O\n0.636581 0.568852 0.190995 O\n0.136581 0.431148 0.309005 O\n0.363419 0.931148 0.690995 O\n0.863419 0.068852 0.809005 O\n0.601451 0.701697 0.851684 O\n0.101451 0.298303 0.648316 O\n0.398549 0.798303 0.351684 O\n0.898549 0.201697 0.148316 O\n0.398549 0.298303 0.148316 O\n0.898549 0.701697 0.351684 O\n0.601451 0.201697 0.648316 O\n0.101451 0.798303 0.851684 O\n","nsites":160,"nelements":4,"elements":["Cs","Mn","Si","O"],"chemical_system":"Cs-Mn-O-Si","density":3.178096568751881,"density_atomic":0.058603325026929394,"volume":2730.2205109774372,"volume_molar":10.27610763934078,"formula_full":"Cs16 Mn8 Si40 O96","formula_reduced":"Cs2MnSi5O12","formula_anonymous":"AB2C5D12","energy":-1263.55478547,"energy_per_atom":-7.8972174091875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1184.25878547,"band_gap":2.4585,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":40.0000039,"is_theoretical":false,"updated_at":"2021-11-28T01:37:45.269000Z","spacegroup":61},{"id":"mp-28578","created_at":"2022-09-04T14:46:25.359972Z","structure_string":"Cs8 I24 F128\n1.0\n14.400903 -0.000000 -0.000000\n0.000000 14.400903 0.000000\n0.000000 0.000000 14.400903\nCs I F\n8 24 128\ndirect\n0.000000 -0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.500000 0.500000 Cs\n0.500000 -0.000000 0.000000 Cs\n-0.000000 -0.000000 0.500000 Cs\n-0.000000 0.500000 0.000000 Cs\n0.500000 -0.000000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n0.249352 0.467884 0.253702 I\n0.250648 0.753702 0.032116 I\n0.250648 0.246298 0.967884 I\n0.246298 0.032116 0.749352 I\n0.753702 0.032116 0.250648 I\n0.967884 0.250648 0.246298 I\n0.032116 0.749352 0.246298 I\n0.253702 0.249352 0.467884 I\n0.467884 0.253702 0.249352 I\n0.532116 0.746298 0.249352 I\n0.253702 0.750648 0.532116 I\n0.532116 0.253702 0.750648 I\n0.746298 0.750648 0.467884 I\n0.746298 0.249352 0.532116 I\n0.467884 0.746298 0.750648 I\n0.249352 0.532116 0.746298 I\n0.750648 0.467884 0.746298 I\n0.750648 0.532116 0.253702 I\n0.032116 0.250648 0.753702 I\n0.967884 0.749352 0.753702 I\n0.246298 0.967884 0.250648 I\n0.753702 0.967884 0.749352 I\n0.749352 0.246298 0.032116 I\n0.749352 0.753702 0.967884 I\n0.267911 0.594245 0.229196 F\n0.232089 0.729196 0.905755 F\n0.232089 0.270804 0.094245 F\n0.270804 0.905755 0.767911 F\n0.729196 0.905755 0.232089 F\n0.094245 0.232089 0.270804 F\n0.905755 0.767911 0.270804 F\n0.229196 0.267911 0.594245 F\n0.594245 0.229196 0.267911 F\n0.405755 0.770804 0.267911 F\n0.229196 0.732089 0.405755 F\n0.405755 0.229196 0.732089 F\n0.770804 0.732089 0.594245 F\n0.770804 0.267911 0.405755 F\n0.594245 0.770804 0.732089 F\n0.267911 0.405755 0.770804 F\n0.732089 0.594245 0.770804 F\n0.732089 0.405755 0.229196 F\n0.905755 0.232089 0.729196 F\n0.094245 0.767911 0.729196 F\n0.270804 0.094245 0.232089 F\n0.729196 0.094245 0.767911 F\n0.767911 0.270804 0.905755 F\n0.767911 0.729196 0.094245 F\n0.364422 0.456946 0.184431 F\n0.135578 0.684431 0.043054 F\n0.135578 0.315569 0.956946 F\n0.315569 0.043054 0.864422 F\n0.684431 0.043054 0.135578 F\n0.956946 0.135578 0.315569 F\n0.043054 0.864422 0.315569 F\n0.184431 0.364422 0.456946 F\n0.456946 0.184431 0.364422 F\n0.543054 0.815569 0.364422 F\n0.184431 0.635578 0.543054 F\n0.543054 0.184431 0.635578 F\n0.815569 0.635578 0.456946 F\n0.815569 0.364422 0.543054 F\n0.456946 0.815569 0.635578 F\n0.364422 0.543054 0.815569 F\n0.635578 0.456946 0.815569 F\n0.635578 0.543054 0.184431 F\n0.043054 0.135578 0.684431 F\n0.956946 0.864422 0.684431 F\n0.315569 0.956946 0.135578 F\n0.684431 0.956946 0.864422 F\n0.864422 0.315569 0.043054 F\n0.864422 0.684431 0.956946 F\n0.138546 0.516091 0.315145 F\n0.361454 0.815145 0.983909 F\n0.361454 0.184855 0.016091 F\n0.184855 0.983909 0.638546 F\n0.815145 0.983909 0.361454 F\n0.016091 0.361454 0.184855 F\n0.983909 0.638546 0.184855 F\n0.315145 0.138546 0.516091 F\n0.516091 0.315145 0.138546 F\n0.483909 0.684855 0.138546 F\n0.315145 0.861454 0.483909 F\n0.483909 0.315145 0.861454 F\n0.684855 0.861454 0.516091 F\n0.684855 0.138546 0.483909 F\n0.516091 0.684855 0.861454 F\n0.138546 0.483909 0.684855 F\n0.861454 0.516091 0.684855 F\n0.861454 0.483909 0.315145 F\n0.983909 0.361454 0.815145 F\n0.016091 0.638546 0.815145 F\n0.184855 0.016091 0.361454 F\n0.815145 0.016091 0.638546 F\n0.638546 0.184855 0.983909 F\n0.638546 0.815145 0.016091 F\n0.320040 0.500502 0.362549 F\n0.179960 0.862549 0.999498 F\n0.179960 0.137451 0.000502 F\n0.137451 0.999498 0.820040 F\n0.862549 0.999498 0.179960 F\n0.000502 0.179960 0.137451 F\n0.999498 0.820040 0.137451 F\n0.362549 0.320040 0.500502 F\n0.500502 0.362549 0.320040 F\n0.499498 0.637451 0.320040 F\n0.362549 0.679960 0.499498 F\n0.499498 0.362549 0.679960 F\n0.637451 0.679960 0.500502 F\n0.637451 0.320040 0.499498 F\n0.500502 0.637451 0.679960 F\n0.320040 0.499498 0.637451 F\n0.679960 0.500502 0.637451 F\n0.679960 0.499498 0.362549 F\n0.999498 0.179960 0.862549 F\n0.000502 0.820040 0.862549 F\n0.137451 0.000502 0.179960 F\n0.862549 0.000502 0.820040 F\n0.820040 0.137451 0.999498 F\n0.820040 0.862549 0.000502 F\n0.184151 0.476373 0.135331 F\n0.315849 0.635331 0.023627 F\n0.315849 0.364669 0.976373 F\n0.364669 0.023627 0.684151 F\n0.635331 0.023627 0.315849 F\n0.976373 0.315849 0.364669 F\n0.023627 0.684151 0.364669 F\n0.135331 0.184151 0.476373 F\n0.476373 0.135331 0.184151 F\n0.523627 0.864669 0.184151 F\n0.135331 0.815849 0.523627 F\n0.523627 0.135331 0.815849 F\n0.864669 0.815849 0.476373 F\n0.864669 0.184151 0.523627 F\n0.476373 0.864669 0.815849 F\n0.184151 0.523627 0.864669 F\n0.815849 0.476373 0.864669 F\n0.815849 0.523627 0.135331 F\n0.023627 0.315849 0.635331 F\n0.976373 0.684151 0.635331 F\n0.364669 0.976373 0.315849 F\n0.635331 0.976373 0.684151 F\n0.684151 0.364669 0.023627 F\n0.684151 0.635331 0.976373 F\n0.691728 0.308272 0.691728 F\n0.808272 0.191728 0.191728 F\n0.808272 0.808272 0.808272 F\n0.191728 0.191728 0.808272 F\n0.691728 0.691728 0.308272 F\n0.308272 0.691728 0.691728 F\n0.308272 0.308272 0.308272 F\n0.191728 0.808272 0.191728 F\n","nsites":160,"nelements":3,"elements":["Cs","I","F"],"chemical_system":"Cs-F-I","density":3.6366980183067925,"density_atomic":0.053573597103885075,"volume":2986.545773466405,"volume_molar":11.240874396248604,"formula_full":"Cs8 I24 F128","formula_reduced":"CsI3F16","formula_anonymous":"AB3C16","energy":-626.9255651999999,"energy_per_atom":-3.9182847825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-567.7895652,"band_gap":4.2435,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0015935,"is_theoretical":false,"updated_at":"2021-11-28T01:37:36.492000Z","spacegroup":218},{"id":"mp-1195883","created_at":"2022-09-04T14:47:40.425057Z","structure_string":"Rb16 Mn8 Si40 O96\n1.0\n-13.627353 0.000000 0.000000\n0.000000 0.000000 -13.861931\n0.000000 -13.980793 0.000000\nRb Mn Si O\n16 8 40 96\ndirect\n0.372054 0.651629 0.861539 Rb\n0.872054 0.348371 0.638461 Rb\n0.627946 0.848371 0.361539 Rb\n0.127946 0.151629 0.138461 Rb\n0.627946 0.348371 0.138461 Rb\n0.127946 0.651629 0.361539 Rb\n0.372054 0.151629 0.638461 Rb\n0.872054 0.848371 0.861539 Rb\n0.118059 0.893871 0.602897 Rb\n0.618059 0.106129 0.897103 Rb\n0.881941 0.606129 0.102897 Rb\n0.381941 0.393871 0.397103 Rb\n0.881941 0.106129 0.397103 Rb\n0.381941 0.893871 0.102897 Rb\n0.118059 0.393871 0.897103 Rb\n0.618059 0.606129 0.602897 Rb\n0.126467 0.440675 0.167979 Mn\n0.626467 0.559325 0.332021 Mn\n0.873533 0.059325 0.667979 Mn\n0.373533 0.940675 0.832021 Mn\n0.873533 0.559325 0.832021 Mn\n0.373533 0.440675 0.667979 Mn\n0.126467 0.940675 0.332021 Mn\n0.626467 0.059325 0.167979 Mn\n0.373473 0.103173 0.333073 Si\n0.873473 0.896827 0.166927 Si\n0.626527 0.396827 0.833073 Si\n0.126527 0.603173 0.666927 Si\n0.626527 0.896827 0.666927 Si\n0.126527 0.103173 0.833073 Si\n0.373473 0.603173 0.166927 Si\n0.873473 0.396827 0.333073 Si\n0.909568 0.132095 0.885806 Si\n0.409568 0.867905 0.614194 Si\n0.090432 0.367905 0.385806 Si\n0.590432 0.632095 0.114194 Si\n0.090432 0.867905 0.114194 Si\n0.590432 0.132095 0.385806 Si\n0.909568 0.632095 0.614194 Si\n0.409568 0.367905 0.885806 Si\n0.850500 0.605685 0.404268 Si\n0.350500 0.394315 0.095732 Si\n0.149500 0.894315 0.904268 Si\n0.649500 0.105685 0.595732 Si\n0.149500 0.394315 0.595732 Si\n0.649500 0.605685 0.904268 Si\n0.850500 0.105685 0.095732 Si\n0.350500 0.894315 0.404268 Si\n0.595264 0.316652 0.635067 Si\n0.095264 0.683348 0.864933 Si\n0.404736 0.183348 0.135067 Si\n0.904736 0.816652 0.364933 Si\n0.404736 0.683348 0.364933 Si\n0.904736 0.316652 0.135067 Si\n0.595264 0.816652 0.864933 Si\n0.095264 0.183348 0.635067 Si\n0.671547 0.843034 0.075826 Si\n0.171547 0.156966 0.424174 Si\n0.328453 0.656966 0.575826 Si\n0.828453 0.343034 0.924174 Si\n0.328453 0.156966 0.924174 Si\n0.828453 0.843034 0.575826 Si\n0.671547 0.343034 0.424174 Si\n0.171547 0.656966 0.075826 Si\n0.025569 0.660265 0.639013 O\n0.525569 0.339735 0.860987 O\n0.974431 0.839735 0.139013 O\n0.474431 0.160265 0.360987 O\n0.974431 0.339735 0.360987 O\n0.474431 0.660265 0.139013 O\n0.025569 0.160265 0.860987 O\n0.525569 0.839735 0.639013 O\n0.413789 0.907580 0.503450 O\n0.913789 0.092420 0.996550 O\n0.586211 0.592420 0.003450 O\n0.086211 0.407580 0.496550 O\n0.586211 0.092420 0.496550 O\n0.086211 0.907580 0.003450 O\n0.413789 0.407580 0.996550 O\n0.913789 0.592420 0.503450 O\n0.115110 0.986221 0.835499 O\n0.615110 0.013779 0.664501 O\n0.884890 0.513779 0.335499 O\n0.384890 0.486221 0.164501 O\n0.884890 0.013779 0.164501 O\n0.384890 0.986221 0.335499 O\n0.115110 0.486221 0.664501 O\n0.615110 0.513779 0.835499 O\n0.765287 0.113276 0.579907 O\n0.265287 0.886724 0.920093 O\n0.234713 0.386724 0.079907 O\n0.734713 0.613276 0.420093 O\n0.234713 0.886724 0.420093 O\n0.734713 0.113276 0.079907 O\n0.765287 0.613276 0.920093 O\n0.265287 0.386724 0.579907 O\n0.841650 0.866871 0.275903 O\n0.341650 0.133129 0.224097 O\n0.158350 0.633129 0.775903 O\n0.658350 0.366871 0.724097 O\n0.158350 0.133129 0.724097 O\n0.658350 0.866871 0.775903 O\n0.841650 0.366871 0.224097 O\n0.341650 0.633129 0.275903 O\n0.152824 0.266668 0.384208 O\n0.652824 0.733332 0.115792 O\n0.847176 0.233332 0.884208 O\n0.347176 0.766668 0.615792 O\n0.847176 0.733332 0.615792 O\n0.347176 0.266668 0.884208 O\n0.152824 0.766668 0.115792 O\n0.652824 0.233332 0.384208 O\n0.515487 0.148488 0.125972 O\n0.015487 0.851512 0.374028 O\n0.484513 0.351512 0.625973 O\n0.984513 0.648488 0.874027 O\n0.484513 0.851512 0.874027 O\n0.984513 0.148488 0.625973 O\n0.515487 0.648488 0.374028 O\n0.015487 0.351512 0.125972 O\n0.837190 0.345721 0.041743 O\n0.337190 0.654279 0.458257 O\n0.162810 0.154279 0.541743 O\n0.662810 0.845721 0.958257 O\n0.162810 0.654279 0.958257 O\n0.662810 0.345721 0.541743 O\n0.837190 0.845721 0.458257 O\n0.337190 0.154279 0.041743 O\n0.602245 0.418096 0.370229 O\n0.102245 0.581904 0.129771 O\n0.397755 0.081904 0.870229 O\n0.897755 0.918096 0.629771 O\n0.397755 0.581904 0.629771 O\n0.897755 0.418096 0.870229 O\n0.602245 0.918096 0.129771 O\n0.102245 0.081904 0.370229 O\n0.291215 0.639226 0.090291 O\n0.791215 0.360774 0.409709 O\n0.708785 0.860774 0.590291 O\n0.208785 0.139226 0.909709 O\n0.708785 0.360774 0.909709 O\n0.208785 0.639226 0.590291 O\n0.291215 0.139226 0.409709 O\n0.791215 0.860774 0.090291 O\n0.362203 0.444561 0.814272 O\n0.862203 0.555439 0.685728 O\n0.637797 0.055439 0.314272 O\n0.137797 0.944561 0.185728 O\n0.637797 0.555439 0.185728 O\n0.137797 0.444561 0.314272 O\n0.362203 0.944561 0.685728 O\n0.862203 0.055439 0.814272 O\n0.601655 0.698960 0.846809 O\n0.101655 0.301040 0.653191 O\n0.398345 0.801040 0.346809 O\n0.898345 0.198960 0.153191 O\n0.398345 0.301040 0.153191 O\n0.898345 0.698960 0.346809 O\n0.601655 0.198960 0.653191 O\n0.101655 0.801040 0.846809 O\n","nsites":160,"nelements":4,"elements":["Rb","Mn","Si","O"],"chemical_system":"Mn-O-Rb-Si","density":2.808244764642186,"density_atomic":0.06058330174815928,"volume":2640.991748272639,"volume_molar":9.9402650338102,"formula_full":"Rb16 Mn8 Si40 O96","formula_reduced":"Rb2MnSi5O12","formula_anonymous":"AB2C5D12","energy":-1263.29743287,"energy_per_atom":-7.8956089554375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1184.00143287,"band_gap":3.1643,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":39.9999983,"is_theoretical":false,"updated_at":"2021-11-28T01:38:15.105000Z","spacegroup":61},{"id":"mp-707833","created_at":"2022-09-04T14:47:11.626192Z","structure_string":"H4 Ru24 C64 N4 O64\n1.0\n10.355049 0.000000 0.000000\n0.000000 15.484178 0.000000\n0.000000 2.418189 16.272299\nH Ru C N O\n4 24 64 4 64\ndirect\n0.300861 0.221285 0.640392 H\n0.199139 0.721285 0.140392 H\n0.699139 0.778715 0.359608 H\n0.800861 0.278715 0.859608 H\n0.300976 0.136844 0.574305 Ru\n0.199024 0.636844 0.074305 Ru\n0.699024 0.863156 0.425695 Ru\n0.800976 0.363156 0.925695 Ru\n0.473390 0.286104 0.505849 Ru\n0.026610 0.786104 0.005849 Ru\n0.526610 0.713896 0.494151 Ru\n0.973390 0.213896 0.994151 Ru\n0.228927 0.321084 0.588220 Ru\n0.271073 0.821084 0.088220 Ru\n0.771073 0.678916 0.411780 Ru\n0.728927 0.178916 0.911780 Ru\n0.330498 0.189200 0.389759 Ru\n0.169502 0.689200 0.889759 Ru\n0.669502 0.810800 0.610241 Ru\n0.830498 0.310800 0.110241 Ru\n0.088613 0.220661 0.479022 Ru\n0.411387 0.720661 0.979022 Ru\n0.911387 0.779339 0.520978 Ru\n0.588613 0.279339 0.020978 Ru\n0.271869 0.364368 0.405499 Ru\n0.228131 0.864368 0.905499 Ru\n0.728131 0.635632 0.594501 Ru\n0.771869 0.135632 0.094501 Ru\n0.282311 0.251226 0.489538 C\n0.217689 0.751226 0.989538 C\n0.717689 0.748774 0.510462 C\n0.782311 0.248774 0.010462 C\n0.191615 0.069886 0.656846 C\n0.308385 0.569886 0.156846 C\n0.808385 0.930114 0.343154 C\n0.691615 0.430114 0.843154 C\n0.315750 0.038432 0.514379 C\n0.184250 0.538432 0.014379 C\n0.684250 0.961568 0.485621 C\n0.815750 0.461568 0.985621 C\n0.465769 0.113184 0.627339 C\n0.034231 0.613184 0.127339 C\n0.534231 0.886816 0.372661 C\n0.965769 0.386816 0.872661 C\n0.624273 0.249789 0.456969 C\n0.875727 0.749789 0.956969 C\n0.375727 0.750211 0.543031 C\n0.124273 0.250211 0.043031 C\n0.580307 0.324033 0.587452 C\n0.919693 0.824033 0.087452 C\n0.419693 0.675967 0.412548 C\n0.080307 0.175967 0.912548 C\n0.460627 0.402620 0.430054 C\n0.039373 0.902620 0.930054 C\n0.539373 0.597380 0.569946 C\n0.960627 0.097380 0.069946 C\n0.077759 0.309309 0.657205 C\n0.422241 0.809309 0.157205 C\n0.922241 0.690691 0.342795 C\n0.577759 0.190691 0.842795 C\n0.182262 0.439135 0.542130 C\n0.317738 0.939135 0.042130 C\n0.817738 0.560865 0.457870 C\n0.682262 0.060865 0.957870 C\n0.334739 0.364535 0.670133 C\n0.165261 0.864535 0.170133 C\n0.665261 0.635465 0.329867 C\n0.834739 0.135465 0.829867 C\n0.241473 0.131158 0.313180 C\n0.258527 0.631158 0.813180 C\n0.758527 0.868842 0.686820 C\n0.741473 0.368842 0.186820 C\n0.482923 0.142717 0.350781 C\n0.017077 0.642717 0.850781 C\n0.517077 0.857283 0.649219 C\n0.982923 0.357283 0.149219 C\n0.336666 0.303250 0.309103 C\n0.163334 0.803250 0.809103 C\n0.663334 0.696750 0.690897 C\n0.836666 0.196750 0.190897 C\n0.036911 0.120024 0.434229 C\n0.463089 0.620024 0.934229 C\n0.963089 0.879976 0.565771 C\n0.536911 0.379976 0.065771 C\n0.949362 0.198250 0.555371 C\n0.550638 0.698250 0.055371 C\n0.050638 0.801750 0.444629 C\n0.449362 0.301750 0.944629 C\n0.997849 0.304453 0.402172 C\n0.502151 0.804453 0.902172 C\n0.002151 0.695547 0.597828 C\n0.497849 0.195547 0.097828 C\n0.198598 0.459959 0.350190 N\n0.301402 0.959959 0.850190 N\n0.801402 0.540041 0.649810 N\n0.698598 0.040041 0.149810 N\n0.127550 0.032070 0.707410 O\n0.372450 0.532070 0.207410 O\n0.872450 0.967930 0.292590 O\n0.627550 0.467930 0.792590 O\n0.325644 0.970679 0.492102 O\n0.174356 0.470679 0.992102 O\n0.674356 0.029321 0.507898 O\n0.825644 0.529321 0.007898 O\n0.558978 0.091351 0.663648 O\n0.941022 0.591351 0.163648 O\n0.441022 0.908649 0.336352 O\n0.058978 0.408649 0.836352 O\n0.719793 0.230021 0.427336 O\n0.780207 0.730021 0.927336 O\n0.280207 0.769979 0.572664 O\n0.219793 0.269979 0.072664 O\n0.648082 0.345512 0.637060 O\n0.851918 0.845512 0.137060 O\n0.351918 0.654488 0.362940 O\n0.148082 0.154488 0.862940 O\n0.524520 0.465140 0.408561 O\n0.975480 0.965140 0.908561 O\n0.475480 0.534860 0.591439 O\n0.024520 0.034860 0.091439 O\n0.990002 0.304486 0.701203 O\n0.509998 0.804486 0.201203 O\n0.009998 0.695514 0.298797 O\n0.490002 0.195514 0.798797 O\n0.150882 0.512033 0.528187 O\n0.349118 0.012033 0.028187 O\n0.849118 0.487967 0.471813 O\n0.650882 0.987967 0.971813 O\n0.390955 0.388506 0.723131 O\n0.109045 0.888506 0.223131 O\n0.609045 0.611494 0.276869 O\n0.890955 0.111494 0.776869 O\n0.188134 0.098596 0.263608 O\n0.311866 0.598596 0.763608 O\n0.811866 0.901404 0.736392 O\n0.688134 0.401404 0.236392 O\n0.574012 0.112341 0.324646 O\n0.925988 0.612341 0.824646 O\n0.425988 0.887659 0.675354 O\n0.074012 0.387659 0.175354 O\n0.363709 0.326390 0.239436 O\n0.136291 0.826390 0.739436 O\n0.636291 0.673610 0.760564 O\n0.863709 0.173610 0.260564 O\n0.998168 0.056427 0.413385 O\n0.501832 0.556427 0.913385 O\n0.001832 0.943573 0.586615 O\n0.498168 0.443573 0.086615 O\n0.861233 0.181021 0.598097 O\n0.638767 0.681021 0.098097 O\n0.138767 0.818979 0.401903 O\n0.361233 0.318979 0.901903 O\n0.933158 0.348851 0.355872 O\n0.566842 0.848851 0.855872 O\n0.066842 0.651149 0.644128 O\n0.433158 0.151149 0.144128 O\n0.128949 0.516784 0.322408 O\n0.371051 0.016784 0.822408 O\n0.871051 0.483216 0.677592 O\n0.628949 0.983216 0.177592 O\n","nsites":160,"nelements":5,"elements":["H","Ru","C","N","O"],"chemical_system":"C-H-N-O-Ru","density":2.722950379080998,"density_atomic":0.061324039325298785,"volume":2609.0910148835087,"volume_molar":9.82019584204984,"formula_full":"H4 Ru24 C64 N4 O64","formula_reduced":"HRu6C16NO16","formula_anonymous":"ABC6D16E16","energy":-1311.11190604,"energy_per_atom":-8.19444941275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1265.69990604,"band_gap":2.0175,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0040939,"is_theoretical":false,"updated_at":"2021-11-28T01:38:01.924000Z","spacegroup":14},{"id":"mp-651768","created_at":"2022-09-04T14:46:11.004340Z","structure_string":"Cs8 Xe24 O24 F104\n1.0\n14.378188 0.000000 0.000000\n0.000000 14.378188 0.000000\n0.000000 0.000000 14.378188\nCs Xe O F\n8 24 24 104\ndirect\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Cs\n0.000000 0.500000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n0.500000 0.000000 0.000000 Cs\n0.000000 0.000000 0.500000 Cs\n0.500000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.023872 0.744617 0.251284 Xe\n0.748716 0.976128 0.255383 Xe\n0.748716 0.523872 0.755383 Xe\n0.744617 0.251284 0.023872 Xe\n0.248716 0.976128 0.244617 Xe\n0.976128 0.255383 0.748716 Xe\n0.523872 0.755383 0.748716 Xe\n0.244617 0.251284 0.476128 Xe\n0.744617 0.248716 0.523872 Xe\n0.476128 0.255383 0.751284 Xe\n0.251284 0.476128 0.244617 Xe\n0.755383 0.751284 0.023872 Xe\n0.255383 0.751284 0.476128 Xe\n0.476128 0.244617 0.251284 Xe\n0.751284 0.023872 0.755383 Xe\n0.244617 0.248716 0.976128 Xe\n0.251284 0.023872 0.744617 Xe\n0.023872 0.755383 0.751284 Xe\n0.755383 0.748716 0.523872 Xe\n0.255383 0.748716 0.976128 Xe\n0.751284 0.476128 0.255383 Xe\n0.976128 0.244617 0.248716 Xe\n0.248716 0.523872 0.744617 Xe\n0.523872 0.744617 0.248716 Xe\n0.100392 0.255852 0.778934 O\n0.255852 0.721066 0.600392 O\n0.755852 0.721066 0.899608 O\n0.221066 0.899608 0.744148 O\n0.600392 0.244148 0.221066 O\n0.399608 0.744148 0.278934 O\n0.278934 0.100392 0.244148 O\n0.278934 0.399608 0.744148 O\n0.600392 0.255852 0.721066 O\n0.721066 0.899608 0.755852 O\n0.778934 0.100392 0.255852 O\n0.221066 0.600392 0.244148 O\n0.244148 0.221066 0.600392 O\n0.100392 0.244148 0.278934 O\n0.255852 0.778934 0.100392 O\n0.899608 0.755852 0.721066 O\n0.755852 0.778934 0.399608 O\n0.744148 0.221066 0.899608 O\n0.778934 0.399608 0.755852 O\n0.744148 0.278934 0.399608 O\n0.899608 0.744148 0.221066 O\n0.399608 0.755852 0.778934 O\n0.244148 0.278934 0.100392 O\n0.721066 0.600392 0.255852 O\n0.502366 0.313379 0.372390 F\n0.678502 0.456556 0.134792 F\n0.489951 0.120308 0.320162 F\n0.956556 0.134792 0.821498 F\n0.678502 0.043444 0.634792 F\n0.372390 0.502366 0.313379 F\n0.456556 0.365208 0.178502 F\n0.632292 0.052583 0.828583 F\n0.620308 0.320162 0.010049 F\n0.052583 0.671417 0.132292 F\n0.043444 0.865208 0.178502 F\n0.956556 0.365208 0.321498 F\n0.120308 0.320162 0.489951 F\n0.305991 0.305991 0.305991 F\n0.828583 0.867708 0.552583 F\n0.510049 0.879692 0.679838 F\n0.447417 0.171417 0.132292 F\n0.620308 0.179838 0.510049 F\n0.947417 0.171417 0.367708 F\n0.552583 0.828583 0.867708 F\n0.194009 0.694009 0.805991 F\n0.828583 0.632292 0.052583 F\n0.186621 0.872390 0.502366 F\n0.171417 0.132292 0.447417 F\n0.867708 0.552583 0.828583 F\n0.313379 0.372390 0.502366 F\n0.052583 0.828583 0.632292 F\n0.947417 0.328583 0.867708 F\n0.120308 0.179838 0.989951 F\n0.497634 0.813379 0.127610 F\n0.867708 0.947417 0.328583 F\n0.813379 0.372390 0.997634 F\n0.821498 0.543444 0.634792 F\n0.805991 0.305991 0.194009 F\n0.879692 0.679838 0.510049 F\n0.872390 0.997634 0.686621 F\n0.694009 0.805991 0.194009 F\n0.543444 0.865208 0.321498 F\n0.002366 0.186621 0.627610 F\n0.171417 0.367708 0.947417 F\n0.997634 0.813379 0.372390 F\n0.497634 0.686621 0.627610 F\n0.305991 0.194009 0.805991 F\n0.634792 0.821498 0.543444 F\n0.632292 0.447417 0.328583 F\n0.194009 0.805991 0.305991 F\n0.686621 0.627610 0.497634 F\n0.367708 0.552583 0.671417 F\n0.865208 0.321498 0.543444 F\n0.679838 0.510049 0.879692 F\n0.627610 0.497634 0.686621 F\n0.820162 0.010049 0.879692 F\n0.002366 0.313379 0.127610 F\n0.989951 0.120308 0.179838 F\n0.679838 0.989951 0.379692 F\n0.367708 0.947417 0.171417 F\n0.627610 0.002366 0.186621 F\n0.686621 0.872390 0.997634 F\n0.456556 0.134792 0.678502 F\n0.872390 0.502366 0.186621 F\n0.989951 0.379692 0.679838 F\n0.127610 0.497634 0.813379 F\n0.328583 0.867708 0.947417 F\n0.865208 0.178502 0.043444 F\n0.821498 0.956556 0.134792 F\n0.694009 0.694009 0.694009 F\n0.043444 0.634792 0.678502 F\n0.447417 0.328583 0.632292 F\n0.132292 0.447417 0.171417 F\n0.127610 0.002366 0.313379 F\n0.379692 0.679838 0.989951 F\n0.879692 0.820162 0.010049 F\n0.134792 0.678502 0.456556 F\n0.502366 0.186621 0.872390 F\n0.543444 0.634792 0.821498 F\n0.132292 0.052583 0.671417 F\n0.178502 0.456556 0.365208 F\n0.372390 0.997634 0.813379 F\n0.179838 0.510049 0.620308 F\n0.320162 0.489951 0.120308 F\n0.634792 0.678502 0.043444 F\n0.010049 0.620308 0.320162 F\n0.813379 0.127610 0.497634 F\n0.365208 0.178502 0.456556 F\n0.178502 0.043444 0.865208 F\n0.321498 0.543444 0.865208 F\n0.010049 0.879692 0.820162 F\n0.671417 0.367708 0.552583 F\n0.510049 0.620308 0.179838 F\n0.805991 0.194009 0.694009 F\n0.997634 0.686621 0.872390 F\n0.379692 0.820162 0.489951 F\n0.186621 0.627610 0.002366 F\n0.328583 0.632292 0.447417 F\n0.820162 0.489951 0.379692 F\n0.552583 0.671417 0.367708 F\n0.320162 0.010049 0.620308 F\n0.313379 0.127610 0.002366 F\n0.321498 0.956556 0.365208 F\n0.365208 0.321498 0.956556 F\n0.179838 0.989951 0.120308 F\n0.134792 0.821498 0.956556 F\n0.489951 0.379692 0.820162 F\n0.671417 0.132292 0.052583 F\n","nsites":160,"nelements":4,"elements":["Cs","Xe","O","F"],"chemical_system":"Cs-F-O-Xe","density":3.6725913691780785,"density_atomic":0.053827908939889604,"volume":2972.435733639111,"volume_molar":11.18776649251787,"formula_full":"Cs8 Xe24 O24 F104","formula_reduced":"CsXe3O3F13","formula_anonymous":"AB3C3D13","energy":-451.2768903,"energy_per_atom":-2.820480564375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-386.7408903,"band_gap":2.7343,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0032851,"is_theoretical":false,"updated_at":"2021-11-28T01:37:24.760000Z","spacegroup":205},{"id":"mp-849805","created_at":"2022-09-04T14:46:10.892198Z","structure_string":"B48 H84 C16 S8 I4\n1.0\n14.101530 0.000000 0.000000\n0.000000 9.832462 0.000000\n0.000000 5.522135 12.554002\nB H C S I\n48 84 16 8 4\ndirect\n0.811349 0.314015 0.732269 B\n0.118203 0.647322 0.384792 B\n0.069772 0.749002 0.256733 B\n0.237385 0.708952 0.379115 B\n0.156978 0.866538 0.171349 B\n0.262619 0.841716 0.248274 B\n0.043570 0.804398 0.361070 B\n0.149009 0.780238 0.438037 B\n0.067171 0.940460 0.228766 B\n0.238720 0.900432 0.352947 B\n0.311349 0.685985 0.767731 B\n0.188134 0.998612 0.223991 B\n0.618911 0.042560 0.159886 B\n0.381797 0.647322 0.884792 B\n0.118911 0.957440 0.340114 B\n0.688134 0.001388 0.276009 B\n0.430228 0.749002 0.756733 B\n0.738720 0.099568 0.147053 B\n0.262615 0.708952 0.879115 B\n0.567171 0.059540 0.271234 B\n0.343022 0.866538 0.671349 B\n0.649009 0.219762 0.061963 B\n0.237381 0.841716 0.748274 B\n0.543570 0.195602 0.138930 B\n0.456430 0.804398 0.861070 B\n0.762619 0.158284 0.251726 B\n0.350991 0.780238 0.938037 B\n0.656978 0.133462 0.328651 B\n0.432829 0.940460 0.728766 B\n0.737385 0.291048 0.120885 B\n0.261280 0.900432 0.852947 B\n0.569772 0.250998 0.243267 B\n0.311866 0.998612 0.723991 B\n0.881089 0.042560 0.659886 B\n0.618203 0.352678 0.115208 B\n0.381089 0.957440 0.840114 B\n0.811866 0.001388 0.776009 B\n0.688651 0.314015 0.232269 B\n0.761280 0.099568 0.647053 B\n0.932829 0.059540 0.771234 B\n0.850991 0.219762 0.561963 B\n0.956430 0.195602 0.638930 B\n0.737381 0.158284 0.751726 B\n0.843022 0.133462 0.828651 B\n0.762615 0.291048 0.620885 B\n0.930228 0.250998 0.743267 B\n0.881797 0.352678 0.615208 B\n0.188651 0.685985 0.267731 B\n0.842808 0.104507 0.922121 H\n0.071495 0.100843 0.919666 H\n0.267600 0.169104 0.901973 H\n0.368950 0.291801 0.721084 H\n0.993790 0.188659 0.981810 H\n0.114640 0.246596 0.957692 H\n0.350318 0.246891 0.966658 H\n0.906991 0.476403 0.559868 H\n0.646769 0.246660 0.968797 H\n0.115908 0.444084 0.643209 H\n0.450731 0.364965 0.789035 H\n0.184894 0.397580 0.761394 H\n0.788737 0.411545 0.758605 H\n0.505201 0.738205 0.282778 H\n0.855883 0.747958 0.278502 H\n0.340509 0.852711 0.210828 H\n0.288737 0.588455 0.741395 H\n0.966919 0.794086 0.400562 H\n0.684894 0.602420 0.738606 H\n0.950731 0.635035 0.710965 H\n0.615908 0.555916 0.856791 H\n0.146769 0.753340 0.531203 H\n0.406991 0.523597 0.940132 H\n0.850318 0.753109 0.533342 H\n0.614640 0.753404 0.542308 H\n0.711396 0.876842 0.332012 H\n0.319399 0.053575 0.027920 H\n0.493790 0.811341 0.518190 H\n0.798010 0.045808 0.111200 H\n0.005990 0.021752 0.176648 H\n0.868950 0.708199 0.778916 H\n0.505990 0.978248 0.323352 H\n0.767600 0.830896 0.598027 H\n0.298010 0.954192 0.388800 H\n0.994799 0.738205 0.782778 H\n0.644117 0.747958 0.778502 H\n0.819399 0.946425 0.472080 H\n0.211396 0.123158 0.167988 H\n0.571495 0.899157 0.580334 H\n0.342808 0.895493 0.577879 H\n0.159491 0.852711 0.710828 H\n0.466919 0.205914 0.099438 H\n0.533081 0.794086 0.900562 H\n0.840509 0.147289 0.289172 H\n0.657192 0.104507 0.422121 H\n0.428505 0.100843 0.419666 H\n0.788604 0.876842 0.832012 H\n0.180601 0.053575 0.527920 H\n0.355883 0.252042 0.221498 H\n0.005201 0.261795 0.217222 H\n0.701990 0.045808 0.611200 H\n0.232400 0.169104 0.401973 H\n0.494010 0.021752 0.676648 H\n0.131050 0.291801 0.221084 H\n0.994010 0.978248 0.823352 H\n0.201990 0.954192 0.888800 H\n0.506210 0.188659 0.481810 H\n0.680601 0.946425 0.972080 H\n0.288604 0.123158 0.667988 H\n0.385360 0.246596 0.457692 H\n0.149682 0.246891 0.466658 H\n0.593009 0.476403 0.059868 H\n0.853231 0.246660 0.468797 H\n0.384092 0.444084 0.143209 H\n0.049269 0.364965 0.289035 H\n0.315106 0.397580 0.261394 H\n0.033081 0.205914 0.599438 H\n0.711263 0.411545 0.258605 H\n0.659491 0.147289 0.789172 H\n0.144117 0.252042 0.721498 H\n0.494799 0.261795 0.717222 H\n0.211263 0.588455 0.241395 H\n0.815106 0.602420 0.238606 H\n0.549269 0.635035 0.210965 H\n0.884092 0.555916 0.356791 H\n0.353231 0.753340 0.031203 H\n0.093009 0.523597 0.440132 H\n0.649682 0.753109 0.033342 H\n0.885360 0.753404 0.042308 H\n0.006210 0.811341 0.018190 H\n0.631050 0.708199 0.278916 H\n0.732400 0.830896 0.098027 H\n0.928505 0.899157 0.080334 H\n0.157192 0.895493 0.077879 H\n0.331017 0.148801 0.952083 C\n0.435849 0.273213 0.765454 C\n0.054136 0.204102 0.928014 C\n0.127861 0.359477 0.723930 C\n0.627861 0.640523 0.776070 C\n0.554136 0.795898 0.571986 C\n0.935849 0.726787 0.734546 C\n0.831017 0.851199 0.547917 C\n0.168983 0.148801 0.452083 C\n0.064151 0.273213 0.265454 C\n0.445864 0.204102 0.428014 C\n0.372139 0.359477 0.223930 C\n0.872139 0.640523 0.276070 C\n0.945864 0.795898 0.071986 C\n0.564151 0.726787 0.234546 C\n0.668983 0.851199 0.047917 C\n0.021001 0.344647 0.800054 S\n0.571127 0.894737 0.115048 S\n0.521001 0.655353 0.699946 S\n0.928873 0.894737 0.615048 S\n0.071127 0.105263 0.384952 S\n0.478999 0.344647 0.300054 S\n0.428873 0.105263 0.884952 S\n0.978999 0.655353 0.199946 S\n0.349652 0.557609 0.477326 I\n0.150348 0.557609 0.977326 I\n0.849652 0.442391 0.022674 I\n0.650348 0.442391 0.522674 I\n","nsites":160,"nelements":5,"elements":["B","H","C","S","I"],"chemical_system":"B-C-H-I-S","density":1.4881142467214188,"density_atomic":0.0919198436213007,"volume":1740.6469995660761,"volume_molar":6.551513278036606,"formula_full":"B48 H84 C16 S8 I4","formula_reduced":"B12H21C4S2I","formula_anonymous":"AB2C4D12E21","energy":-830.90657831,"energy_per_atom":-5.1931661144375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-825.36657831,"band_gap":4.1333,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:17.463000Z","spacegroup":14}]}