{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=12135","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=12133","results":[{"id":"mp-978563","created_at":"2022-09-04T14:43:22.362004Z","structure_string":"Sm1 Ho1 In2\n1.0\n0.000000 3.789840 3.789840\n3.789840 0.000000 3.789840\n3.789840 3.789840 0.000000\nSm Ho In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n","nsites":4,"nelements":3,"elements":["Sm","Ho","In"],"chemical_system":"Ho-In-Sm","density":8.311784236091205,"density_atomic":0.036742387230470464,"volume":108.8660890461358,"volume_molar":16.390172805663095,"formula_full":"Sm1 Ho1 In2","formula_reduced":"SmHoIn2","formula_anonymous":"ABC2","energy":-16.66361813,"energy_per_atom":-4.1659045325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.66361813,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000336,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.317000Z","spacegroup":225},{"id":"mp-1248625","created_at":"2022-09-04T14:43:22.391715Z","structure_string":"Mg2 Mn2 Si4 O12\n1.0\n5.316563 0.182125 1.291942\n1.545995 6.680599 0.579734\n0.247974 -0.089965 6.876641\nMg Mn Si O\n2 2 4 12\ndirect\n0.749984 0.241669 0.758352 Mg\n0.250007 0.758354 0.241645 Mg\n0.749994 0.895306 0.104708 Mn\n0.249979 0.104623 0.895343 Mn\n0.209549 0.211985 0.384199 Si\n0.290456 0.615797 0.788009 Si\n0.709547 0.384213 0.211988 Si\n0.790459 0.788022 0.615789 Si\n0.426936 0.346483 0.352806 O\n0.073075 0.647221 0.653506 O\n0.573087 0.653512 0.647197 O\n0.926947 0.352805 0.346471 O\n0.128390 0.143435 0.618306 O\n0.371573 0.381686 0.856565 O\n0.871605 0.856562 0.381691 O\n0.628407 0.618308 0.143445 O\n0.832445 0.216658 0.030379 O\n0.667537 0.969629 0.783343 O\n0.332464 0.030386 0.216648 O\n0.167557 0.783350 0.969611 O\n","nsites":20,"nelements":4,"elements":["Mg","Mn","Si","O"],"chemical_system":"Mg-Mn-O-Si","density":3.198344057342943,"density_atomic":0.08323253567437228,"volume":240.2906488184536,"volume_molar":7.235320552482277,"formula_full":"Mg2 Mn2 Si4 O12","formula_reduced":"MgMn(SiO3)2","formula_anonymous":"ABC2D6","energy":-162.4440208,"energy_per_atom":-8.12220104,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.8640208,"band_gap":3.4018,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.7e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.700000Z","spacegroup":15},{"id":"mp-766032","created_at":"2022-09-04T14:43:22.397024Z","structure_string":"Li8 Ni4 C8 O24\n1.0\n-2.140049 0.044005 4.720043\n4.332298 -0.012174 4.763019\n0.156440 15.516131 -0.091105\nLi Ni C O\n8 4 8 24\ndirect\n0.339138 0.263833 0.462061 Li\n0.339164 0.263882 0.962083 Li\n0.151897 0.248614 0.211992 Li\n0.151842 0.248589 0.712038 Li\n0.822299 0.799123 0.282045 Li\n0.822343 0.798947 0.782025 Li\n0.657808 0.737099 0.036878 Li\n0.657725 0.737040 0.536863 Li\n0.498122 0.501590 0.750804 Ni\n0.997031 0.004364 0.000177 Ni\n0.498409 0.501448 0.250962 Ni\n0.996188 0.004927 0.500222 Ni\n0.708700 0.137543 0.131459 C\n0.708496 0.137569 0.631560 C\n0.787942 0.365945 0.381153 C\n0.787903 0.365837 0.881119 C\n0.208693 0.639037 0.119541 C\n0.208528 0.639059 0.619509 C\n0.286243 0.867813 0.369257 C\n0.286434 0.867634 0.869151 C\n0.965073 0.123518 0.128053 O\n0.964865 0.123583 0.628124 O\n0.602703 0.097059 0.059945 O\n0.602415 0.097259 0.560018 O\n0.566053 0.180738 0.202374 O\n0.565942 0.180634 0.702465 O\n0.932110 0.320720 0.451708 O\n0.932233 0.320474 0.951663 O\n0.892546 0.404568 0.309326 O\n0.892461 0.404502 0.809276 O\n0.529777 0.382598 0.378292 O\n0.529744 0.382577 0.878273 O\n0.466641 0.621310 0.122924 O\n0.466588 0.621209 0.622884 O\n0.103588 0.596893 0.191223 O\n0.103534 0.596811 0.691209 O\n0.431823 0.818748 0.299256 O\n0.431960 0.818634 0.799133 O\n0.062647 0.688395 0.049543 O\n0.062447 0.688578 0.549566 O\n0.390837 0.910371 0.440881 O\n0.391134 0.910145 0.940775 O\n0.028382 0.885162 0.372449 O\n0.028647 0.884927 0.872377 O\n","nsites":44,"nelements":4,"elements":["Li","Ni","C","O"],"chemical_system":"C-Li-Ni-O","density":2.690304919572189,"density_atomic":0.09253459836817375,"volume":475.4978221760274,"volume_molar":6.507988218676105,"formula_full":"Li8 Ni4 C8 O24","formula_reduced":"Li2Ni(CO3)2","formula_anonymous":"AB2C2D6","energy":-316.15970591,"energy_per_atom":-7.18544786159091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-289.50770591,"band_gap":3.5794,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.848000Z","spacegroup":1},{"id":"mp-1215656","created_at":"2022-09-04T14:43:22.614265Z","structure_string":"Zn1 Fe4 Cu1 O8\n1.0\n5.198494 -3.018968 0.000000\n5.198494 3.018968 0.000000\n3.445262 0.000000 4.926326\nZn Fe Cu O\n1 4 1 8\ndirect\n0.998564 0.998564 0.998564 Zn\n0.373877 0.373877 0.878446 Fe\n0.878446 0.373877 0.373877 Fe\n0.373877 0.878446 0.373877 Fe\n0.751724 0.751724 0.751724 Fe\n0.373790 0.373790 0.373790 Cu\n0.134642 0.134642 0.134642 O\n0.130433 0.130433 0.594886 O\n0.594886 0.130433 0.130433 O\n0.130433 0.594886 0.130433 O\n0.618451 0.618451 0.618451 O\n0.623285 0.623285 0.144308 O\n0.144308 0.623285 0.623285 O\n0.623285 0.144308 0.623285 O\n","nsites":14,"nelements":4,"elements":["Zn","Fe","Cu","O"],"chemical_system":"Cu-Fe-O-Zn","density":5.158219159091709,"density_atomic":0.09053965501398743,"volume":154.6283780056059,"volume_molar":6.651384698858905,"formula_full":"Zn1 Fe4 Cu1 O8","formula_reduced":"ZnFe4CuO8","formula_anonymous":"ABC4D8","energy":-100.35512414,"energy_per_atom":-7.168223152857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.83512414,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.9966283,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.668000Z","spacegroup":160},{"id":"mp-1180136","created_at":"2022-09-04T14:43:22.621164Z","structure_string":"Na2 P2 O2\n1.0\n-1.547904 3.057593 4.639195\n1.547904 -3.057593 4.639195\n1.547904 3.057593 -4.639195\nNa P O\n2 2 2\ndirect\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.500000 P\n0.500000 0.000000 0.000000 P\n0.250000 0.507172 0.257172 O\n0.750000 0.492828 0.742828 O\n","nsites":6,"nelements":3,"elements":["Na","P","O"],"chemical_system":"Na-O-P","density":2.645579235545176,"density_atomic":0.068316393819736,"volume":87.82664986433538,"volume_molar":8.815074132704376,"formula_full":"Na2 P2 O2","formula_reduced":"NaPO","formula_anonymous":"ABC","energy":-26.70734278,"energy_per_atom":-4.451223796666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.33334278,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.38e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.258000Z","spacegroup":74},{"id":"mp-1096589","created_at":"2022-09-04T14:43:33.467345Z","structure_string":"Hf1 Ti1 Fe2\n1.0\n-4.442476 5.787509 8.074677\n4.442476 -5.787509 8.074677\n4.442476 5.787509 -8.074677\nHf Ti Fe\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Ti\n0.000000 0.244251 0.244251 Fe\n0.000000 0.755749 0.755749 Fe\n","nsites":4,"nelements":3,"elements":["Hf","Ti","Fe"],"chemical_system":"Fe-Hf-Ti","density":0.675965084145417,"density_atomic":0.004816793980689918,"volume":830.4278771389497,"volume_molar":125.02383917896853,"formula_full":"Hf1 Ti1 Fe2","formula_reduced":"HfTiFe2","formula_anonymous":"ABC2","energy":-21.63956048,"energy_per_atom":-5.40989012,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.63956048,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.4493158,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.742000Z","spacegroup":71},{"id":"mp-1075928","created_at":"2022-09-04T14:43:21.956433Z","structure_string":"Sr4 Ca4 Co8 O24\n1.0\n7.659349 0.000000 0.000000\n0.000000 7.659349 0.000000\n0.000000 0.000000 7.657479\nSr Ca Co O\n4 4 8 24\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.749988 0.250012 0.750714 Co\n0.250012 0.250012 0.750714 Co\n0.749988 0.250012 0.249286 Co\n0.250012 0.250012 0.249286 Co\n0.749988 0.749988 0.750714 Co\n0.250012 0.749988 0.750714 Co\n0.749988 0.749988 0.249286 Co\n0.250012 0.749988 0.249286 Co\n0.749989 0.000000 0.752795 O\n0.250011 0.000000 0.752795 O\n0.749989 0.000000 0.247205 O\n0.250011 0.000000 0.247205 O\n0.749972 0.500000 0.750095 O\n0.250028 0.500000 0.750095 O\n0.749972 0.500000 0.249905 O\n0.250028 0.500000 0.249905 O\n0.748630 0.251370 0.500000 O\n0.251370 0.251370 0.500000 O\n0.751328 0.248672 0.000000 O\n0.248672 0.248672 0.000000 O\n0.748630 0.748630 0.500000 O\n0.251370 0.748630 0.500000 O\n0.751328 0.751328 0.000000 O\n0.248672 0.751328 0.000000 O\n0.500000 0.250028 0.750095 O\n0.000000 0.250011 0.752795 O\n0.500000 0.250028 0.249905 O\n0.000000 0.250011 0.247205 O\n0.500000 0.749972 0.750095 O\n0.000000 0.749989 0.752795 O\n0.500000 0.749972 0.249905 O\n0.000000 0.749989 0.247205 O\n","nsites":40,"nelements":4,"elements":["Sr","Ca","Co","O"],"chemical_system":"Ca-Co-O-Sr","density":5.050188240497346,"density_atomic":0.08904108829143362,"volume":449.23080756918694,"volume_molar":6.763327892275292,"formula_full":"Sr4 Ca4 Co8 O24","formula_reduced":"SrCa(CoO3)2","formula_anonymous":"ABC2D6","energy":-267.83468731,"energy_per_atom":-6.69586718275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-238.24268731,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.5622881,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.156000Z","spacegroup":123},{"id":"mp-542417","created_at":"2022-09-04T14:43:21.957868Z","structure_string":"Cs4 Mg2 H24 S4 O28\n1.0\n12.970043 0.000000 0.000000\n0.000000 6.421304 0.000000\n0.000000 2.693845 8.999787\nCs Mg H S O\n4 2 24 4 28\ndirect\n0.356861 0.648238 0.127066 Cs\n0.856861 0.351762 0.372934 Cs\n0.643139 0.351762 0.872934 Cs\n0.143139 0.648238 0.627066 Cs\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.099962 0.682330 0.212894 H\n0.599962 0.317670 0.287106 H\n0.900038 0.317670 0.787106 H\n0.400038 0.682330 0.712894 H\n0.130902 0.915744 0.235119 H\n0.630902 0.084256 0.264881 H\n0.869098 0.084256 0.764881 H\n0.369098 0.915744 0.735119 H\n0.097219 0.072231 0.724949 H\n0.597219 0.927769 0.775051 H\n0.902781 0.927769 0.275051 H\n0.402781 0.072231 0.224949 H\n0.183358 0.016358 0.848633 H\n0.683358 0.983642 0.651367 H\n0.816642 0.983642 0.151367 H\n0.316642 0.016358 0.348633 H\n0.939057 0.662525 0.900693 H\n0.439057 0.337475 0.599307 H\n0.060943 0.337475 0.099307 H\n0.560943 0.662525 0.400693 H\n0.861204 0.686009 0.022686 H\n0.361204 0.313991 0.477314 H\n0.138796 0.313991 0.977314 H\n0.638796 0.686009 0.522686 H\n0.148519 0.258783 0.395585 S\n0.648519 0.741217 0.104415 S\n0.851481 0.741217 0.604415 S\n0.351481 0.258783 0.895585 S\n0.239128 0.389372 0.417873 O\n0.739128 0.610628 0.082127 O\n0.760872 0.610628 0.582127 O\n0.260872 0.389372 0.917873 O\n0.084122 0.197204 0.532524 O\n0.584122 0.802796 0.967476 O\n0.915878 0.802796 0.467476 O\n0.415878 0.197204 0.032524 O\n0.084815 0.397210 0.270389 O\n0.584815 0.602790 0.229611 O\n0.915185 0.602790 0.729611 O\n0.415185 0.397210 0.770389 O\n0.184795 0.059334 0.357373 O\n0.684795 0.940666 0.142627 O\n0.815205 0.940666 0.642627 O\n0.315205 0.059334 0.857373 O\n0.108612 0.840020 0.162027 O\n0.608612 0.159980 0.337973 O\n0.891388 0.159980 0.837973 O\n0.391388 0.840020 0.662027 O\n0.108971 0.993056 0.831056 O\n0.608971 0.006944 0.668944 O\n0.891029 0.006944 0.168944 O\n0.391029 0.993056 0.331056 O\n0.934925 0.708328 0.992657 O\n0.434925 0.291672 0.507343 O\n0.065075 0.291672 0.007343 O\n0.565075 0.708328 0.492657 O\n","nsites":62,"nelements":5,"elements":["Cs","Mg","H","S","O"],"chemical_system":"Cs-H-Mg-O-S","density":2.6156469092543264,"density_atomic":0.0827170069856438,"volume":749.5435613471918,"volume_molar":7.280414245458846,"formula_full":"Cs4 Mg2 H24 S4 O28","formula_reduced":"Cs2MgH12(SO7)2","formula_anonymous":"AB2C2D12E14","energy":-350.77523781,"energy_per_atom":-5.657665125967743,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-331.53923781,"band_gap":5.0352,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.001934,"is_theoretical":false,"updated_at":"2021-11-28T01:36:13.972000Z","spacegroup":14},{"id":"mp-542533","created_at":"2022-09-04T14:43:21.969295Z","structure_string":"Cs4 Na4 B16 H48 O52\n1.0\n11.545089 0.000000 0.000000\n0.000000 8.250722 0.000000\n0.000000 0.558698 13.244276\nCs Na B H O\n4 4 16 48 52\ndirect\n0.389498 0.041761 0.368289 Cs\n0.889498 0.958239 0.131711 Cs\n0.610502 0.958239 0.631711 Cs\n0.110502 0.041761 0.868289 Cs\n0.088290 0.138293 0.537133 Na\n0.588290 0.861707 0.962867 Na\n0.911710 0.861707 0.462867 Na\n0.411710 0.138293 0.037133 Na\n0.598171 0.364548 0.409583 B\n0.098171 0.635452 0.090417 B\n0.401829 0.635452 0.590417 B\n0.901829 0.364548 0.909583 B\n0.703389 0.356400 0.248867 B\n0.203389 0.643600 0.251133 B\n0.296611 0.643600 0.751133 B\n0.796611 0.356400 0.748867 B\n0.823940 0.596594 0.297400 B\n0.323940 0.403406 0.202600 B\n0.176060 0.403406 0.702600 B\n0.676060 0.596594 0.797400 B\n0.612304 0.612906 0.289865 B\n0.112304 0.387094 0.210135 B\n0.387696 0.387094 0.710135 B\n0.887696 0.612906 0.789865 B\n0.508336 0.356597 0.539095 H\n0.008336 0.643403 0.960905 H\n0.491664 0.643403 0.460905 H\n0.991664 0.356597 0.039095 H\n0.709703 0.283047 0.106143 H\n0.209703 0.716953 0.393857 H\n0.290297 0.716953 0.893857 H\n0.790297 0.283047 0.606143 H\n0.999706 0.606743 0.308374 H\n0.499706 0.393257 0.191626 H\n0.000294 0.393257 0.691626 H\n0.500294 0.606743 0.808374 H\n0.450775 0.684005 0.254211 H\n0.950775 0.315995 0.245789 H\n0.549225 0.315995 0.745789 H\n0.049225 0.684005 0.754211 H\n0.189286 0.408718 0.395291 H\n0.689286 0.591282 0.104709 H\n0.810714 0.591282 0.604709 H\n0.310714 0.408718 0.895291 H\n0.271216 0.393134 0.491740 H\n0.771216 0.606866 0.008260 H\n0.728784 0.606866 0.508260 H\n0.228784 0.393134 0.991740 H\n0.284666 0.115030 0.636714 H\n0.784666 0.884970 0.863286 H\n0.715334 0.884970 0.363286 H\n0.215334 0.115030 0.136714 H\n0.294735 0.923170 0.621271 H\n0.794735 0.076830 0.878729 H\n0.705265 0.076830 0.378729 H\n0.205265 0.923170 0.121271 H\n0.054166 0.104963 0.324716 H\n0.554166 0.895037 0.175284 H\n0.945834 0.895037 0.675284 H\n0.445834 0.104963 0.824716 H\n0.112382 0.930069 0.347528 H\n0.612382 0.069931 0.152472 H\n0.887618 0.069931 0.652472 H\n0.387618 0.930069 0.847528 H\n0.877158 0.325646 0.408220 H\n0.377158 0.674354 0.091780 H\n0.122842 0.674354 0.591780 H\n0.622842 0.325646 0.908220 H\n0.986164 0.397707 0.453343 H\n0.486164 0.602293 0.046657 H\n0.013836 0.602293 0.546657 H\n0.513836 0.397707 0.953343 H\n0.658825 0.272919 0.342935 O\n0.158825 0.727081 0.157065 O\n0.341175 0.727081 0.657065 O\n0.841175 0.272919 0.842935 O\n0.818803 0.434258 0.275262 O\n0.318803 0.565742 0.224738 O\n0.181197 0.565742 0.724738 O\n0.681197 0.434258 0.775262 O\n0.726193 0.692708 0.301137 O\n0.226193 0.307292 0.198863 O\n0.273807 0.307292 0.698863 O\n0.773807 0.692708 0.801137 O\n0.580616 0.528908 0.391155 O\n0.080616 0.471092 0.108845 O\n0.419384 0.471092 0.608845 O\n0.919384 0.528908 0.891155 O\n0.623265 0.486354 0.213771 O\n0.123265 0.513646 0.286229 O\n0.376735 0.513646 0.786229 O\n0.876735 0.486354 0.713771 O\n0.555227 0.285518 0.495301 O\n0.055227 0.714482 0.004699 O\n0.444773 0.714482 0.504699 O\n0.944773 0.285518 0.995301 O\n0.718093 0.233814 0.173883 O\n0.218093 0.766186 0.326117 O\n0.281907 0.766186 0.826117 O\n0.781907 0.233814 0.673883 O\n0.927135 0.672349 0.318439 O\n0.427135 0.327651 0.181561 O\n0.072865 0.327651 0.681561 O\n0.572865 0.672349 0.818439 O\n0.526956 0.735870 0.263306 O\n0.026956 0.264130 0.236694 O\n0.473044 0.264130 0.736694 O\n0.973044 0.735870 0.763306 O\n0.216668 0.333714 0.450962 O\n0.716668 0.666286 0.049038 O\n0.783332 0.666286 0.549038 O\n0.283332 0.333714 0.950962 O\n0.269276 0.028105 0.589413 O\n0.769276 0.971895 0.910587 O\n0.730724 0.971895 0.410587 O\n0.230724 0.028105 0.089413 O\n0.061860 0.013626 0.376151 O\n0.561860 0.986374 0.123849 O\n0.938140 0.986374 0.623849 O\n0.438140 0.013626 0.876151 O\n0.923607 0.321882 0.470469 O\n0.423607 0.678118 0.029531 O\n0.076393 0.678118 0.529531 O\n0.576393 0.321882 0.970469 O\n","nsites":124,"nelements":5,"elements":["Cs","Na","B","H","O"],"chemical_system":"B-Cs-H-Na-O","density":2.2071942829273206,"density_atomic":0.09828884308483016,"volume":1261.587745955859,"volume_molar":6.126983054223632,"formula_full":"Cs4 Na4 B16 H48 O52","formula_reduced":"CsNaB4H12O13","formula_anonymous":"ABC4D12E13","energy":-770.5291885600001,"energy_per_atom":-6.213945069032259,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-734.80518856,"band_gap":4.9524,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004044,"is_theoretical":false,"updated_at":"2021-11-28T01:36:18.743000Z","spacegroup":14},{"id":"mp-1221702","created_at":"2022-09-04T14:43:21.978651Z","structure_string":"Mn1 Al1 Rh2\n1.0\n3.030145 0.000000 0.000000\n0.000000 3.030145 0.000000\n0.000000 0.000000 6.085951\nMn Al Rh\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.242072 Rh\n0.500000 0.500000 0.757928 Rh\n","nsites":4,"nelements":3,"elements":["Mn","Al","Rh"],"chemical_system":"Al-Mn-Rh","density":8.550270422093169,"density_atomic":0.07158214659208557,"volume":55.879855389000824,"volume_molar":8.412908870025188,"formula_full":"Mn1 Al1 Rh2","formula_reduced":"MnAlRh2","formula_anonymous":"ABC2","energy":-30.24941477,"energy_per_atom":-7.5623536925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.24941477,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.3273011,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.522000Z","spacegroup":123},{"id":"mp-570702","created_at":"2022-09-04T14:43:21.998455Z","structure_string":"Sm2 Cu4 Sn5\n1.0\n-2.212181 2.212181 12.515537\n2.212181 -2.212181 12.515537\n2.212181 2.212181 -12.515537\nSm Cu Sn\n2 4 5\ndirect\n0.003977 0.003977 0.000000 Sm\n0.684223 0.684223 0.000000 Sm\n0.550034 0.550034 0.000000 Cu\n0.592722 0.092722 0.500000 Cu\n0.455736 0.455736 0.000000 Cu\n0.092722 0.592722 0.500000 Cu\n0.780907 0.280907 0.500000 Sn\n0.280907 0.780907 0.500000 Sn\n0.397049 0.897049 0.500000 Sn\n0.897049 0.397049 0.500000 Sn\n0.151673 0.151673 0.000000 Sn\n","nsites":11,"nelements":3,"elements":["Sm","Cu","Sn"],"chemical_system":"Cu-Sm-Sn","density":7.784162732046392,"density_atomic":0.04489953977787728,"volume":244.99137528843616,"volume_molar":13.412477699754074,"formula_full":"Sm2 Cu4 Sn5","formula_reduced":"Sm2Cu4Sn5","formula_anonymous":"A2B4C5","energy":-48.56864442,"energy_per_atom":-4.415331310909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.56864442,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000614,"is_theoretical":false,"updated_at":"2021-11-28T01:36:07.965000Z","spacegroup":107},{"id":"mp-1224515","created_at":"2022-09-04T14:43:22.009838Z","structure_string":"Hf20 Si12 B1\n1.0\n-0.002055 -0.003560 -5.536459\n-3.954230 -6.848926 -0.005820\n-11.859691 6.847195 0.000000\nHf Si B\n20 12 1\ndirect\n0.500000 0.999996 0.334536 Hf\n0.500000 0.499991 0.832548 Hf\n0.500000 0.499991 0.167452 Hf\n0.500000 0.999996 0.665464 Hf\n0.000003 0.500008 0.164846 Hf\n0.999998 0.000002 0.667237 Hf\n0.999998 0.000002 0.332763 Hf\n0.000003 0.500008 0.835154 Hf\n0.755832 0.247665 0.000000 Hf\n0.750594 0.751147 0.500000 Hf\n0.749547 0.375232 0.374238 Hf\n0.755649 0.875573 0.875408 Hf\n0.755649 0.875573 0.124592 Hf\n0.749547 0.375232 0.625762 Hf\n0.244162 0.752336 0.000000 Hf\n0.249402 0.248855 0.500000 Hf\n0.244353 0.124429 0.124593 Hf\n0.250451 0.624767 0.625760 Hf\n0.250451 0.624767 0.374240 Hf\n0.244353 0.124429 0.875407 Hf\n0.747850 0.606686 0.000000 Si\n0.752469 0.109790 0.500000 Si\n0.750878 0.197420 0.197281 Si\n0.749908 0.695843 0.695518 Si\n0.749908 0.695843 0.304482 Si\n0.750878 0.197420 0.802719 Si\n0.252142 0.393317 0.000000 Si\n0.247525 0.890210 0.500000 Si\n0.250098 0.304157 0.304482 Si\n0.249128 0.802578 0.802721 Si\n0.249128 0.802578 0.197279 Si\n0.250098 0.304157 0.695518 Si\n0.999999 0.000002 0.000000 B\n","nsites":33,"nelements":3,"elements":["Hf","Si","B"],"chemical_system":"B-Hf-Si","density":10.849428138542262,"density_atomic":0.05503608051145918,"volume":599.6066524600893,"volume_molar":10.942168671960784,"formula_full":"Hf20 Si12 B1","formula_reduced":"Hf20Si12B","formula_anonymous":"AB12C20","energy":-295.90472541,"energy_per_atom":-8.966809860909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-295.90472541,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008387,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.982000Z","spacegroup":10}]}