{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=60","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=58","results":[{"id":"mp-1202237","created_at":"2022-09-04T14:40:03.991183Z","structure_string":"Mg4 B8 H52 N12\n1.0\n9.035117 0.000000 0.000000\n0.000000 8.093640 0.000000\n0.000000 0.835188 8.825887\nMg B H N\n4 8 52 12\ndirect\n0.075706 0.717952 0.728184 Mg\n0.575706 0.282048 0.771816 Mg\n0.924294 0.282048 0.271816 Mg\n0.424294 0.717952 0.228184 Mg\n0.225422 0.801102 0.033499 B\n0.725422 0.198898 0.466501 B\n0.774578 0.198898 0.966501 B\n0.274578 0.801102 0.533499 B\n0.741768 0.650944 0.754928 B\n0.241768 0.349056 0.745072 B\n0.258232 0.349056 0.245072 B\n0.758232 0.650944 0.254928 B\n0.218676 0.791761 0.175395 H\n0.718676 0.208239 0.324605 H\n0.781324 0.208239 0.824605 H\n0.281324 0.791761 0.675395 H\n0.204465 0.947933 0.990997 H\n0.704465 0.052067 0.509003 H\n0.795535 0.052067 0.009003 H\n0.295535 0.947933 0.490997 H\n0.351773 0.763586 0.993701 H\n0.851773 0.236414 0.506299 H\n0.648227 0.236414 0.006299 H\n0.148227 0.763586 0.493701 H\n0.007111 0.705972 0.014318 H\n0.507111 0.294028 0.485682 H\n0.992889 0.294028 0.985682 H\n0.492889 0.705972 0.514318 H\n0.132604 0.564293 0.000441 H\n0.632604 0.435707 0.499559 H\n0.867396 0.435707 0.999559 H\n0.367396 0.564293 0.500441 H\n0.775675 0.681022 0.884459 H\n0.275675 0.318978 0.615541 H\n0.224325 0.318978 0.115541 H\n0.724325 0.681022 0.384459 H\n0.682101 0.774343 0.689741 H\n0.182101 0.225657 0.810259 H\n0.317899 0.225657 0.310259 H\n0.817899 0.774343 0.189741 H\n0.647554 0.537961 0.766044 H\n0.147554 0.462039 0.733956 H\n0.352446 0.462039 0.233956 H\n0.852446 0.537961 0.266044 H\n0.903550 0.477156 0.683920 H\n0.403550 0.522844 0.816080 H\n0.096450 0.522844 0.316080 H\n0.596450 0.477156 0.183920 H\n0.858461 0.618435 0.549630 H\n0.358461 0.381565 0.950370 H\n0.141539 0.381565 0.450370 H\n0.641539 0.618435 0.049630 H\n0.062074 0.060581 0.703685 H\n0.562074 0.939419 0.796315 H\n0.937926 0.939419 0.296315 H\n0.437926 0.060581 0.203685 H\n0.908669 0.987188 0.635310 H\n0.408669 0.012812 0.864690 H\n0.091331 0.012812 0.364690 H\n0.591331 0.987188 0.135310 H\n0.932563 0.982740 0.816600 H\n0.432563 0.017260 0.683400 H\n0.067437 0.017260 0.183400 H\n0.567437 0.982740 0.316600 H\n0.108724 0.685984 0.967054 N\n0.608724 0.314016 0.532946 N\n0.891276 0.314016 0.032946 N\n0.391276 0.685984 0.467054 N\n0.881393 0.601386 0.663301 N\n0.381393 0.398614 0.836699 N\n0.118607 0.398614 0.336699 N\n0.618607 0.601386 0.163301 N\n0.987336 0.964764 0.718331 N\n0.487336 0.035236 0.781669 N\n0.012664 0.035236 0.281669 N\n0.512664 0.964764 0.218331 N\n","nsites":76,"nelements":4,"elements":["Mg","B","H","N"],"chemical_system":"B-H-Mg-N","density":1.0399459190870943,"density_atomic":0.11775451426991211,"volume":645.4105005757647,"volume_molar":5.114148529538574,"formula_full":"Mg4 B8 H52 N12","formula_reduced":"MgB2H13N3","formula_anonymous":"AB2C3D13","energy":-368.52068652,"energy_per_atom":-4.848956401578948,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-364.18868652,"band_gap":4.9993,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022925,"is_theoretical":false,"updated_at":"2021-11-28T01:34:46.194000Z","spacegroup":14},{"id":"mp-542888","created_at":"2022-09-04T14:40:03.999659Z","structure_string":"La6 Ag2 Sn2 S14\n1.0\n5.238379 -9.073139 0.000000\n5.238379 9.073139 0.000000\n0.000000 0.000000 6.071429\nLa Ag Sn S\n6 2 2 14\ndirect\n0.131854 0.358762 0.081890 La\n0.773093 0.131854 0.581890 La\n0.358762 0.226907 0.581890 La\n0.641238 0.773093 0.081890 La\n0.226907 0.868146 0.081890 La\n0.868146 0.641238 0.581890 La\n0.000000 0.000000 0.002541 Ag\n0.000000 0.000000 0.502541 Ag\n0.333333 0.666667 0.657494 Sn\n0.666667 0.333333 0.157494 Sn\n0.267661 0.166376 0.055156 S\n0.101285 0.267661 0.555156 S\n0.166376 0.898715 0.555156 S\n0.833624 0.101285 0.055156 S\n0.898715 0.732339 0.055156 S\n0.732339 0.833624 0.555156 S\n0.515862 0.093672 0.327816 S\n0.422190 0.515862 0.827816 S\n0.093672 0.577810 0.827816 S\n0.906328 0.422190 0.327816 S\n0.577810 0.484138 0.327816 S\n0.484138 0.906328 0.827816 S\n0.333333 0.666667 0.265680 S\n0.666667 0.333333 0.765680 S\n","nsites":24,"nelements":4,"elements":["La","Ag","Sn","S"],"chemical_system":"Ag-La-S-Sn","density":4.9934203050112504,"density_atomic":0.041584917512338795,"volume":577.1323219020185,"volume_molar":14.481550331831608,"formula_full":"La6 Ag2 Sn2 S14","formula_reduced":"La3AgSnS7","formula_anonymous":"ABC3D7","energy":-144.29001574,"energy_per_atom":-6.012083989166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.24801574,"band_gap":1.9522999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0039544,"is_theoretical":false,"updated_at":"2021-11-28T01:34:48.018000Z","spacegroup":173},{"id":"mp-772240","created_at":"2022-09-04T14:40:03.936933Z","structure_string":"Li4 Mn2 H8 S4 O20\n1.0\n13.073220 0.000000 0.000000\n0.000000 5.484638 0.000000\n0.000000 1.030224 5.406676\nLi Mn H S O\n4 2 8 4 20\ndirect\n0.113126 0.270165 0.403294 Li\n0.386874 0.770165 0.403294 Li\n0.613126 0.229835 0.596706 Li\n0.886874 0.729835 0.596706 Li\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.293335 0.522039 0.108106 H\n0.206665 0.022039 0.108106 H\n0.343369 0.332287 0.328351 H\n0.156631 0.832287 0.328351 H\n0.843369 0.167713 0.671649 H\n0.656631 0.667713 0.671649 H\n0.793335 0.977961 0.891894 H\n0.706665 0.477961 0.891894 H\n0.883655 0.446601 0.241116 S\n0.616345 0.946601 0.241116 S\n0.383655 0.053399 0.758884 S\n0.116345 0.553399 0.758884 S\n0.330054 0.017414 0.997746 O\n0.169946 0.517414 0.997746 O\n0.549203 0.167634 0.255803 O\n0.356124 0.493307 0.212255 O\n0.950223 0.218748 0.272498 O\n0.950797 0.667634 0.255803 O\n0.143876 0.993307 0.212255 O\n0.549777 0.718748 0.272498 O\n0.813314 0.424086 0.457343 O\n0.313314 0.075914 0.542657 O\n0.686686 0.924086 0.457343 O\n0.186686 0.575914 0.542657 O\n0.450223 0.281252 0.727502 O\n0.856124 0.006693 0.787745 O\n0.049203 0.332366 0.744197 O\n0.049777 0.781252 0.727502 O\n0.643876 0.506693 0.787745 O\n0.450797 0.832366 0.744197 O\n0.830054 0.482586 0.002254 O\n0.669946 0.982586 0.002254 O\n","nsites":38,"nelements":5,"elements":["Li","Mn","H","S","O"],"chemical_system":"H-Li-Mn-O-S","density":2.5441298791394966,"density_atomic":0.09802180912842214,"volume":387.6688293950456,"volume_molar":6.143674365477342,"formula_full":"Li4 Mn2 H8 S4 O20","formula_reduced":"Li2MnH4(SO5)2","formula_anonymous":"AB2C2D4E10","energy":-239.93016009,"energy_per_atom":-6.313951581315789,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-222.85416009,"band_gap":4.0138,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":10.120196,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.888000Z","spacegroup":14},{"id":"mp-983497","created_at":"2022-09-04T14:40:03.944677Z","structure_string":"Pa3 Zn1\n1.0\n4.508804 0.000000 0.000000\n0.000000 4.508804 0.000000\n0.000000 0.000000 4.508804\nPa Zn\n3 1\ndirect\n0.500000 0.000000 0.000000 Pa\n0.000000 0.500000 0.000000 Pa\n0.000000 0.000000 0.500000 Pa\n0.500000 0.500000 0.500000 Zn\n","nsites":4,"nelements":2,"elements":["Pa","Zn"],"chemical_system":"Pa-Zn","density":13.74137336417751,"density_atomic":0.043639113659201575,"volume":91.66089007301768,"volume_molar":13.79986955516498,"formula_full":"Pa3 Zn1","formula_reduced":"Pa3Zn","formula_anonymous":"AB3","energy":-29.54188921,"energy_per_atom":-7.3854723025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.54188921,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2254993,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.315000Z","spacegroup":221},{"id":"mp-754559","created_at":"2022-09-04T14:40:03.947060Z","structure_string":"Li4 Fe3 O1 F11\n1.0\n5.871475 0.000000 0.000000\n-0.857506 5.901025 0.000000\n-1.073293 -1.231040 5.948545\nLi Fe O F\n4 3 1 11\ndirect\n0.123130 0.334303 0.583192 Li\n0.601995 0.132439 0.309802 Li\n0.859860 0.662996 0.401267 Li\n0.329091 0.602910 0.145855 Li\n0.687065 0.373755 0.866845 Fe\n0.994068 0.003599 0.007191 Fe\n0.409095 0.857146 0.658391 Fe\n0.679045 0.045533 0.873310 O\n0.079900 0.321527 0.953680 F\n0.398779 0.179628 0.593164 F\n0.437183 0.592641 0.816890 F\n0.946230 0.117623 0.306279 F\n0.809514 0.430769 0.605616 F\n0.193483 0.601490 0.421622 F\n0.081449 0.892505 0.708659 F\n0.582283 0.399238 0.157098 F\n0.600114 0.823090 0.428671 F\n0.882513 0.682501 0.045013 F\n0.305205 0.946305 0.117452 F\n","nsites":19,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":3.386127151731183,"density_atomic":0.09218668093447487,"volume":206.10352609944772,"volume_molar":6.532549712122147,"formula_full":"Li4 Fe3 O1 F11","formula_reduced":"Li4Fe3OF11","formula_anonymous":"AB3C4D11","energy":-111.26187502,"energy_per_atom":-5.855888158947368,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.72487502,"band_gap":2.6304,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":15.0003664,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.602000Z","spacegroup":1},{"id":"mp-1018062","created_at":"2022-09-04T14:40:03.959428Z","structure_string":"Fe1 Sn1 Rh2\n1.0\n-2.081946 2.081946 3.539141\n2.081946 -2.081946 3.539141\n2.081946 2.081946 -3.539141\nFe Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Sn\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n","nsites":4,"nelements":3,"elements":["Fe","Sn","Rh"],"chemical_system":"Fe-Rh-Sn","density":10.293285255229476,"density_atomic":0.06518733294905014,"volume":61.36161458126175,"volume_molar":9.238207006730669,"formula_full":"Fe1 Sn1 Rh2","formula_reduced":"FeSnRh2","formula_anonymous":"ABC2","energy":-28.41230368,"energy_per_atom":-7.10307592,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.41230368,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.903203,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.619000Z","spacegroup":139},{"id":"mp-23861","created_at":"2022-09-04T14:40:03.962487Z","structure_string":"Ba2 H2 Cl2\n1.0\n4.435320 0.000000 0.000000\n0.000000 4.435320 0.000000\n0.000000 0.000000 7.314739\nBa H Cl\n2 2 2\ndirect\n0.000000 0.500000 0.792142 Ba\n0.500000 0.000000 0.207858 Ba\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.500000 0.000000 0.653016 Cl\n0.000000 0.500000 0.346984 Cl\n","nsites":6,"nelements":3,"elements":["Ba","H","Cl"],"chemical_system":"Ba-Cl-H","density":4.010975195912121,"density_atomic":0.04169677807849964,"volume":143.89601011148187,"volume_molar":14.442700461562119,"formula_full":"Ba2 H2 Cl2","formula_reduced":"BaHCl","formula_anonymous":"ABC","energy":-25.332217869999997,"energy_per_atom":-4.222036311666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.74621787,"band_gap":3.4827000000000004,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001519,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.199000Z","spacegroup":129},{"id":"mp-560115","created_at":"2022-09-04T14:40:03.999835Z","structure_string":"Rb6 Mo24 P2 O80\n1.0\n12.033581 0.000000 0.000000\n0.000000 12.033581 0.000000\n0.000000 0.000000 12.033581\nRb Mo P O\n6 24 2 80\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.787657 0.787657 0.992060 Mo\n0.507940 0.287657 0.287657 Mo\n0.992060 0.212343 0.212343 Mo\n0.492060 0.712343 0.287657 Mo\n0.287657 0.507940 0.287657 Mo\n0.507940 0.712343 0.712343 Mo\n0.712343 0.492060 0.287657 Mo\n0.992060 0.787657 0.787657 Mo\n0.492060 0.287657 0.712343 Mo\n0.007940 0.212343 0.787657 Mo\n0.787657 0.992060 0.787657 Mo\n0.287657 0.492060 0.712343 Mo\n0.787657 0.007940 0.212343 Mo\n0.212343 0.787657 0.007940 Mo\n0.007940 0.787657 0.212343 Mo\n0.712343 0.712343 0.507940 Mo\n0.712343 0.507940 0.712343 Mo\n0.212343 0.992060 0.212343 Mo\n0.787657 0.212343 0.007940 Mo\n0.287657 0.712343 0.492060 Mo\n0.287657 0.287657 0.507940 Mo\n0.212343 0.007940 0.787657 Mo\n0.212343 0.212343 0.992060 Mo\n0.712343 0.287657 0.492060 Mo\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.717913 0.123583 0.123583 O\n0.574236 0.574236 0.574236 O\n0.515786 0.811657 0.188343 O\n0.123583 0.717913 0.123583 O\n0.425764 0.425764 0.574236 O\n0.597354 0.597354 0.247654 O\n0.282087 0.123583 0.876417 O\n0.623583 0.623583 0.782087 O\n0.376417 0.623583 0.217913 O\n0.123583 0.123583 0.717913 O\n0.097354 0.097354 0.252346 O\n0.123583 0.282087 0.876417 O\n0.984214 0.688343 0.311657 O\n0.484214 0.811657 0.811657 O\n0.811657 0.188343 0.515786 O\n0.097354 0.902646 0.747654 O\n0.252346 0.097354 0.097354 O\n0.811657 0.484214 0.811657 O\n0.097354 0.747654 0.902646 O\n0.188343 0.188343 0.484214 O\n0.311657 0.688343 0.984214 O\n0.311657 0.984214 0.688343 O\n0.597354 0.247654 0.597354 O\n0.282087 0.876417 0.123583 O\n0.217913 0.623583 0.376417 O\n0.074236 0.925764 0.074236 O\n0.782087 0.376417 0.376417 O\n0.623583 0.782087 0.623583 O\n0.515786 0.188343 0.811657 O\n0.402646 0.402646 0.247654 O\n0.688343 0.688343 0.015786 O\n0.984214 0.311657 0.688343 O\n0.902646 0.097354 0.747654 O\n0.688343 0.984214 0.311657 O\n0.597354 0.402646 0.752346 O\n0.597354 0.752346 0.402646 O\n0.247654 0.597354 0.597354 O\n0.902646 0.902646 0.252346 O\n0.925764 0.925764 0.925764 O\n0.188343 0.811657 0.515786 O\n0.717913 0.876417 0.876417 O\n0.876417 0.123583 0.282087 O\n0.376417 0.782087 0.376417 O\n0.925764 0.074236 0.074236 O\n0.402646 0.597354 0.752346 O\n0.876417 0.876417 0.717913 O\n0.752346 0.402646 0.597354 O\n0.074236 0.074236 0.925764 O\n0.247654 0.402646 0.402646 O\n0.217913 0.376417 0.623583 O\n0.376417 0.376417 0.782087 O\n0.574236 0.425764 0.425764 O\n0.688343 0.311657 0.984214 O\n0.811657 0.811657 0.484214 O\n0.311657 0.015786 0.311657 O\n0.811657 0.515786 0.188343 O\n0.623583 0.376417 0.217913 O\n0.252346 0.902646 0.902646 O\n0.402646 0.752346 0.597354 O\n0.747654 0.902646 0.097354 O\n0.876417 0.717913 0.876417 O\n0.782087 0.623583 0.623583 O\n0.376417 0.217913 0.623583 O\n0.752346 0.597354 0.402646 O\n0.311657 0.311657 0.015786 O\n0.688343 0.015786 0.688343 O\n0.484214 0.188343 0.188343 O\n0.015786 0.311657 0.311657 O\n0.747654 0.097354 0.902646 O\n0.623583 0.217913 0.376417 O\n0.097354 0.252346 0.097354 O\n0.876417 0.282087 0.123583 O\n0.188343 0.484214 0.188343 O\n0.015786 0.688343 0.688343 O\n0.425764 0.574236 0.425764 O\n0.902646 0.747654 0.097354 O\n0.402646 0.247654 0.402646 O\n0.902646 0.252346 0.902646 O\n0.123583 0.876417 0.282087 O\n0.188343 0.515786 0.811657 O\n","nsites":112,"nelements":4,"elements":["Rb","Mo","P","O"],"chemical_system":"Mo-O-P-Rb","density":3.961615187080763,"density_atomic":0.0642737095378221,"volume":1742.5476264769375,"volume_molar":9.369524185400017,"formula_full":"Rb6 Mo24 P2 O80","formula_reduced":"Rb3Mo12PO40","formula_anonymous":"AB3C12D40","energy":-905.32547947,"energy_per_atom":-8.083263209553571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-773.51747947,"band_gap":2.2622,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0522805,"is_theoretical":false,"updated_at":"2021-11-28T01:34:45.825000Z","spacegroup":224},{"id":"mp-1324167","created_at":"2022-09-04T14:40:04.020296Z","structure_string":"Y8 Fe12 Si12 O48\n1.0\n-6.173316 6.173316 6.173316\n6.173316 -6.173316 6.173316\n6.173316 6.173316 -6.173316\nY Fe Si O\n8 12 12 48\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Y\n0.500000 0.500000 0.500000 Y\n0.000000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.875000 0.750000 0.625000 Fe\n0.875000 0.625000 0.250000 Fe\n0.625000 0.875000 0.750000 Fe\n0.250000 0.875000 0.625000 Fe\n0.750000 0.625000 0.875000 Fe\n0.625000 0.250000 0.875000 Fe\n0.125000 0.250000 0.375000 Fe\n0.125000 0.375000 0.750000 Fe\n0.375000 0.125000 0.250000 Fe\n0.750000 0.125000 0.375000 Fe\n0.250000 0.375000 0.125000 Fe\n0.375000 0.750000 0.125000 Fe\n0.125000 0.750000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.125000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.375000 0.625000 0.750000 Si\n0.250000 0.125000 0.875000 Si\n0.625000 0.375000 0.250000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.875000 0.250000 0.125000 Si\n0.597675 0.892919 0.371839 O\n0.371839 0.597675 0.892919 O\n0.274165 0.295244 0.902325 O\n0.478920 0.607081 0.204756 O\n0.295244 0.892919 0.021080 O\n0.128161 0.021080 0.225835 O\n0.371839 0.274165 0.478920 O\n0.892919 0.371839 0.597675 O\n0.204756 0.225835 0.597675 O\n0.478920 0.371839 0.274165 O\n0.892919 0.021080 0.295244 O\n0.607081 0.902325 0.128161 O\n0.902325 0.128161 0.607081 O\n0.274165 0.478920 0.371839 O\n0.597675 0.204756 0.225835 O\n0.225835 0.597675 0.204756 O\n0.021080 0.295244 0.892919 O\n0.902325 0.274165 0.295244 O\n0.021080 0.225835 0.128161 O\n0.795244 0.774165 0.402325 O\n0.295244 0.902325 0.274165 O\n0.607081 0.204756 0.478920 O\n0.225835 0.128161 0.021080 O\n0.128161 0.607081 0.902325 O\n0.402325 0.107081 0.628161 O\n0.628161 0.402325 0.107081 O\n0.725835 0.704756 0.097675 O\n0.521080 0.392919 0.795244 O\n0.704756 0.107081 0.978920 O\n0.871839 0.978920 0.774165 O\n0.628161 0.725835 0.521080 O\n0.107081 0.628161 0.402325 O\n0.871839 0.392919 0.097675 O\n0.774165 0.871839 0.978920 O\n0.392919 0.795244 0.521080 O\n0.704756 0.097675 0.725835 O\n0.795244 0.521080 0.392919 O\n0.978920 0.774165 0.871839 O\n0.097675 0.725835 0.704756 O\n0.978920 0.704756 0.107081 O\n0.774165 0.402325 0.795244 O\n0.402325 0.795244 0.774165 O\n0.725835 0.521080 0.628161 O\n0.097675 0.871839 0.392919 O\n0.392919 0.097675 0.871839 O\n0.107081 0.978920 0.704756 O\n0.521080 0.628161 0.725835 O\n0.204756 0.478920 0.607081 O\n","nsites":80,"nelements":4,"elements":["Y","Fe","Si","O"],"chemical_system":"Fe-O-Si-Y","density":4.387344972577824,"density_atomic":0.08501087200262744,"volume":941.0561039478272,"volume_molar":7.083965401288759,"formula_full":"Y8 Fe12 Si12 O48","formula_reduced":"Y2Fe3(SiO4)3","formula_anonymous":"A2B3C3D12","energy":-682.11850766,"energy_per_atom":-8.52648134575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-622.07050766,"band_gap":3.8458,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":47.9991934,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.755000Z","spacegroup":230},{"id":"mp-540692","created_at":"2022-09-04T14:40:04.093014Z","structure_string":"Ba6 Sm2 Ir4 O18\n1.0\n3.481565 -6.030247 0.000000\n3.481565 6.030247 0.000000\n0.000000 0.000000 15.301634\nBa Sm Ir O\n6 2 4 18\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666667 0.882381 Ba\n0.666667 0.333333 0.382381 Ba\n0.666667 0.333333 0.117619 Ba\n0.333333 0.666667 0.617619 Ba\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.333333 0.666667 0.161590 Ir\n0.666667 0.333333 0.661590 Ir\n0.666667 0.333333 0.838410 Ir\n0.333333 0.666667 0.338410 Ir\n0.452964 0.905928 0.250000 O\n0.547036 0.452964 0.750000 O\n0.905928 0.452964 0.750000 O\n0.094072 0.547036 0.250000 O\n0.452964 0.547036 0.250000 O\n0.547036 0.094072 0.750000 O\n0.863212 0.726424 0.393911 O\n0.136788 0.863212 0.893911 O\n0.726424 0.863212 0.893911 O\n0.273576 0.136788 0.393911 O\n0.863212 0.136788 0.393911 O\n0.136788 0.273576 0.606089 O\n0.136788 0.863212 0.606089 O\n0.136788 0.273576 0.893911 O\n0.726424 0.863212 0.606089 O\n0.273576 0.136788 0.106089 O\n0.863212 0.726424 0.106089 O\n0.863212 0.136788 0.106089 O\n","nsites":30,"nelements":4,"elements":["Ba","Sm","Ir","O"],"chemical_system":"Ba-Ir-O-Sm","density":5.638125051249245,"density_atomic":0.046692146571795,"volume":642.5063357040409,"volume_molar":12.897545309338494,"formula_full":"Ba6 Sm2 Ir4 O18","formula_reduced":"Ba3SmIr2O9","formula_anonymous":"AB2C3D9","energy":-187.36947372,"energy_per_atom":-6.245649124,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-175.00347372,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9950241,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.200000Z","spacegroup":194},{"id":"mp-753885","created_at":"2022-09-04T14:40:03.993824Z","structure_string":"Li4 Cr2 Co3 Sb3 O16\n1.0\n6.055987 0.000000 0.000000\n-3.026213 5.317928 0.000000\n-0.070518 -0.349524 9.652951\nLi Cr Co Sb O\n4 2 3 3 16\ndirect\n0.659426 0.328324 0.880391 Li\n0.975799 0.950370 0.982224 Li\n0.992123 0.980986 0.505591 Li\n0.328486 0.657934 0.402880 Li\n0.682098 0.350440 0.495164 Cr\n0.340336 0.688109 0.975753 Cr\n0.831778 0.664007 0.215399 Co\n0.168200 0.829862 0.709951 Co\n0.663049 0.841129 0.712775 Co\n0.337291 0.170370 0.214768 Sb\n0.832565 0.170018 0.213665 Sb\n0.176939 0.345530 0.714226 Sb\n0.340145 0.186673 0.595781 O\n0.519210 0.035827 0.339400 O\n0.655772 0.314750 0.099944 O\n0.008756 0.016967 0.318883 O\n0.020545 0.010547 0.802168 O\n0.846896 0.178792 0.598357 O\n0.513082 0.474188 0.340219 O\n0.962874 0.471873 0.339922 O\n0.157516 0.316316 0.101476 O\n0.850725 0.675621 0.600210 O\n0.035552 0.505416 0.848713 O\n0.478247 0.520796 0.848500 O\n0.317701 0.661001 0.606685 O\n0.168331 0.847814 0.102859 O\n0.457957 0.956150 0.841730 O\n0.678300 0.850190 0.100206 O\n","nsites":28,"nelements":5,"elements":["Li","Cr","Co","Sb","O"],"chemical_system":"Co-Cr-Li-O-Sb","density":4.966647992517701,"density_atomic":0.09006800482244737,"volume":310.87621020579826,"volume_molar":6.686215345695234,"formula_full":"Li4 Cr2 Co3 Sb3 O16","formula_reduced":"Li4Cr2Co3Sb3O16","formula_anonymous":"A2B3C3D4E16","energy":-193.58062438,"energy_per_atom":-6.913593727857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-173.67662438,"band_gap":0.2228000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.999999,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.328000Z","spacegroup":1},{"id":"mp-1203881","created_at":"2022-09-04T14:40:00.808940Z","structure_string":"Na2 Tc4 N10 O2 F24\n1.0\n6.252505 0.000000 0.000000\n0.000000 7.481435 0.000000\n0.000000 0.000000 15.475429\nNa Tc N O F\n2 4 10 2 24\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.655759 0.593626 Tc\n0.500000 0.344241 0.406374 Tc\n0.500000 0.155759 0.906374 Tc\n0.500000 0.844241 0.093626 Tc\n0.500000 0.162495 0.637254 N\n0.500000 0.837505 0.362746 N\n0.500000 0.662495 0.862746 N\n0.500000 0.337505 0.137254 N\n0.000000 0.399072 0.787808 N\n0.000000 0.600928 0.212192 N\n0.000000 0.899072 0.712192 N\n0.000000 0.100928 0.287808 N\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.285688 0.524629 0.649398 F\n0.285688 0.475371 0.350602 F\n0.714312 0.024629 0.850602 F\n0.714312 0.975371 0.149398 F\n0.714312 0.475371 0.350602 F\n0.714312 0.524629 0.649398 F\n0.285688 0.975371 0.149398 F\n0.285688 0.024629 0.850602 F\n0.500000 0.813624 0.687857 F\n0.500000 0.186376 0.312143 F\n0.500000 0.313624 0.812143 F\n0.500000 0.686376 0.187857 F\n0.715815 0.805288 0.541693 F\n0.715815 0.194712 0.458307 F\n0.284185 0.305288 0.958307 F\n0.284185 0.694712 0.041693 F\n0.284185 0.194712 0.458307 F\n0.284185 0.805288 0.541693 F\n0.715815 0.694712 0.041693 F\n0.715815 0.305288 0.958307 F\n0.000000 0.058576 0.671352 F\n0.000000 0.941424 0.328648 F\n0.000000 0.558576 0.828648 F\n0.000000 0.441424 0.171352 F\n","nsites":42,"nelements":5,"elements":["Na","Tc","N","O","F"],"chemical_system":"F-N-Na-O-Tc","density":2.445273877547658,"density_atomic":0.058018652576434813,"volume":723.9051259363262,"volume_molar":10.379663250652579,"formula_full":"Na2 Tc4 N10 O2 F24","formula_reduced":"NaTc2N5OF12","formula_anonymous":"ABC2D5E12","energy":-213.32360756000003,"energy_per_atom":-5.079133513333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-200.86160756,"band_gap":0.1247,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":31.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.691000Z","spacegroup":55}]}