{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10243","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10241","results":[{"id":"mp-30130","created_at":"2022-09-04T14:41:56.382998Z","structure_string":"Bi16 I8 O20\n1.0\n5.812325 0.000000 0.000000\n0.000000 11.496946 0.000000\n0.000000 2.702988 14.955898\nBi I O\n16 8 20\ndirect\n0.251322 0.772890 0.147487 Bi\n0.751322 0.227110 0.852513 Bi\n0.752080 0.626834 0.296809 Bi\n0.252080 0.373166 0.703191 Bi\n0.192809 0.729468 0.884648 Bi\n0.692809 0.270532 0.115352 Bi\n0.634069 0.590338 0.041285 Bi\n0.134069 0.409662 0.958715 Bi\n0.161367 0.427830 0.213950 Bi\n0.661367 0.572170 0.786050 Bi\n0.733243 0.265885 0.364069 Bi\n0.233243 0.734115 0.635931 Bi\n0.245060 0.073756 0.539822 Bi\n0.745060 0.926244 0.460178 Bi\n0.741702 0.906644 0.704675 Bi\n0.241702 0.093356 0.295325 Bi\n0.253549 0.776711 0.383989 I\n0.753549 0.223289 0.616011 I\n0.777853 0.608514 0.558082 I\n0.277853 0.391486 0.441918 I\n0.751668 0.943750 0.223532 I\n0.770785 0.879890 0.951922 I\n0.270785 0.120110 0.048078 I\n0.251668 0.056250 0.776468 I\n0.288926 0.689265 0.033460 O\n0.788926 0.310735 0.966540 O\n0.006682 0.638594 0.193398 O\n0.506682 0.361406 0.806602 O\n0.505753 0.638596 0.191055 O\n0.005753 0.361404 0.808945 O\n0.803858 0.446299 0.284615 O\n0.303858 0.553701 0.715385 O\n0.954128 0.421267 0.093218 O\n0.454128 0.578733 0.906782 O\n0.451089 0.420668 0.087225 O\n0.951089 0.579332 0.912775 O\n0.986574 0.923584 0.580267 O\n0.486574 0.076416 0.419733 O\n0.504721 0.921409 0.580842 O\n0.004721 0.078591 0.419158 O\n0.479266 0.248122 0.259665 O\n0.492297 0.756368 0.744605 O\n0.992297 0.243632 0.255395 O\n0.979266 0.751878 0.740335 O\n","nsites":44,"nelements":3,"elements":["Bi","I","O"],"chemical_system":"Bi-I-O","density":7.774078605123105,"density_atomic":0.0440258551329723,"volume":999.4127284320949,"volume_molar":13.678645745349387,"formula_full":"Bi16 I8 O20","formula_reduced":"Bi4I2O5","formula_anonymous":"A2B4C5","energy":-239.17098359,"energy_per_atom":-5.4357041724999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-222.39898359,"band_gap":2.2824,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0100671,"is_theoretical":false,"updated_at":"2021-11-28T01:35:30.666000Z","spacegroup":4},{"id":"mp-1205018","created_at":"2022-09-04T14:41:56.388584Z","structure_string":"Ba2 In4 P8 O28\n1.0\n5.418607 5.540605 0.000000\n-5.418607 5.540605 0.000000\n0.000000 2.355942 9.761216\nBa In P O\n2 4 8 28\ndirect\n0.500000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.447060 0.552940 0.750000 In\n0.552940 0.447060 0.250000 In\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.634330 0.252100 0.560465 P\n0.747900 0.365670 0.939535 P\n0.365670 0.747900 0.439535 P\n0.252100 0.634330 0.060465 P\n0.269294 0.178845 0.700500 P\n0.821155 0.730706 0.799500 P\n0.730706 0.821155 0.299500 P\n0.178845 0.269294 0.200500 P\n0.478337 0.138171 0.662619 O\n0.861829 0.521663 0.837381 O\n0.521663 0.861829 0.337381 O\n0.138171 0.478337 0.162619 O\n0.803727 0.161004 0.593613 O\n0.838996 0.196273 0.906387 O\n0.196273 0.838996 0.406387 O\n0.161004 0.803727 0.093613 O\n0.175691 0.148223 0.584647 O\n0.851777 0.824309 0.915353 O\n0.824309 0.851777 0.415353 O\n0.148223 0.175691 0.084647 O\n0.222500 0.049515 0.834480 O\n0.950485 0.777500 0.665520 O\n0.777500 0.950485 0.165520 O\n0.049515 0.222500 0.334480 O\n0.252809 0.373006 0.714532 O\n0.626994 0.747191 0.785468 O\n0.747191 0.626994 0.285468 O\n0.373006 0.252809 0.214532 O\n0.563235 0.363849 0.900950 O\n0.636151 0.436765 0.599050 O\n0.436765 0.636151 0.099050 O\n0.363849 0.563235 0.400950 O\n0.253190 0.611900 0.912790 O\n0.388100 0.746810 0.587210 O\n0.746810 0.388100 0.087210 O\n0.611900 0.253190 0.412790 O\n","nsites":42,"nelements":4,"elements":["Ba","In","P","O"],"chemical_system":"Ba-In-O-P","density":4.05055971126653,"density_atomic":0.07165896452615951,"volume":586.1095018288697,"volume_molar":8.40389028758793,"formula_full":"Ba2 In4 P8 O28","formula_reduced":"BaIn2(P2O7)2","formula_anonymous":"AB2C4D14","energy":-310.63570596,"energy_per_atom":-7.396088237142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-291.39970596,"band_gap":4.0048,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.003627,"is_theoretical":false,"updated_at":"2021-11-28T01:35:37.355000Z","spacegroup":15},{"id":"mp-760316","created_at":"2022-09-04T14:41:56.426886Z","structure_string":"Li6 V2 Fe6 O16\n1.0\n-2.951726 5.107461 -0.007976\n-5.907884 -0.001881 -0.002039\n-0.014259 0.017370 9.621805\nLi V Fe O\n6 2 6 16\ndirect\n0.825039 0.825126 0.943222 Li\n0.350645 0.824058 0.942790 Li\n0.823886 0.350973 0.942889 Li\n0.175010 0.649656 0.443016 Li\n0.649595 0.174919 0.442878 Li\n0.175549 0.175026 0.442517 Li\n0.666949 0.665769 0.490612 V\n0.332417 0.331732 0.990589 V\n0.832693 0.831385 0.212536 Fe\n0.337924 0.828323 0.213267 Fe\n0.829137 0.337620 0.213725 Fe\n0.167237 0.663143 0.712780 Fe\n0.662779 0.166837 0.713277 Fe\n0.169313 0.168270 0.713470 Fe\n0.001220 0.000761 0.321373 O\n0.833307 0.833124 0.591172 O\n0.520987 0.960051 0.348139 O\n0.961735 0.520145 0.347683 O\n0.337722 0.830733 0.590956 O\n0.667400 0.666194 0.096481 O\n0.518479 0.518697 0.346803 O\n0.829553 0.338827 0.590565 O\n0.167577 0.667145 0.090932 O\n0.478891 0.479854 0.848756 O\n0.037020 0.482622 0.847341 O\n0.000380 0.000753 0.821039 O\n0.333146 0.332993 0.596372 O\n0.664439 0.168504 0.092007 O\n0.481327 0.037698 0.846878 O\n0.171604 0.169053 0.089540 O\n","nsites":30,"nelements":4,"elements":["Li","V","Fe","O"],"chemical_system":"Fe-Li-O-V","density":4.200674111783167,"density_atomic":0.10331098214916386,"volume":290.3853915228973,"volume_molar":5.829139007995328,"formula_full":"Li6 V2 Fe6 O16","formula_reduced":"Li3VFe3O8","formula_anonymous":"AB3C3D8","energy":-220.08049507,"energy_per_atom":-7.336016502333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-192.15249507,"band_gap":0.8508999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":31.9999285,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.111000Z","spacegroup":186},{"id":"mp-1999","created_at":"2022-09-04T14:41:56.427105Z","structure_string":"Sb8 O12\n1.0\n0.000000 5.745558 5.745558\n5.745558 0.000000 5.745558\n5.745558 5.745558 0.000000\nSb O\n8 12\ndirect\n0.912567 0.362478 0.362478 Sb\n0.887522 0.337433 0.887522 Sb\n0.887522 0.887522 0.337433 Sb\n0.887522 0.887522 0.887522 Sb\n0.362478 0.362478 0.912567 Sb\n0.362478 0.362478 0.362478 Sb\n0.362478 0.912567 0.362478 Sb\n0.337433 0.887522 0.887522 Sb\n0.814911 0.814911 0.185089 O\n0.064911 0.064911 0.435089 O\n0.185089 0.814911 0.185089 O\n0.185089 0.814911 0.814911 O\n0.814911 0.185089 0.185089 O\n0.814911 0.185089 0.814911 O\n0.064911 0.435089 0.064911 O\n0.435089 0.064911 0.435089 O\n0.185089 0.185089 0.814911 O\n0.435089 0.064911 0.064911 O\n0.064911 0.435089 0.435089 O\n0.435089 0.435089 0.064911 O\n","nsites":20,"nelements":2,"elements":["Sb","O"],"chemical_system":"O-Sb","density":5.104440285129293,"density_atomic":0.052723394128884764,"volume":379.33824880676457,"volume_molar":11.422141649831191,"formula_full":"Sb8 O12","formula_reduced":"Sb2O3","formula_anonymous":"A2B3","energy":-127.27254593,"energy_per_atom":-6.363627296500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-119.02854593,"band_gap":3.3408,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.6e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:37.708000Z","spacegroup":227},{"id":"mp-1196193","created_at":"2022-09-04T14:41:56.446337Z","structure_string":"Fe1 Sn4 H24 C8 Se10 N2\n1.0\n-5.228524 5.228524 8.165815\n5.228524 -5.228524 8.165815\n5.228524 5.228524 -8.165815\nFe Sn H C Se N\n1 4 24 8 10 2\ndirect\n0.500000 0.500000 0.000000 Fe\n0.404420 0.653000 0.377105 Sn\n0.275896 0.027315 0.622895 Sn\n0.347000 0.724104 0.751419 Sn\n0.972685 0.595580 0.248581 Sn\n0.956396 0.426762 0.701332 H\n0.725430 0.255063 0.298668 H\n0.573238 0.274570 0.529634 H\n0.744937 0.043604 0.470366 H\n0.790876 0.474526 0.582078 H\n0.892448 0.208798 0.417922 H\n0.525474 0.107552 0.316349 H\n0.791202 0.209124 0.683651 H\n0.819820 0.457102 0.749348 H\n0.707754 0.070472 0.250652 H\n0.542898 0.292246 0.362718 H\n0.929528 0.180180 0.637282 H\n0.891071 0.767000 0.839793 H\n0.927206 0.051277 0.160207 H\n0.233000 0.072794 0.124071 H\n0.948723 0.108929 0.875929 H\n0.086650 0.811590 0.924368 H\n0.887222 0.162282 0.075632 H\n0.188410 0.112778 0.275060 H\n0.837718 0.913350 0.724940 H\n0.040939 0.850531 0.074036 H\n0.776495 0.966903 0.925964 H\n0.149469 0.223505 0.190408 H\n0.033097 0.959061 0.809592 H\n0.836229 0.415183 0.645024 C\n0.770159 0.191205 0.354976 C\n0.584817 0.229841 0.421046 C\n0.808795 0.163771 0.578954 C\n0.005143 0.845252 0.956139 C\n0.889113 0.049004 0.043861 C\n0.154748 0.110887 0.159891 C\n0.950996 0.994857 0.840109 C\n0.126644 0.481405 0.118054 Se\n0.363351 0.008590 0.881946 Se\n0.518595 0.636649 0.645239 Se\n0.991410 0.873356 0.354761 Se\n0.435799 0.935799 0.500000 Se\n0.064201 0.564201 0.500000 Se\n0.578022 0.556083 0.281715 Se\n0.274368 0.296307 0.718285 Se\n0.443917 0.725632 0.021939 Se\n0.703693 0.421978 0.978061 Se\n0.750000 0.250000 0.500000 N\n0.000000 0.000000 0.000000 N\n","nsites":49,"nelements":6,"elements":["Fe","Sn","H","C","Se","N"],"chemical_system":"C-Fe-H-N-Se-Sn","density":2.7310355822349734,"density_atomic":0.05487548105293941,"volume":892.9306688487848,"volume_molar":10.974192197404752,"formula_full":"Fe1 Sn4 H24 C8 Se10 N2","formula_reduced":"FeSn4H24C8(Se5N)2","formula_anonymous":"AB2C4D8E10F24","energy":-246.5623966,"energy_per_atom":-5.031885644897959,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-241.1203966,"band_gap":0.3086,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9970873,"is_theoretical":false,"updated_at":"2021-11-28T01:35:33.591000Z","spacegroup":82},{"id":"mp-21137","created_at":"2022-09-04T14:41:56.457806Z","structure_string":"Ca4 Pb2 O8\n1.0\n3.426570 0.000000 0.000000\n0.000000 5.901089 0.000000\n0.000000 0.000000 9.907644\nCa Pb O\n4 2 8\ndirect\n0.500000 0.427291 0.817947 Ca\n0.500000 0.572709 0.182053 Ca\n0.500000 0.927291 0.682053 Ca\n0.500000 0.072709 0.317947 Ca\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.140633 0.799083 O\n0.000000 0.859367 0.200917 O\n0.000000 0.640633 0.700917 O\n0.000000 0.359367 0.299083 O\n0.500000 0.259626 0.549039 O\n0.500000 0.740374 0.450961 O\n0.500000 0.240374 0.049039 O\n0.500000 0.759626 0.950961 O\n","nsites":14,"nelements":3,"elements":["Ca","Pb","O"],"chemical_system":"Ca-O-Pb","density":5.824536010860793,"density_atomic":0.0698820874806745,"volume":200.33746135405045,"volume_molar":8.61757422696537,"formula_full":"Ca4 Pb2 O8","formula_reduced":"Ca2PbO4","formula_anonymous":"AB2C4","energy":-90.74686884,"energy_per_atom":-6.481919202857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.25086884,"band_gap":1.4813,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037355,"is_theoretical":false,"updated_at":"2021-11-28T01:35:40.024000Z","spacegroup":55},{"id":"mp-1026736","created_at":"2022-09-04T14:41:56.499312Z","structure_string":"Sr1 Ce1 Mg14\n1.0\n6.718440 0.000000 0.000000\n-3.359220 5.818339 0.000000\n0.000000 0.000000 10.516729\nSr Ce Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Sr\n0.166667 0.333333 0.125000 Ce\n0.176394 0.838197 0.125000 Mg\n0.177179 0.838589 0.625000 Mg\n0.661803 0.323606 0.125000 Mg\n0.661411 0.322821 0.625000 Mg\n0.661803 0.838197 0.125000 Mg\n0.661411 0.838589 0.625000 Mg\n0.340914 0.159086 0.370401 Mg\n0.340914 0.159086 0.879599 Mg\n0.340914 0.681829 0.370401 Mg\n0.340914 0.681829 0.879599 Mg\n0.818171 0.159086 0.370401 Mg\n0.818171 0.159086 0.879599 Mg\n0.833333 0.666667 0.372578 Mg\n0.833333 0.666667 0.877422 Mg\n","nsites":16,"nelements":3,"elements":["Sr","Ce","Mg"],"chemical_system":"Ce-Mg-Sr","density":2.294319379043128,"density_atomic":0.03891991071578336,"volume":411.10063475843106,"volume_molar":15.473161806503878,"formula_full":"Sr1 Ce1 Mg14","formula_reduced":"SrCeMg14","formula_anonymous":"ABC14","energy":-29.01588273,"energy_per_atom":-1.813492670625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.01588273,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.430853,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.668000Z","spacegroup":187},{"id":"mp-1080231","created_at":"2022-09-04T14:41:56.595833Z","structure_string":"Cs1 Tl1 Cl3\n1.0\n5.579830 0.000250 -0.000021\n0.001248 5.579950 0.001871\n0.000277 -0.001194 5.580080\nCs Tl Cl\n1 1 3\ndirect\n0.001043 0.005500 0.001888 Cs\n0.500293 0.513340 0.502908 Tl\n0.000027 0.515064 0.505491 Cl\n0.496867 0.013619 0.497230 Cl\n0.501773 0.512475 0.002483 Cl\n","nsites":5,"nelements":3,"elements":["Cs","Tl","Cl"],"chemical_system":"Cl-Cs-Tl","density":4.240290935156971,"density_atomic":0.02877917083353971,"volume":173.7367636100523,"volume_molar":20.925344912931614,"formula_full":"Cs1 Tl1 Cl3","formula_reduced":"CsTlCl3","formula_anonymous":"ABC3","energy":-17.0850053,"energy_per_atom":-3.4170010599999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.2430053,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004426,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.717000Z","spacegroup":8},{"id":"mp-1204434","created_at":"2022-09-04T14:41:56.404178Z","structure_string":"Fe2 P6 O24\n1.0\n8.941277 -4.069680 0.000000\n8.941277 4.069680 0.000000\n7.088936 0.000000 6.801156\nFe P O\n2 6 24\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.604470 0.895530 0.250000 P\n0.250000 0.604470 0.895530 P\n0.895530 0.250000 0.604470 P\n0.750000 0.395530 0.104470 P\n0.104470 0.750000 0.395530 P\n0.395530 0.104470 0.750000 P\n0.804088 0.878946 0.183129 O\n0.183129 0.804088 0.878946 O\n0.878946 0.183129 0.804088 O\n0.683129 0.378946 0.304088 O\n0.304088 0.683129 0.378946 O\n0.378946 0.304088 0.683129 O\n0.195912 0.121054 0.816871 O\n0.816871 0.195912 0.121054 O\n0.121054 0.816871 0.195912 O\n0.316871 0.621054 0.695912 O\n0.695912 0.316871 0.621054 O\n0.621054 0.695912 0.316871 O\n0.446069 0.983539 0.408667 O\n0.408667 0.446069 0.983539 O\n0.983539 0.408667 0.446069 O\n0.908667 0.483539 0.946069 O\n0.946069 0.908667 0.483539 O\n0.483539 0.946069 0.908667 O\n0.553931 0.016461 0.591333 O\n0.591333 0.553931 0.016461 O\n0.016461 0.591333 0.553931 O\n0.091333 0.516461 0.053931 O\n0.053931 0.091333 0.516461 O\n0.516461 0.053931 0.091333 O\n","nsites":32,"nelements":3,"elements":["Fe","P","O"],"chemical_system":"Fe-O-P","density":2.2864093860096997,"density_atomic":0.06465132571599343,"volume":494.96278143734725,"volume_molar":9.314798564927564,"formula_full":"Fe2 P6 O24","formula_reduced":"Fe(PO4)3","formula_anonymous":"AB3C12","energy":-218.40882769,"energy_per_atom":-6.8252758653125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-197.40882769,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0371736,"is_theoretical":false,"updated_at":"2021-11-28T01:35:27.319000Z","spacegroup":167},{"id":"mp-1197625","created_at":"2022-09-04T14:41:56.404949Z","structure_string":"Li4 Ce16 Ge16\n1.0\n7.386495 0.000000 0.000000\n0.000000 7.996489 0.000000\n0.000000 0.000000 15.029673\nLi Ce Ge\n4 16 16\ndirect\n0.657612 0.970547 0.750000 Li\n0.157612 0.529453 0.750000 Li\n0.342388 0.029453 0.250000 Li\n0.842388 0.470547 0.250000 Li\n0.519881 0.314021 0.097498 Ce\n0.019881 0.185979 0.402502 Ce\n0.480119 0.685979 0.597498 Ce\n0.980119 0.814021 0.902502 Ce\n0.480119 0.685979 0.902502 Ce\n0.980119 0.814021 0.597498 Ce\n0.519881 0.314021 0.402502 Ce\n0.019881 0.185979 0.097498 Ce\n0.824879 0.319733 0.628108 Ce\n0.324879 0.180267 0.871892 Ce\n0.175121 0.680267 0.128108 Ce\n0.675121 0.819733 0.371892 Ce\n0.175121 0.680267 0.371892 Ce\n0.675121 0.819733 0.128108 Ce\n0.824879 0.319733 0.871892 Ce\n0.324879 0.180267 0.628108 Ce\n0.662117 0.030767 0.535815 Ge\n0.162117 0.469233 0.964185 Ge\n0.337883 0.969233 0.035815 Ge\n0.837883 0.530767 0.464185 Ge\n0.337883 0.969233 0.464185 Ge\n0.837883 0.530767 0.035815 Ge\n0.662117 0.030767 0.964185 Ge\n0.162117 0.469233 0.535815 Ge\n0.512464 0.422156 0.750000 Ge\n0.012464 0.077844 0.750000 Ge\n0.487536 0.577844 0.250000 Ge\n0.987536 0.922156 0.250000 Ge\n0.775535 0.635574 0.750000 Ge\n0.275535 0.864426 0.750000 Ge\n0.224465 0.364426 0.250000 Ge\n0.724465 0.135574 0.250000 Ge\n","nsites":36,"nelements":3,"elements":["Li","Ce","Ge"],"chemical_system":"Ce-Ge-Li","density":6.419354744393992,"density_atomic":0.04055227437625837,"volume":887.7430564307995,"volume_molar":14.850315679274717,"formula_full":"Li4 Ce16 Ge16","formula_reduced":"Li(CeGe)4","formula_anonymous":"AB4C4","energy":-200.76730246,"energy_per_atom":-5.576869512777778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-200.76730246,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.1234909,"is_theoretical":false,"updated_at":"2021-11-28T01:35:33.201000Z","spacegroup":62},{"id":"mp-1042222","created_at":"2022-09-04T14:41:56.407219Z","structure_string":"Ba2 Al1 Ag3 O8\n1.0\n4.016834 0.000000 0.000000\n0.000000 4.016834 0.000000\n0.000000 0.000000 12.679774\nBa Al Ag O\n2 1 3 8\ndirect\n0.500000 0.500000 0.158305 Ba\n0.500000 0.500000 0.841695 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.358143 Ag\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.641857 Ag\n0.000000 0.500000 0.405560 O\n0.500000 0.000000 0.405560 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.166627 O\n0.000000 0.500000 0.594440 O\n0.500000 0.000000 0.594440 O\n0.000000 0.000000 0.833373 O\n0.000000 0.500000 0.000000 O\n","nsites":14,"nelements":4,"elements":["Ba","Al","Ag","O"],"chemical_system":"Ag-Al-Ba-O","density":6.113649023196891,"density_atomic":0.06843034884491016,"volume":204.5875877635734,"volume_molar":8.800394651864947,"formula_full":"Ba2 Al1 Ag3 O8","formula_reduced":"Ba2AlAg3O8","formula_anonymous":"AB2C3D8","energy":-75.23764442999999,"energy_per_atom":-5.3741174592857135,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.74164443,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.46e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:30.486000Z","spacegroup":123},{"id":"mp-26756","created_at":"2022-09-04T14:41:56.414477Z","structure_string":"Fe8 P14 O48\n1.0\n10.286359 0.000000 0.000000\n-2.671081 10.011379 0.000000\n-3.949709 -4.636773 8.885112\nFe P O\n8 14 48\ndirect\n0.499557 0.098935 0.260116 Fe\n0.999260 0.618963 0.922761 Fe\n0.488641 0.336457 0.115155 Fe\n0.012420 0.174104 0.587466 Fe\n0.987580 0.825896 0.412534 Fe\n0.511359 0.663543 0.884845 Fe\n0.000740 0.381037 0.077239 Fe\n0.500443 0.901065 0.739884 Fe\n0.750918 0.539634 0.049157 P\n0.249082 0.460366 0.950843 P\n0.270780 0.823240 0.884543 P\n0.748860 0.607775 0.476246 P\n0.729220 0.176760 0.115457 P\n0.740325 0.965397 0.241728 P\n0.804647 0.059392 0.739289 P\n0.807027 0.377882 0.566920 P\n0.770064 0.780110 0.770591 P\n0.192973 0.622118 0.433080 P\n0.195353 0.940608 0.260711 P\n0.259675 0.034603 0.758272 P\n0.251140 0.392225 0.523754 P\n0.229936 0.219890 0.229409 P\n0.882492 0.741092 0.867564 O\n0.119685 0.791925 0.120453 O\n0.370584 0.014905 0.334414 O\n0.361266 0.938844 0.048328 O\n0.635852 0.276892 0.460155 O\n0.843348 0.442604 0.730349 O\n0.346663 0.431589 0.077049 O\n0.364604 0.217494 0.199608 O\n0.880315 0.208075 0.879547 O\n0.629416 0.985095 0.665586 O\n0.638734 0.061156 0.951672 O\n0.117508 0.258908 0.132436 O\n0.364148 0.723108 0.539845 O\n0.156652 0.557396 0.269651 O\n0.653337 0.568411 0.922951 O\n0.635396 0.782506 0.800392 O\n0.152036 0.477001 0.467020 O\n0.369569 0.003918 0.701639 O\n0.310576 0.338361 0.404648 O\n0.137159 0.058991 0.208896 O\n0.141989 0.928421 0.371512 O\n0.392789 0.498703 0.673711 O\n0.873532 0.499821 0.010734 O\n0.087325 0.693372 0.460115 O\n0.862824 0.316111 0.155236 O\n0.339908 0.175663 0.906699 O\n0.186421 0.895565 0.786200 O\n0.147131 0.251275 0.511334 O\n0.117500 0.024562 0.630427 O\n0.380595 0.783236 0.824882 O\n0.362553 0.588993 0.948860 O\n0.839943 0.677509 0.204539 O\n0.160057 0.322491 0.795461 O\n0.637447 0.411007 0.051140 O\n0.619405 0.216764 0.175118 O\n0.882500 0.975438 0.369573 O\n0.852869 0.748725 0.488666 O\n0.813579 0.104435 0.213800 O\n0.660092 0.824337 0.093301 O\n0.137176 0.683889 0.844764 O\n0.912675 0.306628 0.539885 O\n0.126468 0.500179 0.989266 O\n0.607211 0.501297 0.326289 O\n0.858011 0.071579 0.628488 O\n0.862841 0.941009 0.791104 O\n0.847964 0.522999 0.532980 O\n0.630431 0.996082 0.298361 O\n0.689424 0.661639 0.595352 O\n","nsites":70,"nelements":3,"elements":["Fe","P","O"],"chemical_system":"Fe-O-P","density":2.9914634226646544,"density_atomic":0.07650319153399733,"volume":914.9945067179665,"volume_molar":7.8717510201176575,"formula_full":"Fe8 P14 O48","formula_reduced":"Fe4P7O24","formula_anonymous":"A4B7C24","energy":-546.5723796899999,"energy_per_atom":-7.8081768527142845,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-495.54837969,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":42.0034577,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.965000Z","spacegroup":2}]}