{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10147","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10145","results":[{"id":"mp-1112542","created_at":"2022-09-04T14:39:09.243236Z","structure_string":"Cs2 Tl2 I6\n1.0\n0.000000 6.315359 6.315359\n6.315359 0.000000 6.315359\n6.315359 6.315359 0.000000\nCs Tl I\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.757619 0.242381 0.242381 I\n0.242381 0.242381 0.757619 I\n0.242381 0.757619 0.757619 I\n0.242381 0.757619 0.242381 I\n0.757619 0.242381 0.757619 I\n0.757619 0.757619 0.242381 I\n","nsites":10,"nelements":3,"elements":["Cs","Tl","I"],"chemical_system":"Cs-I-Tl","density":4.7334818856371115,"density_atomic":0.019850702214207264,"volume":503.7605164840436,"volume_molar":30.337167395972106,"formula_full":"Cs2 Tl2 I6","formula_reduced":"CsTlI3","formula_anonymous":"ABC3","energy":-26.47737672,"energy_per_atom":-2.647737672,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.20337672,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013967,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.167000Z","spacegroup":225},{"id":"mp-1206774","created_at":"2022-09-04T14:39:09.262035Z","structure_string":"Mn3 As1 N1\n1.0\n3.826193 0.000000 0.000000\n0.000000 3.826193 0.000000\n0.000000 0.000000 3.826193\nMn As N\n3 1 1\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 N\n","nsites":5,"nelements":3,"elements":["Mn","As","N"],"chemical_system":"As-Mn-N","density":7.52214294494203,"density_atomic":0.08926256983175938,"volume":56.01451996535521,"volume_molar":6.746546476703989,"formula_full":"Mn3 As1 N1","formula_reduced":"Mn3AsN","formula_anonymous":"ABC3","energy":-41.3813766,"energy_per_atom":-8.27627532,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.0203766,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.4699219,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.412000Z","spacegroup":221},{"id":"mp-1226603","created_at":"2022-09-04T14:39:09.384221Z","structure_string":"Ce1 Ga3 Ni1\n1.0\n3.004285 3.006059 0.000000\n-3.004285 3.006059 0.000000\n0.000000 3.006059 5.074412\nCe Ga Ni\n1 3 1\ndirect\n0.004041 0.004041 0.991917 Ce\n0.754665 0.254665 0.490669 Ga\n0.254665 0.754665 0.490669 Ga\n0.591949 0.591949 0.816101 Ga\n0.363679 0.363679 0.272643 Ni\n","nsites":5,"nelements":3,"elements":["Ce","Ga","Ni"],"chemical_system":"Ce-Ga-Ni","density":7.39148869748196,"density_atomic":0.05455262506246411,"volume":91.65461779840797,"volume_molar":11.03914019372028,"formula_full":"Ce1 Ga3 Ni1","formula_reduced":"CeGa3Ni","formula_anonymous":"ABC3","energy":-23.747706099999995,"energy_per_atom":-4.749541219999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.747706099999995,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0412975,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.322000Z","spacegroup":107},{"id":"mp-21216","created_at":"2022-09-04T14:39:09.394344Z","structure_string":"Al8 Fe8 O24\n1.0\n5.044116 0.000000 0.000000\n0.000000 8.669206 0.000000\n0.000000 0.000000 9.376979\nAl Fe O\n8 8 24\ndirect\n0.818233 0.836777 0.303332 Al\n0.181767 0.163223 0.803332 Al\n0.681767 0.336777 0.803332 Al\n0.318233 0.663223 0.303332 Al\n0.168772 0.845380 0.002023 Al\n0.831228 0.154620 0.502023 Al\n0.331228 0.345380 0.502023 Al\n0.668772 0.654620 0.002023 Al\n0.667761 0.970867 0.801314 Fe\n0.332239 0.029133 0.301314 Fe\n0.832239 0.470867 0.301314 Fe\n0.167761 0.529133 0.801314 Fe\n0.184255 0.850664 0.581037 Fe\n0.815745 0.149336 0.081037 Fe\n0.315745 0.350664 0.081037 Fe\n0.684255 0.649336 0.581037 Fe\n0.500361 0.825513 0.943500 O\n0.499639 0.174487 0.443500 O\n0.999639 0.325513 0.443500 O\n0.000361 0.674487 0.943500 O\n0.836153 0.831010 0.671856 O\n0.163847 0.168990 0.171856 O\n0.663847 0.331010 0.171856 O\n0.336153 0.668990 0.671856 O\n0.146218 0.834047 0.194634 O\n0.853782 0.165953 0.694634 O\n0.353782 0.334047 0.694634 O\n0.646218 0.665953 0.194634 O\n0.665553 0.992374 0.201606 O\n0.334447 0.007626 0.701606 O\n0.834447 0.492374 0.701606 O\n0.165553 0.507626 0.201606 O\n0.480639 0.820381 0.415902 O\n0.519361 0.179619 0.915902 O\n0.019361 0.320381 0.915902 O\n0.980639 0.679619 0.415902 O\n0.496908 0.510211 0.429166 O\n0.003092 0.010211 0.929166 O\n0.503092 0.489789 0.929166 O\n0.996908 0.989789 0.429166 O\n","nsites":40,"nelements":3,"elements":["Al","Fe","O"],"chemical_system":"Al-Fe-O","density":4.238396948650082,"density_atomic":0.0975512097462961,"volume":410.0410451498143,"volume_molar":6.173312228174243,"formula_full":"Al8 Fe8 O24","formula_reduced":"AlFeO3","formula_anonymous":"ABC3","energy":-317.39045426,"energy_per_atom":-7.9347613565,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-282.85445426,"band_gap":1.6518000000000006,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":40.0036148,"is_theoretical":false,"updated_at":"2021-11-28T01:34:23.843000Z","spacegroup":33},{"id":"mp-1209166","created_at":"2022-09-04T14:48:27.465560Z","structure_string":"Rb4 Tm4 I12\n1.0\n4.321601 0.000000 0.000000\n0.000000 10.245713 0.000000\n0.000000 0.000000 17.966225\nRb Tm I\n4 4 12\ndirect\n0.250000 0.929587 0.172423 Rb\n0.750000 0.070413 0.827577 Rb\n0.750000 0.570413 0.672423 Rb\n0.250000 0.429587 0.327577 Rb\n0.250000 0.622042 0.957288 Tm\n0.750000 0.377958 0.042712 Tm\n0.750000 0.877958 0.457288 Tm\n0.250000 0.122042 0.542712 Tm\n0.250000 0.546690 0.123744 I\n0.750000 0.453310 0.876256 I\n0.750000 0.953310 0.623744 I\n0.250000 0.046690 0.376256 I\n0.250000 0.675690 0.502747 I\n0.750000 0.324310 0.497253 I\n0.750000 0.824310 0.002747 I\n0.250000 0.175690 0.997253 I\n0.250000 0.770215 0.806014 I\n0.750000 0.229785 0.193986 I\n0.750000 0.729785 0.306014 I\n0.250000 0.270215 0.693986 I\n","nsites":20,"nelements":3,"elements":["Rb","Tm","I"],"chemical_system":"I-Rb-Tm","density":5.3029564183113,"density_atomic":0.025141217643756937,"volume":795.5064183204506,"volume_molar":23.95325813304598,"formula_full":"Rb4 Tm4 I12","formula_reduced":"RbTmI3","formula_anonymous":"ABC3","energy":-69.87214643,"energy_per_atom":-3.4936073215,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.32414643,"band_gap":0.2353000000000005,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0006406,"is_theoretical":true,"updated_at":"2021-11-28T01:39:46.756000Z","spacegroup":62},{"id":"mp-31119","created_at":"2022-09-04T14:48:27.430626Z","structure_string":"Tb4 Sc4 O12\n1.0\n5.473338 0.000000 0.000000\n0.000000 5.763304 0.000000\n0.000000 0.000000 7.999527\nTb Sc O\n4 4 12\ndirect\n0.980133 0.062008 0.750000 Tb\n0.480133 0.437992 0.250000 Tb\n0.519867 0.562008 0.750000 Tb\n0.019867 0.937992 0.250000 Tb\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.692011 0.305585 0.567275 O\n0.192011 0.194415 0.432725 O\n0.807989 0.805585 0.932725 O\n0.307989 0.694415 0.067275 O\n0.307989 0.694415 0.432725 O\n0.807989 0.805585 0.567275 O\n0.192011 0.194415 0.067275 O\n0.692011 0.305585 0.932725 O\n0.871692 0.555109 0.250000 O\n0.371692 0.944891 0.750000 O\n0.628308 0.055109 0.250000 O\n0.128308 0.444891 0.750000 O\n","nsites":20,"nelements":3,"elements":["Tb","Sc","O"],"chemical_system":"O-Sc-Tb","density":6.630003241388461,"density_atomic":0.07925777762042271,"volume":252.3411657564129,"volume_molar":7.598170098638051,"formula_full":"Tb4 Sc4 O12","formula_reduced":"TbScO3","formula_anonymous":"ABC3","energy":-182.3979111,"energy_per_atom":-9.119895555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-174.1539111,"band_gap":4.4378,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005947,"is_theoretical":false,"updated_at":"2021-11-28T01:39:19.631000Z","spacegroup":62},{"id":"mp-1259818","created_at":"2022-09-04T14:48:27.371209Z","structure_string":"Al4 Fe4 O12\n1.0\n4.982323 -0.009806 0.013287\n-0.010363 5.001314 -0.044300\n0.021673 -0.073378 7.943088\nAl Fe O\n4 4 12\ndirect\n0.981686 0.993907 0.753232 Al\n0.485367 0.507819 0.256271 Al\n0.514745 0.492101 0.743093 Al\n0.017939 0.006363 0.246437 Al\n0.000374 0.500392 0.499968 Fe\n0.499883 0.000162 0.499901 Fe\n0.500045 0.999671 0.999820 Fe\n0.000082 0.499476 0.999953 Fe\n0.655906 0.334096 0.421315 O\n0.157585 0.167631 0.589950 O\n0.845687 0.832064 0.074579 O\n0.337179 0.661870 0.914167 O\n0.343657 0.667583 0.579180 O\n0.842705 0.833618 0.410432 O\n0.153810 0.166746 0.925787 O\n0.663542 0.336211 0.085827 O\n0.149411 0.352768 0.259817 O\n0.642010 0.142852 0.753705 O\n0.357792 0.857257 0.246274 O\n0.850599 0.647413 0.740293 O\n","nsites":20,"nelements":3,"elements":["Al","Fe","O"],"chemical_system":"Al-Fe-O","density":4.390702550514783,"density_atomic":0.10105668502221883,"volume":197.90872811237276,"volume_molar":5.959171091626389,"formula_full":"Al4 Fe4 O12","formula_reduced":"AlFeO3","formula_anonymous":"ABC3","energy":-155.36181806,"energy_per_atom":-7.768090902999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-138.09381806,"band_gap":1.3607999999999991,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0000811,"is_theoretical":true,"updated_at":"2021-11-28T01:39:13.557000Z","spacegroup":14},{"id":"mp-567629","created_at":"2022-09-04T14:48:27.374139Z","structure_string":"Cs4 Pb4 Br12\n1.0\n8.370366 0.000000 0.000000\n0.000000 8.425335 0.000000\n0.000000 0.000000 12.011295\nCs Pb Br\n4 4 12\ndirect\n0.508313 0.468185 0.250000 Cs\n0.008313 0.031815 0.750000 Cs\n0.991687 0.968185 0.250000 Cs\n0.491687 0.531815 0.750000 Cs\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.000000 Pb\n0.548245 0.993708 0.750000 Br\n0.048245 0.506292 0.250000 Br\n0.794808 0.205386 0.025688 Br\n0.205192 0.794614 0.974312 Br\n0.294808 0.294614 0.974312 Br\n0.705192 0.705386 0.025688 Br\n0.294808 0.294614 0.525688 Br\n0.705192 0.705386 0.474312 Br\n0.205192 0.794614 0.525688 Br\n0.794808 0.205386 0.474312 Br\n0.951755 0.493708 0.750000 Br\n0.451755 0.006292 0.250000 Br\n","nsites":20,"nelements":3,"elements":["Cs","Pb","Br"],"chemical_system":"Br-Cs-Pb","density":4.546517972838242,"density_atomic":0.023610682224244044,"volume":847.0742103107675,"volume_molar":25.506000643286423,"formula_full":"Cs4 Pb4 Br12","formula_reduced":"CsPbBr3","formula_anonymous":"ABC3","energy":-70.78784329,"energy_per_atom":-3.5393921644999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.37984329,"band_gap":2.0121,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0022488,"is_theoretical":false,"updated_at":"2021-11-28T01:39:20.654000Z","spacegroup":62},{"id":"mp-2951","created_at":"2022-09-04T14:48:27.292330Z","structure_string":"Cd4 Ge4 O12\n1.0\n4.938937 5.189353 0.000000\n-4.938937 5.189353 0.000000\n0.000000 1.233964 5.344075\nCd Ge O\n4 4 12\ndirect\n0.712385 0.287615 0.750000 Cd\n0.287615 0.712385 0.250000 Cd\n0.097628 0.902372 0.750000 Cd\n0.902372 0.097628 0.250000 Cd\n0.206702 0.383286 0.773035 Ge\n0.616714 0.793298 0.726965 Ge\n0.793298 0.616714 0.226965 Ge\n0.383286 0.206702 0.273035 Ge\n0.393112 0.856083 0.870182 O\n0.143917 0.606888 0.629818 O\n0.606888 0.143917 0.129818 O\n0.856083 0.393112 0.370182 O\n0.700233 0.595516 0.941837 O\n0.404484 0.299767 0.558163 O\n0.299767 0.404484 0.058163 O\n0.595516 0.700233 0.441837 O\n0.213618 0.028468 0.346763 O\n0.971532 0.786382 0.153237 O\n0.786382 0.971532 0.653237 O\n0.028468 0.213618 0.846763 O\n","nsites":20,"nelements":3,"elements":["Cd","Ge","O"],"chemical_system":"Cd-Ge-O","density":5.650767836451584,"density_atomic":0.07300973211869434,"volume":273.93608248672024,"volume_molar":8.24840823989,"formula_full":"Cd4 Ge4 O12","formula_reduced":"CdGeO3","formula_anonymous":"ABC3","energy":-118.84851097,"energy_per_atom":-5.9424255485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.60451097,"band_gap":1.5369000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.2e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:39:26.259000Z","spacegroup":15},{"id":"mp-18769","created_at":"2022-09-04T14:39:09.594025Z","structure_string":"Ce4 V4 O12\n1.0\n5.436299 0.000000 0.000000\n0.000000 5.799305 0.000000\n0.000000 0.000000 7.837430\nCe V O\n4 4 12\ndirect\n0.520103 0.568632 0.250000 Ce\n0.020103 0.931368 0.750000 Ce\n0.479897 0.431368 0.750000 Ce\n0.979897 0.068632 0.250000 Ce\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.189254 0.193524 0.560389 O\n0.689254 0.306476 0.439611 O\n0.810746 0.806476 0.439611 O\n0.310746 0.693524 0.560389 O\n0.810746 0.806476 0.060389 O\n0.310746 0.693524 0.939611 O\n0.189254 0.193524 0.939611 O\n0.689254 0.306476 0.060389 O\n0.118599 0.454017 0.250000 O\n0.618599 0.045983 0.750000 O\n0.881401 0.545983 0.750000 O\n0.381401 0.954017 0.250000 O\n","nsites":20,"nelements":3,"elements":["Ce","V","O"],"chemical_system":"Ce-O-V","density":6.426214711827085,"density_atomic":0.08094257857474071,"volume":247.0887430591603,"volume_molar":7.440015954568683,"formula_full":"Ce4 V4 O12","formula_reduced":"CeVO3","formula_anonymous":"ABC3","energy":-183.97490575,"energy_per_atom":-9.1987452875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.93090575,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0001076,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.344000Z","spacegroup":62},{"id":"mp-1183983","created_at":"2022-09-04T14:39:09.631542Z","structure_string":"Ga1 Ni1 O3\n1.0\n3.671321 0.000000 0.000000\n0.000000 3.671321 0.000000\n0.000000 0.000000 3.671321\nGa Ni O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ga","Ni","O"],"chemical_system":"Ga-Ni-O","density":5.919929658044955,"density_atomic":0.1010422314886792,"volume":49.484259465906604,"volume_molar":5.96002351816104,"formula_full":"Ga1 Ni1 O3","formula_reduced":"GaNiO3","formula_anonymous":"ABC3","energy":-26.906058970000004,"energy_per_atom":-5.381211794,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.30405897,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8019234,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.916000Z","spacegroup":221},{"id":"mp-1180816","created_at":"2022-09-04T14:39:09.645282Z","structure_string":"K4 I4 O12\n1.0\n4.529756 6.412588 0.000000\n-4.529756 6.412588 0.000000\n0.000000 6.405844 6.430920\nK I O\n4 4 12\ndirect\n0.997207 0.002793 0.500000 K\n0.497253 0.502747 0.000000 K\n0.003598 0.996402 0.000000 K\n0.506561 0.493439 0.500000 K\n0.487165 0.977311 0.036850 I\n0.970903 0.490607 0.504579 I\n0.509393 0.029097 0.495421 I\n0.022689 0.512835 0.963150 I\n0.195049 0.736213 0.789374 O\n0.736850 0.195338 0.277901 O\n0.690560 0.774750 0.050283 O\n0.263787 0.804951 0.210626 O\n0.455811 0.037801 0.219453 O\n0.763562 0.689940 0.508820 O\n0.225250 0.309440 0.949717 O\n0.804662 0.263150 0.722099 O\n0.013300 0.474354 0.291131 O\n0.525646 0.986700 0.708869 O\n0.310060 0.236438 0.491180 O\n0.962199 0.544189 0.780547 O\n","nsites":20,"nelements":3,"elements":["K","I","O"],"chemical_system":"I-K-O","density":3.8046401009166004,"density_atomic":0.05353265042858988,"volume":373.60376965977224,"volume_molar":11.249472446788829,"formula_full":"K4 I4 O12","formula_reduced":"KIO3","formula_anonymous":"ABC3","energy":-97.12141356,"energy_per_atom":-4.856070678,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.87741356,"band_gap":2.8130000000000006,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0008417,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.705000Z","spacegroup":5}]}