{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=104","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=102","results":[{"id":"mp-1408959","created_at":"2022-09-04T14:46:15.093092Z","structure_string":"Y2 Fe4 O8\n1.0\n0.000000 4.479005 4.479005\n4.479005 0.000000 4.479005\n4.479005 4.479005 0.000000\nY Fe O\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Y\n0.125000 0.125000 0.625000 Fe\n0.125000 0.125000 0.125000 Fe\n0.125000 0.625000 0.125000 Fe\n0.625000 0.125000 0.125000 Fe\n0.889292 0.332125 0.889292 O\n0.917875 0.360708 0.360708 O\n0.360708 0.360708 0.917875 O\n0.360708 0.360708 0.360708 O\n0.332125 0.889292 0.889292 O\n0.360708 0.917875 0.360708 O\n0.889292 0.889292 0.332125 O\n0.889292 0.889292 0.889292 O\n","nsites":14,"nelements":3,"elements":["Y","Fe","O"],"chemical_system":"Fe-O-Y","density":4.88971497741423,"density_atomic":0.0779028593349963,"volume":179.71099032190185,"volume_molar":7.73032057026779,"formula_full":"Y2 Fe4 O8","formula_reduced":"Y(FeO2)2","formula_anonymous":"AB2C4","energy":-117.90582542,"energy_per_atom":-8.421844672857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.38582542,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.9999145,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.068000Z","spacegroup":227},{"id":"mp-1199068","created_at":"2022-09-04T14:43:08.925472Z","structure_string":"Pr2 Cd40 Ni4\n1.0\n0.000000 7.905750 7.905750\n7.905750 0.000000 7.905750\n7.905750 7.905750 0.000000\nPr Cd Ni\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Pr\n0.750000 0.750000 0.750000 Pr\n0.569091 0.300178 0.300178 Cd\n0.300178 0.569091 0.830552 Cd\n0.300178 0.830552 0.569091 Cd\n0.830552 0.300178 0.300178 Cd\n0.300178 0.300178 0.569091 Cd\n0.569091 0.830552 0.300178 Cd\n0.830552 0.569091 0.300178 Cd\n0.300178 0.300178 0.830552 Cd\n0.300178 0.569091 0.300178 Cd\n0.830552 0.300178 0.569091 Cd\n0.569091 0.300178 0.830552 Cd\n0.300178 0.830552 0.300178 Cd\n0.680909 0.949822 0.949822 Cd\n0.949822 0.680909 0.419448 Cd\n0.949822 0.419448 0.680909 Cd\n0.419448 0.949822 0.949822 Cd\n0.949822 0.949822 0.680909 Cd\n0.680909 0.419448 0.949822 Cd\n0.419448 0.680909 0.949822 Cd\n0.949822 0.949822 0.419448 Cd\n0.949822 0.680909 0.949822 Cd\n0.419448 0.949822 0.680909 Cd\n0.680909 0.949822 0.419448 Cd\n0.949822 0.419448 0.949822 Cd\n0.863430 0.863430 0.136570 Cd\n0.136570 0.136570 0.863430 Cd\n0.863430 0.136570 0.863430 Cd\n0.136570 0.863430 0.136570 Cd\n0.136570 0.863430 0.863430 Cd\n0.863430 0.136570 0.136570 Cd\n0.386570 0.386570 0.113430 Cd\n0.113430 0.113430 0.386570 Cd\n0.386570 0.113430 0.386570 Cd\n0.113430 0.386570 0.113430 Cd\n0.113430 0.386570 0.386570 Cd\n0.386570 0.113430 0.113430 Cd\n0.125000 0.625000 0.625000 Cd\n0.625000 0.125000 0.625000 Cd\n0.625000 0.625000 0.125000 Cd\n0.625000 0.625000 0.625000 Cd\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.125000 0.125000 0.125000 Ni\n","nsites":46,"nelements":3,"elements":["Pr","Cd","Ni"],"chemical_system":"Cd-Ni-Pr","density":8.423451505694805,"density_atomic":0.0465477406446526,"volume":988.2327125427188,"volume_molar":12.9375576055845,"formula_full":"Pr2 Cd40 Ni4","formula_reduced":"Pr(Cd10Ni)2","formula_anonymous":"AB2C20","energy":-74.11953593,"energy_per_atom":-1.611294259347826,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.11953593,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0303562,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.408000Z","spacegroup":227},{"id":"mp-1211134","created_at":"2022-09-04T14:43:08.468363Z","structure_string":"Li4 Al8\n1.0\n-4.795409 -4.795409 0.000000\n-4.795409 0.000000 -4.795409\n0.000000 -4.795409 -4.795409\nLi Al\n4 8\ndirect\n0.875000 0.875000 0.875000 Li\n0.375000 0.875000 0.875000 Li\n0.875000 0.375000 0.875000 Li\n0.875000 0.875000 0.375000 Li\n0.601527 0.601527 0.601527 Al\n0.195419 0.601527 0.601527 Al\n0.601527 0.195419 0.601527 Al\n0.554581 0.148473 0.148473 Al\n0.148473 0.148473 0.148473 Al\n0.601527 0.601527 0.195419 Al\n0.148473 0.554581 0.148473 Al\n0.148473 0.148473 0.554581 Al\n","nsites":12,"nelements":2,"elements":["Li","Al"],"chemical_system":"Al-Li","density":1.8342076411275097,"density_atomic":0.05440944404501037,"volume":220.54994699216124,"volume_molar":11.068190211644447,"formula_full":"Li4 Al8","formula_reduced":"LiAl2","formula_anonymous":"AB2","energy":-34.71088895,"energy_per_atom":-2.8925740791666663,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.71088895,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0036161,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.285000Z","spacegroup":227},{"id":"mp-558960","created_at":"2022-09-04T14:43:08.784959Z","structure_string":"Dy4 Tc4 O14\n1.0\n0.000000 5.158485 5.158485\n5.158485 0.000000 5.158485\n5.158485 5.158485 0.000000\nDy Tc O\n4 4 14\ndirect\n0.625000 0.125000 0.125000 Dy\n0.125000 0.625000 0.125000 Dy\n0.125000 0.125000 0.625000 Dy\n0.125000 0.125000 0.125000 Dy\n0.625000 0.125000 0.625000 Tc\n0.625000 0.625000 0.125000 Tc\n0.125000 0.625000 0.625000 Tc\n0.625000 0.625000 0.625000 Tc\n0.536684 0.963316 0.536684 O\n0.286684 0.713316 0.286684 O\n0.286684 0.286684 0.713316 O\n0.286684 0.713316 0.713316 O\n0.536684 0.963316 0.963316 O\n0.713316 0.286684 0.286684 O\n0.536684 0.536684 0.963316 O\n0.000000 0.000000 0.000000 O\n0.963316 0.536684 0.536684 O\n0.713316 0.286684 0.713316 O\n0.963316 0.536684 0.963316 O\n0.250000 0.250000 0.250000 O\n0.963316 0.963316 0.536684 O\n0.713316 0.713316 0.286684 O\n","nsites":22,"nelements":3,"elements":["Dy","Tc","O"],"chemical_system":"Dy-O-Tc","density":7.657436601507784,"density_atomic":0.08013572475534778,"volume":274.5342363492114,"volume_molar":7.514926430609362,"formula_full":"Dy4 Tc4 O14","formula_reduced":"Dy2Tc2O7","formula_anonymous":"A2B2C7","energy":-191.30769734000003,"energy_per_atom":-8.695804424545456,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-181.68969734,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9975366,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.868000Z","spacegroup":227},{"id":"mp-1208384","created_at":"2022-09-04T14:43:09.745111Z","structure_string":"Ta8 V2\n1.0\n-4.655668 -4.655668 0.000000\n-4.655668 0.000000 -4.655668\n0.000000 -4.655668 -4.655668\nTa V\n8 2\ndirect\n0.603548 0.603548 0.603548 Ta\n0.189357 0.603548 0.603548 Ta\n0.603548 0.189357 0.603548 Ta\n0.560643 0.146452 0.146452 Ta\n0.146452 0.146452 0.146452 Ta\n0.603548 0.603548 0.189357 Ta\n0.146452 0.560643 0.146452 Ta\n0.146452 0.146452 0.560643 Ta\n0.000000 0.000000 0.000000 V\n0.750000 0.750000 0.750000 V\n","nsites":10,"nelements":2,"elements":["Ta","V"],"chemical_system":"Ta-V","density":12.748384556341305,"density_atomic":0.04954775665004471,"volume":201.8254846658325,"volume_molar":12.154214776128647,"formula_full":"Ta8 V2","formula_reduced":"Ta4V","formula_anonymous":"AB4","energy":-98.61915162,"energy_per_atom":-9.861915161999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.61915162,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001701,"is_theoretical":true,"updated_at":"2021-11-28T01:36:05.286000Z","spacegroup":227},{"id":"mp-756338","created_at":"2022-09-04T14:43:10.440411Z","structure_string":"Na2 V4 O8\n1.0\n0.000000 4.312121 4.312121\n4.312121 0.000000 4.312121\n4.312121 4.312121 0.000000\nNa V O\n2 4 8\ndirect\n0.625000 0.625000 0.625000 Na\n0.375000 0.375000 0.375000 Na\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.191788 0.769404 0.769404 O\n0.769404 0.191788 0.769404 O\n0.769404 0.769404 0.769404 O\n0.769404 0.769404 0.191788 O\n0.230596 0.230596 0.808212 O\n0.230596 0.230596 0.230596 O\n0.230596 0.808212 0.230596 O\n0.808212 0.230596 0.230596 O\n","nsites":14,"nelements":3,"elements":["Na","V","O"],"chemical_system":"Na-O-V","density":3.911470961231708,"density_atomic":0.08730220713597724,"volume":160.36249780253954,"volume_molar":6.898039531372026,"formula_full":"Na2 V4 O8","formula_reduced":"NaV2O4","formula_anonymous":"AB2C4","energy":-111.07697985,"energy_per_atom":-7.934069989285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.78097985,"band_gap":0.0407999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":6.0000131,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.203000Z","spacegroup":227},{"id":"mp-756271","created_at":"2022-09-04T14:43:10.165135Z","structure_string":"Cu2 Ni4 O8\n1.0\n-4.130084 4.130084 0.000000\n4.130084 0.000000 4.130084\n4.130084 4.130084 0.000000\nCu Ni O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.500000 0.250000 Cu\n0.625000 0.250000 0.125000 Ni\n0.625000 0.250000 0.625000 Ni\n0.625000 0.750000 0.625000 Ni\n0.125000 0.750000 0.625000 Ni\n0.846742 0.231161 0.384420 O\n0.384420 0.231161 0.384420 O\n0.865580 0.268839 0.865580 O\n0.865580 0.731161 0.403258 O\n0.403258 0.268839 0.865580 O\n0.865580 0.731161 0.865580 O\n0.384420 0.768839 0.384420 O\n0.384420 0.768839 0.846742 O\n","nsites":14,"nelements":3,"elements":["Cu","Ni","O"],"chemical_system":"Cu-Ni-O","density":5.77318048870885,"density_atomic":0.09936224283932697,"volume":140.89859085244888,"volume_molar":6.0607939071363965,"formula_full":"Cu2 Ni4 O8","formula_reduced":"Cu(NiO2)2","formula_anonymous":"AB2C4","energy":-84.61884737,"energy_per_atom":-6.044203383571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.95884737,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0078852,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.913000Z","spacegroup":227},{"id":"mp-2529","created_at":"2022-09-04T14:43:10.519657Z","structure_string":"Pr2 Rh4\n1.0\n0.000000 3.852736 3.852736\n3.852736 0.000000 3.852736\n3.852736 3.852736 0.000000\nPr Rh\n2 4\ndirect\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Pr\n0.125000 0.125000 0.625000 Rh\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.125000 Rh\n0.625000 0.125000 0.125000 Rh\n","nsites":6,"nelements":2,"elements":["Pr","Rh"],"chemical_system":"Pr-Rh","density":10.067428351841885,"density_atomic":0.05245821415746588,"volume":114.37674912053934,"volume_molar":11.479881381251571,"formula_full":"Pr2 Rh4","formula_reduced":"PrRh2","formula_anonymous":"AB2","energy":-42.80369227,"energy_per_atom":-7.133948711666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.80369227,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001144,"is_theoretical":false,"updated_at":"2021-11-28T01:36:05.420000Z","spacegroup":227},{"id":"mp-1687","created_at":"2022-09-04T14:43:10.583161Z","structure_string":"Ba2 Pd4\n1.0\n0.000000 4.066125 4.066125\n4.066125 0.000000 4.066125\n4.066125 4.066125 0.000000\nBa Pd\n2 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Ba\n0.125000 0.125000 0.125000 Pd\n0.625000 0.125000 0.125000 Pd\n0.125000 0.625000 0.125000 Pd\n0.125000 0.125000 0.625000 Pd\n","nsites":6,"nelements":2,"elements":["Ba","Pd"],"chemical_system":"Ba-Pd","density":8.649323412504696,"density_atomic":0.04462508724711391,"volume":134.45351864019145,"volume_molar":13.494966915475278,"formula_full":"Ba2 Pd4","formula_reduced":"BaPd2","formula_anonymous":"AB2","energy":-28.02422061,"energy_per_atom":-4.670703435,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.02422061,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0057622,"is_theoretical":false,"updated_at":"2021-11-28T01:36:08.209000Z","spacegroup":227},{"id":"mp-2235","created_at":"2022-09-04T14:43:10.858754Z","structure_string":"Yb2 Rh4\n1.0\n0.000000 3.750454 3.750454\n3.750454 0.000000 3.750454\n3.750454 3.750454 0.000000\nYb Rh\n2 4\ndirect\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.625000 Rh\n0.625000 0.125000 0.125000 Rh\n0.125000 0.125000 0.125000 Rh\n","nsites":6,"nelements":2,"elements":["Yb","Rh"],"chemical_system":"Rh-Yb","density":11.925209187458986,"density_atomic":0.05686823184640483,"volume":105.50706088779715,"volume_molar":10.589639530670084,"formula_full":"Yb2 Rh4","formula_reduced":"YbRh2","formula_anonymous":"AB2","energy":-36.07538019,"energy_per_atom":-6.012563364999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.07538019,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0316966,"is_theoretical":false,"updated_at":"2021-11-28T01:36:04.937000Z","spacegroup":227},{"id":"mp-642754","created_at":"2022-09-04T14:43:11.223614Z","structure_string":"Gd4 Mo4 O14\n1.0\n0.000000 5.254932 5.254932\n5.254932 0.000000 5.254932\n5.254932 5.254932 0.000000\nGd Mo O\n4 4 14\ndirect\n0.625000 0.125000 0.125000 Gd\n0.125000 0.625000 0.125000 Gd\n0.125000 0.125000 0.625000 Gd\n0.125000 0.125000 0.125000 Gd\n0.125000 0.625000 0.625000 Mo\n0.625000 0.125000 0.625000 Mo\n0.625000 0.625000 0.125000 Mo\n0.625000 0.625000 0.625000 Mo\n0.711491 0.711491 0.288509 O\n0.288509 0.288509 0.711491 O\n0.711491 0.288509 0.711491 O\n0.288509 0.711491 0.288509 O\n0.288509 0.711491 0.711491 O\n0.711491 0.288509 0.288509 O\n0.538509 0.538509 0.961491 O\n0.961491 0.961491 0.538509 O\n0.538509 0.961491 0.538509 O\n0.961491 0.538509 0.961491 O\n0.961491 0.538509 0.538509 O\n0.538509 0.961491 0.961491 O\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n","nsites":22,"nelements":3,"elements":["Gd","Mo","O"],"chemical_system":"Gd-Mo-O","density":7.076202963581,"density_atomic":0.0758038709446819,"volume":290.2226459655941,"volume_molar":7.9443710261111535,"formula_full":"Gd4 Mo4 O14","formula_reduced":"Gd2Mo2O7","formula_anonymous":"A2B2C7","energy":-232.3145478,"energy_per_atom":-10.559752172727274,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-209.8885478,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":35.9992277,"is_theoretical":false,"updated_at":"2021-11-28T01:35:55.276000Z","spacegroup":227},{"id":"mp-1209855","created_at":"2022-09-04T14:43:12.217767Z","structure_string":"Pu8 Mn2\n1.0\n-4.558961 -4.558961 0.000000\n-4.558961 0.000000 -4.558961\n0.000000 -4.558961 -4.558961\nPu Mn\n8 2\ndirect\n0.597669 0.597669 0.597669 Pu\n0.206993 0.597669 0.597669 Pu\n0.597669 0.206993 0.597669 Pu\n0.543007 0.152331 0.152331 Pu\n0.152331 0.152331 0.152331 Pu\n0.597669 0.597669 0.206993 Pu\n0.152331 0.543007 0.152331 Pu\n0.152331 0.152331 0.543007 Pu\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Mn\n","nsites":10,"nelements":2,"elements":["Pu","Mn"],"chemical_system":"Mn-Pu","density":18.06691632798572,"density_atomic":0.05276821133508163,"volume":189.5080342310513,"volume_molar":11.412440572902895,"formula_full":"Pu8 Mn2","formula_reduced":"Pu4Mn","formula_anonymous":"AB4","energy":-122.04200081,"energy_per_atom":-12.204200081,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-122.04200081,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.5452655,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.421000Z","spacegroup":227}]}