{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=10232","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=10230","results":[{"id":"mp-1391871","created_at":"2022-09-04T14:39:29.099969Z","structure_string":"Li2 Ti1 Cr3 O8\n1.0\n-5.908150 0.000000 0.000000\n2.947017 5.126330 0.000000\n-0.003870 -3.396528 -4.943109\nLi Ti Cr O\n2 1 3 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.723498 0.271294 0.198885 O\n0.761119 0.232116 0.786920 O\n0.756515 0.741670 0.784040 O\n0.266495 0.243531 0.794042 O\n0.733505 0.756469 0.205958 O\n0.243485 0.258330 0.215960 O\n0.238881 0.767884 0.213080 O\n0.276502 0.728706 0.801115 O\n","nsites":14,"nelements":4,"elements":["Li","Ti","Cr","O"],"chemical_system":"Cr-Li-O-Ti","density":3.834696915580535,"density_atomic":0.0935125232593465,"volume":149.71256802869675,"volume_molar":6.439929701499197,"formula_full":"Li2 Ti1 Cr3 O8","formula_reduced":"Li2TiCr3O8","formula_anonymous":"AB2C3D8","energy":-59.51394718,"energy_per_atom":-4.250996227142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.02094718,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0014291,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.124000Z","spacegroup":2},{"id":"mp-29909","created_at":"2022-09-04T14:39:39.179349Z","structure_string":"Ba8 I12 O2\n1.0\n5.534921 -9.586764 0.000000\n5.534921 9.586764 0.000000\n0.000000 0.000000 8.626255\nBa I O\n8 12 2\ndirect\n0.795520 0.591040 0.129965 Ba\n0.204480 0.795520 0.629965 Ba\n0.591040 0.795520 0.629965 Ba\n0.408960 0.204480 0.129965 Ba\n0.795520 0.204480 0.129965 Ba\n0.204480 0.408960 0.629965 Ba\n0.666667 0.333333 0.523735 Ba\n0.333333 0.666667 0.023735 Ba\n0.860569 0.721138 0.510794 I\n0.139431 0.860569 0.010794 I\n0.721138 0.860569 0.010794 I\n0.278862 0.139431 0.510794 I\n0.860569 0.139431 0.510794 I\n0.139431 0.278862 0.010794 I\n0.533183 0.466817 0.827137 I\n0.066367 0.533183 0.327137 I\n0.466817 0.933633 0.327137 I\n0.533183 0.066367 0.827137 I\n0.933633 0.466817 0.827137 I\n0.466817 0.533183 0.327137 I\n0.666667 0.333333 0.224466 O\n0.333333 0.666667 0.724466 O\n","nsites":22,"nelements":3,"elements":["Ba","I","O"],"chemical_system":"Ba-I-O","density":4.813126469047882,"density_atomic":0.024031834810543534,"volume":915.4523644756371,"volume_molar":25.05901362703232,"formula_full":"Ba8 I12 O2","formula_reduced":"Ba4I6O","formula_anonymous":"AB4C6","energy":-93.51948496,"energy_per_atom":-4.25088568,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.59748496,"band_gap":3.9787,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.69e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:23.777000Z","spacegroup":186},{"id":"mp-1227295","created_at":"2022-09-04T14:47:11.663032Z","structure_string":"Be4 Ni1 Ge1\n1.0\n0.000000 3.065908 3.065908\n3.065908 0.000000 3.065908\n3.065908 3.065908 0.000000\nBe Ni Ge\n4 1 1\ndirect\n0.623264 0.623264 0.130208 Be\n0.623264 0.130208 0.623264 Be\n0.130208 0.623264 0.623264 Be\n0.623264 0.623264 0.623264 Be\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Ge\n","nsites":6,"nelements":3,"elements":["Be","Ni","Ge"],"chemical_system":"Be-Ge-Ni","density":4.822262313952595,"density_atomic":0.10409836268649265,"volume":57.63779415119018,"volume_molar":5.785048491239532,"formula_full":"Be4 Ni1 Ge1","formula_reduced":"Be4NiGe","formula_anonymous":"ABC4","energy":-25.50529351,"energy_per_atom":-4.250882251666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.50529351,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.15e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.361000Z","spacegroup":216},{"id":"mp-1102211","created_at":"2022-09-04T14:47:45.402403Z","structure_string":"Ho2 Ga8 Fe1\n1.0\n4.245927 0.000000 0.000000\n0.000000 4.245927 0.000000\n0.000000 0.000000 11.065803\nHo Ga Fe\n2 8 1\ndirect\n0.000000 0.000000 0.695016 Ho\n0.000000 0.000000 0.304984 Ho\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.699854 Ga\n0.500000 0.500000 0.300146 Ga\n0.500000 0.000000 0.885031 Ga\n0.000000 0.500000 0.885031 Ga\n0.500000 0.000000 0.114969 Ga\n0.000000 0.500000 0.114969 Ga\n0.000000 0.000000 0.000000 Fe\n","nsites":11,"nelements":3,"elements":["Ho","Ga","Fe"],"chemical_system":"Fe-Ga-Ho","density":7.853409666579181,"density_atomic":0.0551397388124699,"volume":199.49314662898513,"volume_molar":10.921598269591525,"formula_full":"Ho2 Ga8 Fe1","formula_reduced":"Ho2Ga8Fe","formula_anonymous":"AB2C8","energy":-46.75966982,"energy_per_atom":-4.2508790745454546,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.75966982,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005242,"is_theoretical":false,"updated_at":"2021-11-28T01:38:19.417000Z","spacegroup":123},{"id":"mp-1104978","created_at":"2022-09-04T14:47:46.605489Z","structure_string":"Rb2 Co2 Cl6 O4\n1.0\n2.976513 7.638140 0.000000\n-2.976513 7.638140 0.000000\n0.000000 4.161316 7.449379\nRb Co Cl O\n2 2 6 4\ndirect\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.195707 0.804293 0.750000 Cl\n0.804293 0.195707 0.250000 Cl\n0.087626 0.643064 0.546430 Cl\n0.356936 0.912374 0.953570 Cl\n0.912374 0.356936 0.453570 Cl\n0.643064 0.087626 0.046430 Cl\n0.716300 0.123004 0.619696 O\n0.876996 0.283700 0.880304 O\n0.283700 0.876996 0.380304 O\n0.123004 0.716300 0.119696 O\n","nsites":14,"nelements":4,"elements":["Rb","Co","Cl","O"],"chemical_system":"Cl-Co-O-Rb","density":2.772360811943483,"density_atomic":0.041331633687860414,"volume":338.7236058881448,"volume_molar":14.570294524236948,"formula_full":"Rb2 Co2 Cl6 O4","formula_reduced":"RbCoCl3O2","formula_anonymous":"ABC2D3","energy":-59.51106987,"energy_per_atom":-4.250790705,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.80306987,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.2635043,"is_theoretical":false,"updated_at":"2021-11-28T01:38:22.403000Z","spacegroup":15},{"id":"mp-766467","created_at":"2022-09-04T14:47:24.017197Z","structure_string":"Li24 Cu24 S24\n1.0\n5.299856 0.000000 0.000000\n0.000000 12.380115 0.000000\n0.000000 0.000000 16.117852\nLi Cu S\n24 24 24\ndirect\n0.840207 0.077925 0.177939 Li\n0.159793 0.077925 0.677939 Li\n0.332983 0.074780 0.337333 Li\n0.667017 0.074780 0.837333 Li\n0.269280 0.078280 0.010698 Li\n0.730720 0.078280 0.510698 Li\n0.769280 0.421720 0.010698 Li\n0.230720 0.421720 0.510698 Li\n0.832983 0.425220 0.337333 Li\n0.167017 0.425220 0.837333 Li\n0.340207 0.422075 0.177939 Li\n0.659793 0.422075 0.677939 Li\n0.659793 0.577925 0.822061 Li\n0.340207 0.577925 0.322061 Li\n0.832983 0.574780 0.162667 Li\n0.167017 0.574780 0.662667 Li\n0.230720 0.578280 0.989302 Li\n0.769280 0.578280 0.489302 Li\n0.269280 0.921720 0.489302 Li\n0.730720 0.921720 0.989302 Li\n0.667017 0.925220 0.662667 Li\n0.332983 0.925220 0.162667 Li\n0.840207 0.922075 0.322061 Li\n0.159793 0.922075 0.822061 Li\n0.596950 0.235335 0.096959 Cu\n0.403050 0.235335 0.596959 Cu\n0.404681 0.258006 0.765892 Cu\n0.595319 0.258006 0.265892 Cu\n0.968719 0.238058 0.428472 Cu\n0.031281 0.238058 0.928472 Cu\n0.468719 0.261942 0.428472 Cu\n0.531281 0.261942 0.928472 Cu\n0.095319 0.241994 0.265892 Cu\n0.904681 0.241994 0.765892 Cu\n0.096950 0.264665 0.096959 Cu\n0.903050 0.264665 0.596959 Cu\n0.903050 0.735335 0.903041 Cu\n0.096950 0.735335 0.403041 Cu\n0.904681 0.758006 0.734108 Cu\n0.095319 0.758006 0.234108 Cu\n0.468719 0.738058 0.071528 Cu\n0.531281 0.738058 0.571528 Cu\n0.031281 0.761942 0.571528 Cu\n0.968719 0.761942 0.071528 Cu\n0.404681 0.741994 0.734108 Cu\n0.595319 0.741994 0.234108 Cu\n0.596950 0.764665 0.403041 Cu\n0.403050 0.764665 0.903041 Cu\n0.199504 0.118151 0.830969 S\n0.800496 0.118151 0.330969 S\n0.295592 0.126061 0.167932 S\n0.704408 0.126061 0.667932 S\n0.255869 0.121371 0.495124 S\n0.744131 0.121371 0.995124 S\n0.244131 0.378629 0.995124 S\n0.755869 0.378629 0.495124 S\n0.795592 0.373939 0.167932 S\n0.204408 0.373939 0.667932 S\n0.300496 0.381849 0.330969 S\n0.699504 0.381849 0.830969 S\n0.699504 0.618151 0.669031 S\n0.300496 0.618151 0.169031 S\n0.795592 0.626061 0.332068 S\n0.204408 0.626061 0.832068 S\n0.244131 0.621371 0.504876 S\n0.755869 0.621371 0.004876 S\n0.744131 0.878629 0.504876 S\n0.255869 0.878629 0.004876 S\n0.295592 0.873939 0.332068 S\n0.704408 0.873939 0.832068 S\n0.199504 0.881849 0.669031 S\n0.800496 0.881849 0.169031 S\n","nsites":72,"nelements":3,"elements":["Li","Cu","S"],"chemical_system":"Cu-Li-S","density":3.864635700490773,"density_atomic":0.0680826707890224,"volume":1057.5378310747649,"volume_molar":8.845335663551856,"formula_full":"Li24 Cu24 S24","formula_reduced":"LiCuS","formula_anonymous":"ABC","energy":-306.04397572,"energy_per_atom":-4.250610773888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-293.97197571999993,"band_gap":1.2911,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0009155,"is_theoretical":true,"updated_at":"2021-11-28T01:38:09.225000Z","spacegroup":60},{"id":"mp-675626","created_at":"2022-09-04T14:41:29.959848Z","structure_string":"Cu3 As1 Se4\n1.0\n-2.810578 2.810578 5.570006\n2.810578 -2.810578 5.570006\n2.810578 2.810578 -5.570006\nCu As Se\n3 1 4\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 As\n0.876505 0.385537 0.000000 Se\n0.123495 0.123495 0.509032 Se\n0.385537 0.876505 0.000000 Se\n0.614463 0.614463 0.490968 Se\n","nsites":8,"nelements":3,"elements":["Cu","As","Se"],"chemical_system":"As-Cu-Se","density":5.485508430546522,"density_atomic":0.04545514502635896,"volume":175.99767848856018,"volume_molar":13.248534916141669,"formula_full":"Cu3 As1 Se4","formula_reduced":"Cu3AsSe4","formula_anonymous":"AB3C4","energy":-34.004837349999995,"energy_per_atom":-4.250604668749999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.11683735,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002785,"is_theoretical":false,"updated_at":"2021-11-28T01:35:21.387000Z","spacegroup":121},{"id":"mp-998234","created_at":"2022-09-04T14:40:16.403375Z","structure_string":"Cs1 Tl1 F3\n1.0\n3.379039 -3.383799 0.000000\n3.379039 3.383799 0.000000\n-0.009527 0.000000 4.782040\nCs Tl F\n1 1 3\ndirect\n0.053932 0.053932 0.053932 Cs\n0.547211 0.547211 0.547211 Tl\n0.046504 0.543179 0.543179 F\n0.543179 0.543179 0.046504 F\n0.543179 0.046504 0.543179 F\n","nsites":5,"nelements":3,"elements":["Cs","Tl","F"],"chemical_system":"Cs-F-Tl","density":5.987110126962187,"density_atomic":0.04572240246024778,"volume":109.35558349863894,"volume_molar":13.171094334414738,"formula_full":"Cs1 Tl1 F3","formula_reduced":"CsTlF3","formula_anonymous":"ABC3","energy":-21.252865380000003,"energy_per_atom":-4.250573076,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.86686538,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.003745,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.193000Z","spacegroup":160},{"id":"mp-8479","created_at":"2022-09-04T14:40:28.386883Z","structure_string":"Tl8 Si2 S8\n1.0\n5.881589 6.488429 0.000000\n-5.881589 6.488429 0.000000\n0.000000 3.204056 7.119830\nTl Si S\n8 2 8\ndirect\n0.808293 0.784729 0.076981 Tl\n0.784729 0.808293 0.576981 Tl\n0.423217 0.964864 0.037013 Tl\n0.964864 0.423217 0.537013 Tl\n0.989732 0.262981 0.078138 Tl\n0.262981 0.989732 0.578138 Tl\n0.581098 0.368465 0.007216 Tl\n0.368465 0.581098 0.507216 Tl\n0.202258 0.617470 0.027949 Si\n0.617470 0.202258 0.527949 Si\n0.771029 0.094768 0.699752 S\n0.381324 0.234026 0.704416 S\n0.234026 0.381324 0.204416 S\n0.430571 0.711484 0.843337 S\n0.606626 0.055464 0.356398 S\n0.055464 0.606626 0.856398 S\n0.711484 0.430571 0.343337 S\n0.094768 0.771029 0.199752 S\n","nsites":18,"nelements":3,"elements":["Tl","Si","S"],"chemical_system":"S-Si-Tl","density":5.951824418621796,"density_atomic":0.03312368572812907,"volume":543.417787130922,"volume_molar":18.18076891994516,"formula_full":"Tl8 Si2 S8","formula_reduced":"Tl4SiS4","formula_anonymous":"AB4C4","energy":-76.50977251,"energy_per_atom":-4.250542917222223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.48577251,"band_gap":1.9544999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008382,"is_theoretical":false,"updated_at":"2021-11-28T01:35:05.071000Z","spacegroup":9},{"id":"mp-774336","created_at":"2022-09-04T14:46:53.334396Z","structure_string":"Li12 Bi4 S12\n1.0\n8.139213 0.000000 0.000000\n0.000000 8.139213 0.000000\n0.000000 0.000000 8.139213\nLi Bi S\n12 4 12\ndirect\n0.030755 0.969245 0.469245 Li\n0.179281 0.679281 0.820719 Li\n0.204077 0.295923 0.704077 Li\n0.295923 0.704077 0.204077 Li\n0.320719 0.320719 0.320719 Li\n0.469245 0.030755 0.969245 Li\n0.530755 0.530755 0.530755 Li\n0.679281 0.820719 0.179281 Li\n0.704077 0.204077 0.295923 Li\n0.795923 0.795923 0.795923 Li\n0.820719 0.179281 0.679281 Li\n0.969245 0.469245 0.030755 Li\n0.075515 0.075515 0.075515 Bi\n0.424485 0.924485 0.575515 Bi\n0.575515 0.424485 0.924485 Bi\n0.924485 0.575515 0.424485 Bi\n0.994152 0.748608 0.122996 S\n0.122996 0.994152 0.748608 S\n0.251392 0.622996 0.505848 S\n0.248608 0.377004 0.005848 S\n0.377004 0.005848 0.248608 S\n0.505848 0.251392 0.622996 S\n0.494152 0.751392 0.877004 S\n0.622996 0.505848 0.251392 S\n0.751392 0.877004 0.494152 S\n0.748608 0.122996 0.994152 S\n0.877004 0.494152 0.751392 S\n0.005848 0.248608 0.377004 S\n","nsites":28,"nelements":3,"elements":["Li","Bi","S"],"chemical_system":"Bi-Li-S","density":4.015848454266282,"density_atomic":0.051929099251849735,"volume":539.1967202089035,"volume_molar":11.596851951529832,"formula_full":"Li12 Bi4 S12","formula_reduced":"Li3BiS3","formula_anonymous":"AB3C3","energy":-119.01511191,"energy_per_atom":-4.250539711071428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.97911191,"band_gap":1.9514,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008546,"is_theoretical":true,"updated_at":"2021-11-28T01:37:40.874000Z","spacegroup":198},{"id":"mp-3922","created_at":"2022-09-04T14:39:32.942797Z","structure_string":"Ag4 Sb4 S8\n1.0\n2.330795 6.482799 0.000000\n-2.330795 6.482799 0.000000\n0.000000 2.055997 13.111075\nAg Sb S\n4 4 8\ndirect\n0.500000 0.500000 0.000000 Ag\n0.997887 0.002113 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n0.002113 0.997887 0.250000 Ag\n0.773182 0.719003 0.626146 Sb\n0.280997 0.226818 0.873854 Sb\n0.226818 0.280997 0.373854 Sb\n0.719003 0.773182 0.126146 Sb\n0.083820 0.697173 0.914892 S\n0.302827 0.916180 0.585108 S\n0.916180 0.302827 0.085108 S\n0.697173 0.083820 0.414892 S\n0.202763 0.508049 0.197946 S\n0.508049 0.202763 0.697946 S\n0.797237 0.491951 0.802054 S\n0.491951 0.797237 0.302054 S\n","nsites":16,"nelements":3,"elements":["Ag","Sb","S"],"chemical_system":"Ag-S-Sb","density":4.924522834606938,"density_atomic":0.04038174212135793,"volume":396.2186661465898,"volume_molar":14.913028620463816,"formula_full":"Ag4 Sb4 S8","formula_reduced":"AgSbS2","formula_anonymous":"ABC2","energy":-68.00620816,"energy_per_atom":-4.25038801,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.98220816,"band_gap":1.3716000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.004447,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.005000Z","spacegroup":15},{"id":"mp-1223538","created_at":"2022-09-04T14:45:09.580158Z","structure_string":"K4 Ba4 N12\n1.0\n0.000000 5.977906 12.727114\n4.004341 0.000000 12.727114\n4.004341 5.977906 0.000000\nK Ba N\n4 4 12\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 K\n0.090836 0.090836 0.409164 K\n0.409164 0.409164 0.090836 K\n0.000000 0.000000 0.000000 Ba\n0.750000 0.750000 0.750000 Ba\n0.829544 0.829544 0.170456 Ba\n0.170456 0.170456 0.829544 Ba\n0.235964 0.764036 0.235964 N\n0.764036 0.235964 0.764036 N\n0.518086 0.981914 0.518086 N\n0.981914 0.518086 0.981914 N\n0.048159 0.596163 0.396642 N\n0.596163 0.048159 0.959036 N\n0.396642 0.959036 0.048159 N\n0.959036 0.396642 0.596163 N\n0.687715 0.147447 0.263719 N\n0.147447 0.687715 0.901119 N\n0.263719 0.901119 0.687715 N\n0.901119 0.263719 0.147447 N\n","nsites":20,"nelements":3,"elements":["K","Ba","N"],"chemical_system":"Ba-K-N","density":2.3812880207183853,"density_atomic":0.032823881060950855,"volume":609.312468652378,"volume_molar":18.34682726523854,"formula_full":"K4 Ba4 N12","formula_reduced":"KBaN3","formula_anonymous":"ABC3","energy":-85.00662156000001,"energy_per_atom":-4.250331078,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.67462156000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0011653,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.559000Z","spacegroup":22}]}