{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=77","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=75","results":[{"id":"mp-19200","created_at":"2022-09-04T14:46:38.622586Z","structure_string":"Tb4 Mo4 O14\n1.0\n0.000000 5.216802 5.216802\n5.216802 0.000000 5.216802\n5.216802 5.216802 0.000000\nTb Mo O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 Tb\n0.625000 0.125000 0.125000 Tb\n0.125000 0.125000 0.625000 Tb\n0.125000 0.625000 0.125000 Tb\n0.625000 0.625000 0.625000 Mo\n0.125000 0.625000 0.625000 Mo\n0.625000 0.625000 0.125000 Mo\n0.625000 0.125000 0.625000 Mo\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.286961 0.286961 0.713039 O\n0.536961 0.536961 0.963039 O\n0.713039 0.286961 0.713039 O\n0.713039 0.286961 0.286961 O\n0.286961 0.713039 0.713039 O\n0.286961 0.713039 0.286961 O\n0.713039 0.713039 0.286961 O\n0.963039 0.536961 0.536961 O\n0.536961 0.963039 0.963039 O\n0.963039 0.963039 0.536961 O\n0.963039 0.536961 0.963039 O\n0.536961 0.963039 0.536961 O\n","nsites":22,"nelements":3,"elements":["Tb","Mo","O"],"chemical_system":"Mo-O-Tb","density":7.271690988009973,"density_atomic":0.07747821812158255,"volume":283.9507739514161,"volume_molar":7.772688771119861,"formula_full":"Tb4 Mo4 O14","formula_reduced":"Tb2Mo2O7","formula_anonymous":"A2B2C7","energy":-195.2456143,"energy_per_atom":-8.87480065,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.8196143,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0001529,"is_theoretical":false,"updated_at":"2021-11-28T01:37:42.654000Z","spacegroup":227},{"id":"mp-1001015","created_at":"2022-09-04T14:46:39.784221Z","structure_string":"Y4 Zn2 S8\n1.0\n0.000000 5.516157 5.516157\n5.516157 0.000000 5.516157\n5.516157 5.516157 0.000000\nY Zn S\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Y\n0.625000 0.125000 0.625000 Y\n0.625000 0.625000 0.125000 Y\n0.625000 0.625000 0.625000 Y\n0.250000 0.250000 0.250000 Zn\n0.000000 0.000000 0.000000 Zn\n0.870463 0.376512 0.376512 S\n0.376512 0.870463 0.376512 S\n0.376512 0.376512 0.870463 S\n0.376512 0.376512 0.376512 S\n0.379537 0.873488 0.873488 S\n0.873488 0.379537 0.873488 S\n0.873488 0.873488 0.379537 S\n0.873488 0.873488 0.873488 S\n","nsites":14,"nelements":3,"elements":["Y","Zn","S"],"chemical_system":"S-Y-Zn","density":3.6751536205011552,"density_atomic":0.04170500566368863,"volume":335.691118540943,"volume_molar":14.439851198110036,"formula_full":"Y4 Zn2 S8","formula_reduced":"Y2ZnS4","formula_anonymous":"AB2C4","energy":-88.82620274,"energy_per_atom":-6.344728767142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.80220274,"band_gap":0.6718999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":3.9e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:46.194000Z","spacegroup":227},{"id":"mp-23341","created_at":"2022-09-04T14:46:39.929955Z","structure_string":"Bi4 Pt4 O14\n1.0\n0.000000 5.267161 5.267161\n5.267161 0.000000 5.267161\n5.267161 5.267161 0.000000\nBi Pt O\n4 4 14\ndirect\n0.125000 0.125000 0.625000 Bi\n0.125000 0.625000 0.125000 Bi\n0.625000 0.125000 0.125000 Bi\n0.125000 0.125000 0.125000 Bi\n0.625000 0.625000 0.125000 Pt\n0.625000 0.125000 0.625000 Pt\n0.125000 0.625000 0.625000 Pt\n0.625000 0.625000 0.625000 Pt\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n0.542001 0.957999 0.542001 O\n0.292001 0.707999 0.292001 O\n0.542001 0.542001 0.957999 O\n0.957999 0.542001 0.542001 O\n0.542001 0.957999 0.957999 O\n0.957999 0.957999 0.542001 O\n0.957999 0.542001 0.957999 O\n0.707999 0.292001 0.292001 O\n0.292001 0.707999 0.707999 O\n0.707999 0.292001 0.707999 O\n0.292001 0.292001 0.707999 O\n0.707999 0.707999 0.292001 O\n","nsites":22,"nelements":3,"elements":["Bi","Pt","O"],"chemical_system":"Bi-O-Pt","density":10.456009250868306,"density_atomic":0.07527710428586136,"volume":292.25353723033777,"volume_molar":7.999963358222702,"formula_full":"Bi4 Pt4 O14","formula_reduced":"Bi2Pt2O7","formula_anonymous":"A2B2C7","energy":-138.39397745,"energy_per_atom":-6.290635338636363,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.77597745,"band_gap":0.7805,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001153,"is_theoretical":false,"updated_at":"2021-11-28T01:37:47.126000Z","spacegroup":227},{"id":"mp-1046917","created_at":"2022-09-04T14:46:39.642118Z","structure_string":"Zn2 W4 O8\n1.0\n0.000000 4.528132 4.528132\n4.528132 0.000000 4.528132\n4.528132 4.528132 0.000000\nZn W O\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Zn\n0.750000 0.750000 0.750000 Zn\n0.125000 0.125000 0.125000 W\n0.625000 0.125000 0.125000 W\n0.125000 0.625000 0.125000 W\n0.125000 0.125000 0.625000 W\n0.353479 0.882174 0.882174 O\n0.882174 0.353479 0.882174 O\n0.882174 0.882174 0.353479 O\n0.367826 0.367826 0.367826 O\n0.367826 0.367826 0.896521 O\n0.367826 0.896521 0.367826 O\n0.882174 0.882174 0.882174 O\n0.896521 0.367826 0.367826 O\n","nsites":14,"nelements":3,"elements":["Zn","W","O"],"chemical_system":"O-W-Zn","density":8.890453563138637,"density_atomic":0.0753946977391396,"volume":185.68945058230787,"volume_molar":7.987485778955158,"formula_full":"Zn2 W4 O8","formula_reduced":"Zn(WO2)2","formula_anonymous":"AB2C4","energy":-115.59714209,"energy_per_atom":-8.256938720714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.34914209,"band_gap":0.7790000000000004,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.0000007,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.636000Z","spacegroup":227},{"id":"mp-510605","created_at":"2022-09-04T14:46:40.678551Z","structure_string":"Gd4 Zr4 O14\n1.0\n0.000000 5.271732 5.271732\n5.271732 0.000000 5.271732\n5.271732 5.271732 0.000000\nGd Zr 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 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.748769 0.748769 0.251231 O\n0.251231 0.251231 0.748769 O\n0.748769 0.251231 0.748769 O\n0.251231 0.748769 0.251231 O\n0.251231 0.748769 0.748769 O\n0.748769 0.251231 0.251231 O\n0.501231 0.501231 0.998769 O\n0.998769 0.998769 0.501231 O\n0.501231 0.998769 0.501231 O\n0.998769 0.501231 0.998769 O\n0.998769 0.501231 0.501231 O\n0.501231 0.998769 0.998769 O\n0.500000 0.500000 0.500000 O\n0.750000 0.750000 0.750000 O\n","nsites":22,"nelements":3,"elements":["Gd","Zr","O"],"chemical_system":"Gd-O-Zr","density":6.901863072461585,"density_atomic":0.07508146078056908,"volume":293.0150768416263,"volume_molar":8.02080926155677,"formula_full":"Gd4 Zr4 O14","formula_reduced":"Gd2Zr2O7","formula_anonymous":"A2B2C7","energy":-238.4826859,"energy_per_atom":-10.840122086363637,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-228.8646859,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.0010583,"is_theoretical":false,"updated_at":"2021-11-28T01:37:45.820000Z","spacegroup":227},{"id":"mp-1097024","created_at":"2022-09-04T14:46:39.961598Z","structure_string":"Li2 Co4 S8\n1.0\n0.000000 4.807041 4.807041\n4.807041 0.000000 4.807041\n4.807041 4.807041 0.000000\nLi Co S\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.625000 0.125000 0.125000 Co\n0.125000 0.125000 0.625000 Co\n0.125000 0.125000 0.125000 Co\n0.125000 0.625000 0.125000 Co\n0.922704 0.359099 0.359099 S\n0.359099 0.359099 0.922704 S\n0.359099 0.359099 0.359099 S\n0.327296 0.890901 0.890901 S\n0.890901 0.327296 0.890901 S\n0.890901 0.890901 0.327296 S\n0.359099 0.922704 0.359099 S\n0.890901 0.890901 0.890901 S\n","nsites":14,"nelements":3,"elements":["Li","Co","S"],"chemical_system":"Co-Li-S","density":3.783134698009645,"density_atomic":0.06301799205077012,"volume":222.1587763177375,"volume_molar":9.556224443248356,"formula_full":"Li2 Co4 S8","formula_reduced":"Li(CoS2)2","formula_anonymous":"AB2C4","energy":-76.98118123,"energy_per_atom":-5.498655802142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.95718123,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.174366,"is_theoretical":true,"updated_at":"2021-11-28T01:37:45.147000Z","spacegroup":227},{"id":"mp-14026","created_at":"2022-09-04T14:46:40.549282Z","structure_string":"Ca4 Ta4 O14\n1.0\n0.000000 5.267616 5.267616\n5.267616 0.000000 5.267616\n5.267616 5.267616 0.000000\nCa Ta O\n4 4 14\ndirect\n0.125000 0.125000 0.625000 Ca\n0.125000 0.625000 0.125000 Ca\n0.625000 0.125000 0.125000 Ca\n0.125000 0.125000 0.125000 Ca\n0.625000 0.625000 0.125000 Ta\n0.625000 0.125000 0.625000 Ta\n0.125000 0.625000 0.625000 Ta\n0.625000 0.625000 0.625000 Ta\n0.308118 0.691882 0.308118 O\n0.558118 0.941882 0.558118 O\n0.308118 0.308118 0.691882 O\n0.691882 0.308118 0.308118 O\n0.308118 0.691882 0.691882 O\n0.691882 0.691882 0.308118 O\n0.941882 0.941882 0.558118 O\n0.558118 0.558118 0.941882 O\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.691882 0.308118 0.691882 O\n0.941882 0.558118 0.558118 O\n0.558118 0.941882 0.941882 O\n0.941882 0.558118 0.941882 O\n","nsites":22,"nelements":3,"elements":["Ca","Ta","O"],"chemical_system":"Ca-O-Ta","density":6.294392484088424,"density_atomic":0.07525759937659963,"volume":292.3292821221801,"volume_molar":8.002036750952364,"formula_full":"Ca4 Ta4 O14","formula_reduced":"Ca2Ta2O7","formula_anonymous":"A2B2C7","energy":-201.37861804,"energy_per_atom":-9.153573547272726,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-191.76061804,"band_gap":2.2952,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001087,"is_theoretical":false,"updated_at":"2021-11-28T01:37:45.034000Z","spacegroup":227},{"id":"mp-1191664","created_at":"2022-09-04T14:46:41.431876Z","structure_string":"Ta20 Ni4\n1.0\n0.000000 5.945426 5.945426\n5.945426 0.000000 5.945426\n5.945426 5.945426 0.000000\nTa Ni\n20 4\ndirect\n0.758853 0.413716 0.413716 Ta\n0.413716 0.758853 0.413716 Ta\n0.413716 0.413716 0.758853 Ta\n0.413716 0.413716 0.413716 Ta\n0.491147 0.836284 0.836284 Ta\n0.836284 0.491147 0.836284 Ta\n0.836284 0.836284 0.491147 Ta\n0.836284 0.836284 0.836284 Ta\n0.813216 0.813216 0.186784 Ta\n0.186784 0.186784 0.813216 Ta\n0.813216 0.186784 0.813216 Ta\n0.186784 0.813216 0.186784 Ta\n0.186784 0.813216 0.813216 Ta\n0.813216 0.186784 0.186784 Ta\n0.436784 0.436784 0.063216 Ta\n0.063216 0.063216 0.436784 Ta\n0.436784 0.063216 0.436784 Ta\n0.063216 0.436784 0.063216 Ta\n0.063216 0.436784 0.436784 Ta\n0.436784 0.063216 0.063216 Ta\n0.125000 0.625000 0.625000 Ni\n0.625000 0.125000 0.625000 Ni\n0.625000 0.625000 0.125000 Ni\n0.625000 0.625000 0.625000 Ni\n","nsites":24,"nelements":2,"elements":["Ta","Ni"],"chemical_system":"Ni-Ta","density":15.224799669932526,"density_atomic":0.05709950088069655,"volume":420.31891049530356,"volume_molar":10.546748512885664,"formula_full":"Ta20 Ni4","formula_reduced":"Ta5Ni","formula_anonymous":"AB5","energy":-257.68342885,"energy_per_atom":-10.736809535416667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-257.68342885,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1294388,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.678000Z","spacegroup":227},{"id":"mp-863","created_at":"2022-09-04T14:46:41.188790Z","structure_string":"Pu2 Co4\n1.0\n0.000000 3.541802 3.541802\n3.541802 0.000000 3.541802\n3.541802 3.541802 0.000000\nPu Co\n2 4\ndirect\n0.500000 0.500000 0.500000 Pu\n0.750000 0.750000 0.750000 Pu\n0.125000 0.125000 0.125000 Co\n0.625000 0.125000 0.125000 Co\n0.125000 0.625000 0.125000 Co\n0.125000 0.125000 0.625000 Co\n","nsites":6,"nelements":2,"elements":["Pu","Co"],"chemical_system":"Co-Pu","density":13.524602473663483,"density_atomic":0.06752248517547488,"volume":88.85928864151589,"volume_molar":8.918719067211297,"formula_full":"Pu2 Co4","formula_reduced":"PuCo2","formula_anonymous":"AB2","energy":-57.97584621,"energy_per_atom":-9.662641035,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.97584621,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.2095802,"is_theoretical":false,"updated_at":"2021-11-28T01:37:43.581000Z","spacegroup":227},{"id":"mp-22421","created_at":"2022-09-04T14:46:42.700785Z","structure_string":"Fe4 Ge2 O8\n1.0\n5.218508 0.000785 3.011212\n-3.478227 4.919253 -0.000068\n-1.740263 -4.920109 3.011250\nFe Ge O\n4 2 8\ndirect\n0.000022 0.499976 0.000005 Fe\n0.499979 0.000031 0.500041 Fe\n0.000016 0.500029 0.499995 Fe\n0.000018 0.000024 0.500056 Fe\n0.625062 0.750070 0.875101 Ge\n0.375002 0.250013 0.124982 Ge\n0.258996 0.505983 0.752949 O\n0.253006 0.006032 0.759029 O\n0.253014 0.005995 0.247012 O\n0.252986 0.493933 0.246956 O\n0.746993 0.993950 0.752953 O\n0.746996 0.506040 0.752960 O\n0.740895 0.493936 0.247019 O\n0.747015 0.993989 0.240941 O\n","nsites":14,"nelements":3,"elements":["Fe","Ge","O"],"chemical_system":"Fe-Ge-O","density":5.333863258173689,"density_atomic":0.09054528269306442,"volume":154.61876735708034,"volume_molar":6.650971294014507,"formula_full":"Fe4 Ge2 O8","formula_reduced":"Fe2GeO4","formula_anonymous":"AB2C4","energy":-108.34845266,"energy_per_atom":-7.73917519,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.82845266,"band_gap":1.4076999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.68e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:44.159000Z","spacegroup":227},{"id":"mp-608016","created_at":"2022-09-04T14:46:53.480793Z","structure_string":"Mg2 Fe4 O8\n1.0\n5.232235 0.001349 3.019759\n1.745353 4.932544 -3.019765\n-5.232237 -0.001353 3.019764\nMg Fe O\n2 4 8\ndirect\n0.375000 0.125000 0.250000 Mg\n0.625000 0.875000 0.750000 Mg\n0.000000 0.500001 0.000000 Fe\n0.000000 0.999999 0.499999 Fe\n0.000000 0.499999 0.499999 Fe\n0.499999 0.500001 0.000001 Fe\n0.219365 0.739784 0.479579 O\n0.239796 0.260215 0.979580 O\n0.239784 0.719366 0.979582 O\n0.239784 0.260202 0.520419 O\n0.760216 0.280633 0.020418 O\n0.760216 0.739798 0.479582 O\n0.780635 0.260215 0.520421 O\n0.760205 0.739785 0.020420 O\n","nsites":14,"nelements":3,"elements":["Mg","Fe","O"],"chemical_system":"Fe-Mg-O","density":4.261592748084419,"density_atomic":0.08982701349819915,"volume":155.8551203562019,"volume_molar":6.7041533782270655,"formula_full":"Mg2 Fe4 O8","formula_reduced":"Mg(FeO2)2","formula_anonymous":"AB2C4","energy":-106.08033241,"energy_per_atom":-7.5771666007142855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.56033241,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:40.903000Z","spacegroup":227},{"id":"mp-22638","created_at":"2022-09-04T14:46:53.479467Z","structure_string":"Ni4 Ge2 O8\n1.0\n0.000000 4.156559 4.156559\n4.156559 0.000000 4.156559\n4.156559 4.156559 0.000000\nNi Ge O\n4 2 8\ndirect\n0.625000 0.625000 0.625000 Ni\n0.125000 0.625000 0.625000 Ni\n0.625000 0.625000 0.125000 Ni\n0.625000 0.125000 0.625000 Ni\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 Ge\n0.375045 0.874864 0.375045 O\n0.874955 0.874955 0.375136 O\n0.874955 0.874955 0.874955 O\n0.375136 0.874955 0.874955 O\n0.375045 0.375045 0.375045 O\n0.874864 0.375045 0.375045 O\n0.874955 0.375136 0.874955 O\n0.375045 0.375045 0.874864 O\n","nsites":14,"nelements":3,"elements":["Ni","Ge","O"],"chemical_system":"Ge-Ni-O","density":5.87384772215875,"density_atomic":0.09747566162348459,"volume":143.62559603931953,"volume_molar":6.178096829197719,"formula_full":"Ni4 Ge2 O8","formula_reduced":"Ni2GeO4","formula_anonymous":"AB2C4","energy":-95.22189785,"energy_per_atom":-6.8015641321428575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.56189785,"band_gap":2.1356,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0013814,"is_theoretical":false,"updated_at":"2021-11-28T01:37:39.394000Z","spacegroup":227}]}