{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=10172","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=10170","results":[{"id":"mp-1223924","created_at":"2022-09-04T14:48:25.760399Z","structure_string":"K4 Na1 Cl5\n1.0\n-2.195656 3.148467 11.066701\n2.195656 -3.148467 11.066701\n2.195656 3.148467 -11.066701\nK Na Cl\n4 1 5\ndirect\n0.597964 0.597964 0.000000 K\n0.194728 0.194728 0.000000 K\n0.805272 0.805272 0.000000 K\n0.402036 0.402036 0.000000 K\n0.000000 0.000000 0.000000 Na\n0.298513 0.798513 0.500000 Cl\n0.910832 0.410832 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.089168 0.589168 0.500000 Cl\n0.701487 0.201487 0.500000 Cl\n","nsites":10,"nelements":3,"elements":["K","Na","Cl"],"chemical_system":"Cl-K-Na","density":1.935295294834296,"density_atomic":0.032678219660730826,"volume":306.014223045845,"volume_molar":18.428607257441143,"formula_full":"K4 Na1 Cl5","formula_reduced":"K4NaCl5","formula_anonymous":"AB4C5","energy":-37.13173748,"energy_per_atom":-3.713173748,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.06173748,"band_gap":4.9787,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0008869,"is_theoretical":true,"updated_at":"2021-11-28T01:39:26.302000Z","spacegroup":71},{"id":"mp-1210313","created_at":"2022-09-04T14:48:24.113129Z","structure_string":"Na8 Al12 S1 O28\n1.0\n9.487727 0.000000 0.000000\n0.000000 9.487727 0.000000\n0.000000 0.000000 9.487727\nNa Al S O\n8 12 1 28\ndirect\n0.797175 0.797175 0.797175 Na\n0.202825 0.202825 0.797175 Na\n0.202825 0.797175 0.202825 Na\n0.797175 0.202825 0.202825 Na\n0.233108 0.233108 0.233108 Na\n0.766892 0.766892 0.233108 Na\n0.766892 0.233108 0.766892 Na\n0.233108 0.766892 0.766892 Na\n0.251013 0.500000 0.000000 Al\n0.748987 0.500000 0.000000 Al\n0.000000 0.251013 0.500000 Al\n0.500000 0.251013 0.000000 Al\n0.000000 0.748987 0.500000 Al\n0.500000 0.748987 0.000000 Al\n0.500000 0.000000 0.251013 Al\n0.251013 0.000000 0.500000 Al\n0.500000 0.000000 0.748987 Al\n0.748987 0.000000 0.500000 Al\n0.000000 0.500000 0.251013 Al\n0.000000 0.500000 0.748987 Al\n0.000000 0.000000 0.000000 S\n0.090851 0.090851 0.090851 O\n0.909149 0.909149 0.090851 O\n0.909149 0.090851 0.909149 O\n0.090851 0.909149 0.909149 O\n0.349328 0.349328 0.040913 O\n0.650672 0.650672 0.040913 O\n0.650672 0.349328 0.959087 O\n0.040913 0.349328 0.349328 O\n0.349328 0.650672 0.959087 O\n0.040913 0.650672 0.650672 O\n0.959087 0.650672 0.349328 O\n0.959087 0.349328 0.650672 O\n0.349328 0.040913 0.349328 O\n0.349328 0.959087 0.650672 O\n0.650672 0.959087 0.349328 O\n0.650672 0.040913 0.650672 O\n0.145893 0.145893 0.543426 O\n0.854107 0.854107 0.543426 O\n0.854107 0.145893 0.456574 O\n0.543426 0.145893 0.145893 O\n0.145893 0.854107 0.456574 O\n0.543426 0.854107 0.854107 O\n0.456574 0.854107 0.145893 O\n0.456574 0.145893 0.854107 O\n0.145893 0.543426 0.145893 O\n0.145893 0.456574 0.854107 O\n0.854107 0.456574 0.145893 O\n0.854107 0.543426 0.854107 O\n","nsites":49,"nelements":4,"elements":["Na","Al","S","O"],"chemical_system":"Al-Na-O-S","density":1.9204690729882274,"density_atomic":0.057373261721577494,"volume":854.056376257437,"volume_molar":10.496423907750629,"formula_full":"Na8 Al12 S1 O28","formula_reduced":"Na8Al12SO28","formula_anonymous":"AB8C12D28","energy":-330.18466575,"energy_per_atom":-6.738462566326531,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-310.94866575,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0988786,"is_theoretical":true,"updated_at":"2021-11-28T01:39:37.544000Z","spacegroup":215},{"id":"mp-1035790","created_at":"2022-09-04T14:48:24.116396Z","structure_string":"Mg14 Fe1 Ni1 O16\n1.0\n8.537718 0.000000 0.000000\n0.000000 8.504258 0.000000\n0.000000 0.000000 4.272292\nMg Fe Ni O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.251325 0.500000 Mg\n0.000000 0.748675 0.500000 Mg\n0.500000 0.249798 0.500000 Mg\n0.500000 0.750202 0.500000 Mg\n0.249425 0.000000 0.500000 Mg\n0.249068 0.500000 0.500000 Mg\n0.750575 0.000000 0.500000 Mg\n0.750932 0.500000 0.500000 Mg\n0.250717 0.250463 0.000000 Mg\n0.250717 0.749537 0.000000 Mg\n0.749283 0.250463 0.000000 Mg\n0.749283 0.749537 0.000000 Mg\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Ni\n0.256269 0.000000 0.000000 O\n0.250348 0.500000 0.000000 O\n0.743731 0.000000 0.000000 O\n0.749652 0.500000 0.000000 O\n0.248915 0.250460 0.500000 O\n0.248915 0.749540 0.500000 O\n0.751085 0.250460 0.500000 O\n0.751085 0.749540 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.251443 0.000000 O\n0.000000 0.748557 0.000000 O\n0.500000 0.251214 0.000000 O\n0.500000 0.748786 0.000000 O\n","nsites":32,"nelements":4,"elements":["Mg","Fe","Ni","O"],"chemical_system":"Fe-Mg-Ni-O","density":3.8050171822438252,"density_atomic":0.10315987735988118,"volume":310.19811984038654,"volume_molar":5.837677316144239,"formula_full":"Mg14 Fe1 Ni1 O16","formula_reduced":"Mg14FeNiO16","formula_anonymous":"ABC14D16","energy":-206.32015238,"energy_per_atom":-6.447504761875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-190.53115238,"band_gap":3.702,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":6.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:39:30.582000Z","spacegroup":47},{"id":"mp-867811","created_at":"2022-09-04T14:48:24.117353Z","structure_string":"Ta1 Mn1 Ru2\n1.0\n0.000000 3.103609 3.103609\n3.103609 0.000000 3.103609\n3.103609 3.103609 0.000000\nTa Mn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n","nsites":4,"nelements":3,"elements":["Ta","Mn","Ru"],"chemical_system":"Mn-Ru-Ta","density":12.165162357848544,"density_atomic":0.06690044212568891,"volume":59.79033729680019,"volume_molar":9.001645682230215,"formula_full":"Ta1 Mn1 Ru2","formula_reduced":"TaMnRu2","formula_anonymous":"ABC2","energy":-40.61062242,"energy_per_atom":-10.152655605,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.61062242,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0734533,"is_theoretical":true,"updated_at":"2021-11-28T01:38:55.117000Z","spacegroup":225},{"id":"mp-1225757","created_at":"2022-09-04T14:48:24.124799Z","structure_string":"Er10 Ga4 As2\n1.0\n4.225906 -7.308224 0.000000\n4.225906 7.308224 0.000000\n0.000000 0.000000 6.428688\nEr Ga As\n10 4 2\ndirect\n0.665658 0.331580 0.246016 Er\n0.331580 0.665658 0.246016 Er\n0.331580 0.665658 0.753984 Er\n0.665658 0.331580 0.753984 Er\n0.244312 0.003507 0.500000 Er\n0.003507 0.244312 0.500000 Er\n0.756183 0.756183 0.500000 Er\n0.759307 0.999509 0.000000 Er\n0.999509 0.759307 0.000000 Er\n0.240877 0.240877 0.000000 Er\n0.398787 0.398787 0.500000 Ga\n0.396068 0.997894 0.000000 Ga\n0.997894 0.396068 0.000000 Ga\n0.601108 0.601108 0.000000 Ga\n0.607941 0.999901 0.500000 As\n0.999901 0.607941 0.500000 As\n","nsites":16,"nelements":3,"elements":["Er","Ga","As"],"chemical_system":"As-Er-Ga","density":8.787358383666938,"density_atomic":0.040293589293686455,"volume":397.0854987224238,"volume_molar":14.945654794132727,"formula_full":"Er10 Ga4 As2","formula_reduced":"Er5Ga2As","formula_anonymous":"AB2C5","energy":-78.41798682,"energy_per_atom":-4.90112417625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.41798682,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0064738,"is_theoretical":true,"updated_at":"2021-11-28T01:39:11.396000Z","spacegroup":38},{"id":"mp-1211480","created_at":"2022-09-04T14:48:24.125770Z","structure_string":"K4 Li4 Lu4 F20\n1.0\n-5.891757 0.000000 2.541105\n0.095603 0.000000 -6.238649\n0.000000 -11.724510 0.000000\nK Li Lu F\n4 4 4 20\ndirect\n0.947317 0.962513 0.349406 K\n0.052683 0.037487 0.650594 K\n0.052683 0.537487 0.849406 K\n0.947317 0.462513 0.150594 K\n0.559105 0.962567 0.745364 Li\n0.440895 0.037433 0.254636 Li\n0.440895 0.537433 0.245364 Li\n0.559105 0.462567 0.754636 Li\n0.681455 0.819999 0.997928 Lu\n0.318545 0.180001 0.002072 Lu\n0.318545 0.680001 0.497928 Lu\n0.681455 0.319999 0.502072 Lu\n0.722396 0.778246 0.809186 F\n0.277604 0.221754 0.190814 F\n0.277604 0.721754 0.309186 F\n0.722396 0.278246 0.690814 F\n0.663993 0.952979 0.530734 F\n0.336007 0.047021 0.469266 F\n0.336007 0.547021 0.030734 F\n0.663993 0.452979 0.969266 F\n0.953317 0.669503 0.506887 F\n0.046683 0.330497 0.493113 F\n0.046683 0.830497 0.006887 F\n0.953317 0.169503 0.993113 F\n0.464308 0.966853 0.896961 F\n0.535692 0.033147 0.103039 F\n0.535692 0.533147 0.396961 F\n0.464308 0.466853 0.603039 F\n0.285038 0.772995 0.671404 F\n0.714962 0.227005 0.328596 F\n0.714962 0.727005 0.171404 F\n0.285038 0.272995 0.828596 F\n","nsites":32,"nelements":4,"elements":["K","Li","Lu","F"],"chemical_system":"F-K-Li-Lu","density":4.902794713982402,"density_atomic":0.07474804364511686,"volume":428.10484983295606,"volume_molar":8.056586455414763,"formula_full":"K4 Li4 Lu4 F20","formula_reduced":"KLiLuF5","formula_anonymous":"ABCD5","energy":-190.70528646,"energy_per_atom":-5.959540201875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-181.46528646,"band_gap":7.4932,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004335,"is_theoretical":true,"updated_at":"2021-11-28T01:38:57.902000Z","spacegroup":14},{"id":"mp-11607","created_at":"2022-09-04T14:48:24.126616Z","structure_string":"Si6 N8\n1.0\n-3.244147 3.244147 3.244147\n3.244147 -3.244147 3.244147\n3.244147 3.244147 -3.244147\nSi N\n6 8\ndirect\n0.375000 0.250000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.875000 0.125000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.750000 0.875000 0.125000 Si\n0.125000 0.750000 0.875000 Si\n0.500000 0.000000 0.062750 N\n0.562750 0.500000 0.000000 N\n0.937250 0.937250 0.937250 N\n0.000000 0.562750 0.500000 N\n0.437250 0.437250 0.437250 N\n0.000000 0.062750 0.500000 N\n0.500000 0.000000 0.562750 N\n0.062750 0.500000 0.000000 N\n","nsites":14,"nelements":2,"elements":["Si","N"],"chemical_system":"N-Si","density":3.4113281709965495,"density_atomic":0.10251005573703909,"volume":136.57196749471183,"volume_molar":5.874682943737851,"formula_full":"Si6 N8","formula_reduced":"Si3N4","formula_anonymous":"A3B4","energy":-116.04520137,"energy_per_atom":-8.288942955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.15720137,"band_gap":4.026700000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.1e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:26.687000Z","spacegroup":220},{"id":"mp-1214063","created_at":"2022-09-04T14:48:24.128887Z","structure_string":"Ca20 Rh4\n1.0\n6.794716 0.000000 0.000000\n0.000000 7.557973 0.000000\n0.000000 0.000000 16.135423\nCa Rh\n20 4\ndirect\n0.355863 0.308031 0.065885 Ca\n0.644137 0.691969 0.934115 Ca\n0.855863 0.191969 0.934115 Ca\n0.644137 0.691969 0.565885 Ca\n0.144137 0.808031 0.065885 Ca\n0.355863 0.308031 0.434115 Ca\n0.144137 0.808031 0.434115 Ca\n0.855863 0.191969 0.565885 Ca\n0.155160 0.093274 0.250000 Ca\n0.844840 0.906726 0.750000 Ca\n0.655160 0.406726 0.750000 Ca\n0.344840 0.593274 0.250000 Ca\n0.322847 0.034035 0.645869 Ca\n0.677153 0.965965 0.354131 Ca\n0.822847 0.465965 0.354131 Ca\n0.677153 0.965965 0.145869 Ca\n0.177153 0.534035 0.645869 Ca\n0.322847 0.034035 0.854131 Ca\n0.177153 0.534035 0.854131 Ca\n0.822847 0.465965 0.145869 Ca\n0.536639 0.260705 0.250000 Rh\n0.463361 0.739295 0.750000 Rh\n0.036639 0.239295 0.750000 Rh\n0.963361 0.760705 0.250000 Rh\n","nsites":24,"nelements":2,"elements":["Ca","Rh"],"chemical_system":"Ca-Rh","density":2.43118526589599,"density_atomic":0.028963713388276333,"volume":828.623031800698,"volume_molar":20.792018893673998,"formula_full":"Ca20 Rh4","formula_reduced":"Ca5Rh","formula_anonymous":"AB5","energy":-75.07730511,"energy_per_atom":-3.1282210462499997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.07730511,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0534653,"is_theoretical":true,"updated_at":"2021-11-28T01:39:45.063000Z","spacegroup":62},{"id":"mp-1185920","created_at":"2022-09-04T14:48:25.897920Z","structure_string":"Mg2 In4\n1.0\n1.626776 6.370502 0.000000\n-1.626776 6.370502 0.000000\n0.000000 2.058156 7.379844\nMg In\n2 4\ndirect\n0.360287 0.360287 0.027481 Mg\n0.639713 0.639713 0.972519 Mg\n0.027215 0.027215 0.706803 In\n0.304917 0.304917 0.647095 In\n0.695083 0.695083 0.352905 In\n0.972785 0.972785 0.293197 In\n","nsites":6,"nelements":2,"elements":["Mg","In"],"chemical_system":"In-Mg","density":5.513575531642667,"density_atomic":0.039225876822472625,"volume":152.96025190602194,"volume_molar":15.35246946105204,"formula_full":"Mg2 In4","formula_reduced":"MgIn2","formula_anonymous":"AB2","energy":-14.34275728,"energy_per_atom":-2.390459546666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.34275728,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000536,"is_theoretical":true,"updated_at":"2021-11-28T01:39:40.400000Z","spacegroup":12},{"id":"mp-28005","created_at":"2022-09-04T14:48:24.132513Z","structure_string":"As8 S12 O48\n1.0\n5.472168 0.000000 0.000000\n0.000000 9.595219 0.000000\n0.000000 0.800281 19.836092\nAs S O\n8 12 48\ndirect\n0.729736 0.126536 0.129536 As\n0.229736 0.873464 0.370464 As\n0.270264 0.873464 0.870464 As\n0.770264 0.126536 0.629536 As\n0.692319 0.377677 0.371887 As\n0.192319 0.622323 0.128113 As\n0.307681 0.622323 0.628113 As\n0.807681 0.377677 0.871887 As\n0.854214 0.085818 0.347457 S\n0.354214 0.914182 0.152543 S\n0.145786 0.914182 0.652543 S\n0.645786 0.085818 0.847457 S\n0.910195 0.646106 0.315984 S\n0.410195 0.353894 0.184016 S\n0.089805 0.353894 0.684016 S\n0.589805 0.646106 0.815984 S\n0.569242 0.301196 0.514258 S\n0.069242 0.698804 0.985742 S\n0.430758 0.698804 0.485742 S\n0.930758 0.301196 0.014258 S\n0.915025 0.030084 0.283291 O\n0.415025 0.969916 0.216709 O\n0.084975 0.969916 0.716709 O\n0.584975 0.030084 0.783291 O\n0.607319 0.072544 0.373161 O\n0.107319 0.927456 0.126839 O\n0.392681 0.927456 0.626839 O\n0.892681 0.072544 0.873161 O\n0.037356 0.018924 0.401484 O\n0.537356 0.981076 0.098516 O\n0.962644 0.981076 0.598516 O\n0.462644 0.018924 0.901484 O\n0.928458 0.242690 0.348648 O\n0.428458 0.757310 0.151352 O\n0.071542 0.757310 0.651352 O\n0.571542 0.242690 0.848648 O\n0.110167 0.658461 0.268735 O\n0.662919 0.656747 0.292668 O\n0.337081 0.343253 0.707332 O\n0.837081 0.656747 0.792668 O\n0.727001 0.359298 0.964195 O\n0.227001 0.640702 0.535805 O\n0.272999 0.640702 0.035805 O\n0.772999 0.359298 0.464195 O\n0.811099 0.157657 0.038628 O\n0.311099 0.842343 0.461372 O\n0.188901 0.842343 0.961372 O\n0.688901 0.157657 0.538628 O\n0.149329 0.274434 0.977259 O\n0.649329 0.725566 0.522741 O\n0.850671 0.725566 0.022741 O\n0.350671 0.274434 0.477259 O\n0.936742 0.389361 0.071640 O\n0.436742 0.610639 0.428360 O\n0.063258 0.610639 0.928360 O\n0.563258 0.389361 0.571640 O\n0.553573 0.503481 0.858269 O\n0.053573 0.496519 0.641731 O\n0.446427 0.496519 0.141731 O\n0.946427 0.503481 0.358269 O\n0.549077 0.753579 0.872811 O\n0.049077 0.246421 0.627189 O\n0.450923 0.246421 0.127189 O\n0.950923 0.753579 0.372811 O\n0.389833 0.658461 0.768735 O\n0.889833 0.341539 0.731265 O\n0.610167 0.341539 0.231265 O\n0.162919 0.343253 0.207332 O\n","nsites":68,"nelements":3,"elements":["As","S","O"],"chemical_system":"As-O-S","density":2.7934667633025305,"density_atomic":0.06528876976005142,"volume":1041.5267472478477,"volume_molar":9.223853937105119,"formula_full":"As8 S12 O48","formula_reduced":"As2(SO4)3","formula_anonymous":"A2B3C12","energy":-437.98203187,"energy_per_atom":-6.440912233382353,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-405.00603187,"band_gap":4.4787,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.067827,"is_theoretical":false,"updated_at":"2021-11-28T01:39:34.400000Z","spacegroup":14},{"id":"mp-14613","created_at":"2022-09-04T14:48:24.138034Z","structure_string":"Pr20 Se38\n1.0\n9.399526 0.000000 0.000000\n0.000000 9.399526 0.000000\n0.000000 0.000000 17.177861\nPr Se\n20 38\ndirect\n0.000000 0.500000 0.133423 Pr\n0.000000 0.500000 0.633423 Pr\n0.500000 0.000000 0.366577 Pr\n0.500000 0.000000 0.866577 Pr\n0.398003 0.303500 0.644358 Pr\n0.196500 0.898003 0.144358 Pr\n0.803500 0.101997 0.144358 Pr\n0.601997 0.696500 0.644358 Pr\n0.101997 0.196500 0.855642 Pr\n0.303500 0.601997 0.355642 Pr\n0.696500 0.398003 0.355642 Pr\n0.898003 0.803500 0.855642 Pr\n0.206644 0.902882 0.630210 Pr\n0.597118 0.706644 0.130210 Pr\n0.402882 0.293356 0.130210 Pr\n0.793356 0.097118 0.630210 Pr\n0.293356 0.597118 0.869790 Pr\n0.902882 0.793356 0.369790 Pr\n0.097118 0.206644 0.369790 Pr\n0.706644 0.402882 0.869790 Pr\n0.000000 0.500000 0.814419 Se\n0.000000 0.500000 0.314419 Se\n0.500000 0.000000 0.685581 Se\n0.500000 0.000000 0.185581 Se\n0.399289 0.302092 0.313243 Se\n0.197908 0.899289 0.813243 Se\n0.802092 0.100711 0.813243 Se\n0.600711 0.697908 0.313243 Se\n0.100711 0.197908 0.186757 Se\n0.302092 0.600711 0.686757 Se\n0.697908 0.399289 0.686757 Se\n0.899289 0.802092 0.186757 Se\n0.798950 0.097679 0.321314 Se\n0.402321 0.298950 0.821314 Se\n0.597679 0.701050 0.821314 Se\n0.201050 0.902321 0.321314 Se\n0.701050 0.402321 0.178686 Se\n0.097679 0.201050 0.678686 Se\n0.902321 0.798950 0.678686 Se\n0.298950 0.597679 0.178686 Se\n0.816165 0.632661 0.999183 Se\n0.867339 0.316165 0.499183 Se\n0.132661 0.683835 0.499183 Se\n0.183835 0.367339 0.999183 Se\n0.683835 0.867339 0.500817 Se\n0.632661 0.183835 0.000817 Se\n0.367339 0.816165 0.000817 Se\n0.316165 0.132661 0.500817 Se\n0.076086 0.720263 0.000206 Se\n0.779737 0.576086 0.500206 Se\n0.220263 0.423914 0.500206 Se\n0.923914 0.279737 0.000206 Se\n0.423914 0.779737 0.499794 Se\n0.720263 0.923914 0.999794 Se\n0.279737 0.076086 0.999794 Se\n0.576086 0.220263 0.499794 Se\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n","nsites":58,"nelements":2,"elements":["Pr","Se"],"chemical_system":"Pr-Se","density":6.36632890539385,"density_atomic":0.03821615610998805,"volume":1517.6827264645099,"volume_molar":15.758101737568717,"formula_full":"Pr20 Se38","formula_reduced":"Pr10Se19","formula_anonymous":"A10B19","energy":-344.08587758,"energy_per_atom":-5.932515130689655,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-326.14987758,"band_gap":0.3176999999999994,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0901878,"is_theoretical":false,"updated_at":"2021-11-28T01:39:01.237000Z","spacegroup":86},{"id":"mp-1202980","created_at":"2022-09-04T14:48:24.153816Z","structure_string":"Zr4 Te8 Cl4 O22\n1.0\n7.932985 0.000000 0.000000\n-1.314638 9.617299 0.000000\n-3.314519 -4.380739 9.004527\nZr Te Cl O\n4 8 4 22\ndirect\n0.624526 0.889761 0.891345 Zr\n0.375474 0.110239 0.108655 Zr\n0.886750 0.611197 0.619199 Zr\n0.113250 0.388803 0.380801 Zr\n0.261859 0.510072 0.794240 Te\n0.738141 0.489928 0.205760 Te\n0.992725 0.738502 0.999895 Te\n0.007275 0.261498 0.000105 Te\n0.789509 0.979982 0.264509 Te\n0.210491 0.020018 0.735491 Te\n0.475884 0.760582 0.469172 Te\n0.524116 0.239418 0.530828 Te\n0.102608 0.880461 0.370404 Cl\n0.897392 0.119539 0.629596 Cl\n0.633708 0.391136 0.892924 Cl\n0.366292 0.608864 0.107076 Cl\n0.505300 0.857854 0.669844 O\n0.494700 0.142146 0.330156 O\n0.672505 0.669003 0.488379 O\n0.327495 0.330997 0.511621 O\n0.590552 0.994392 0.108076 O\n0.409448 0.005608 0.891924 O\n0.826408 0.866547 0.081545 O\n0.173592 0.133453 0.918455 O\n0.072559 0.612785 0.831201 O\n0.927441 0.387215 0.168799 O\n0.819327 0.743814 0.823730 O\n0.180673 0.256186 0.176270 O\n0.111469 0.495345 0.600827 O\n0.888531 0.504655 0.399173 O\n0.287784 0.583649 0.411547 O\n0.712216 0.416351 0.588453 O\n0.447201 0.679635 0.840032 O\n0.552799 0.320365 0.159968 O\n0.179142 0.916439 0.060344 O\n0.820858 0.083561 0.939656 O\n0.938008 0.175452 0.326096 O\n0.061992 0.824548 0.673904 O\n","nsites":38,"nelements":4,"elements":["Zr","Te","Cl","O"],"chemical_system":"Cl-O-Te-Zr","density":4.542966871281283,"density_atomic":0.05531372936495659,"volume":686.9903808018138,"volume_molar":10.88724414198559,"formula_full":"Zr4 Te8 Cl4 O22","formula_reduced":"Zr2Te4Cl2O11","formula_anonymous":"A2B2C4D11","energy":-259.37691794,"energy_per_atom":-6.825708366842105,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-241.80691794,"band_gap":3.164,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008712,"is_theoretical":false,"updated_at":"2021-11-28T01:39:32.655000Z","spacegroup":2}]}