{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density_atomic&page=10120","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density_atomic&page=10118","results":[{"id":"mp-1223071","created_at":"2022-09-04T14:43:20.312965Z","structure_string":"La1 Mn1 In1\n1.0\n2.296670 -3.977950 0.000000\n2.296670 3.977950 0.000000\n0.000000 0.000000 4.096559\nLa Mn In\n1 1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.500000 Mn\n0.333333 0.666667 0.500000 In\n","nsites":3,"nelements":3,"elements":["La","Mn","In"],"chemical_system":"In-La-Mn","density":6.847380372715442,"density_atomic":0.04007874624992095,"volume":74.85264088084884,"volume_molar":15.025771321406737,"formula_full":"La1 Mn1 In1","formula_reduced":"LaMnIn","formula_anonymous":"ABC","energy":-16.96359113,"energy_per_atom":-5.654530376666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.96359113,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.1493272,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.504000Z","spacegroup":187},{"id":"mp-21106","created_at":"2022-09-04T14:45:00.030918Z","structure_string":"La4 Yb4 S12\n1.0\n7.167164 0.000000 0.000000\n0.000000 7.763529 0.000000\n0.000000 0.000000 8.968410\nLa Yb S\n4 4 12\ndirect\n0.521015 0.402393 0.750000 La\n0.478985 0.597607 0.250000 La\n0.021015 0.097607 0.250000 La\n0.978985 0.902393 0.750000 La\n0.000000 0.500000 0.000000 Yb\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.000000 0.000000 Yb\n0.815152 0.192367 0.583578 S\n0.184848 0.807633 0.083578 S\n0.315152 0.307633 0.083578 S\n0.684848 0.692367 0.583578 S\n0.815152 0.192367 0.916422 S\n0.184848 0.807633 0.416422 S\n0.315152 0.307633 0.416422 S\n0.684848 0.692367 0.916422 S\n0.813207 0.410831 0.250000 S\n0.186793 0.589169 0.750000 S\n0.313207 0.089169 0.750000 S\n0.686793 0.910831 0.250000 S\n","nsites":20,"nelements":3,"elements":["La","Yb","S"],"chemical_system":"La-S-Yb","density":5.432462949412862,"density_atomic":0.040078182599920374,"volume":499.02462393690814,"volume_molar":15.02598264027063,"formula_full":"La4 Yb4 S12","formula_reduced":"LaYbS3","formula_anonymous":"ABC3","energy":-117.52984847,"energy_per_atom":-5.8764924235,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.49384847,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0238307,"is_theoretical":false,"updated_at":"2021-11-28T01:36:53.397000Z","spacegroup":62},{"id":"mp-1224749","created_at":"2022-09-04T14:44:04.498296Z","structure_string":"La18 In10 S42\n1.0\n8.169851 -8.914720 0.000000\n8.169851 8.914720 0.000000\n-1.557650 0.000000 11.991347\nLa In S\n18 10 42\ndirect\n0.438318 0.211645 0.583241 La\n0.110200 0.878888 0.258524 La\n0.775987 0.547824 0.921464 La\n0.547824 0.921464 0.775987 La\n0.211645 0.583241 0.438318 La\n0.878888 0.258524 0.110200 La\n0.258524 0.110200 0.878888 La\n0.921464 0.775987 0.547824 La\n0.583241 0.438318 0.211645 La\n0.220536 0.449521 0.076110 La\n0.883854 0.110386 0.738275 La\n0.555023 0.785916 0.406579 La\n0.110386 0.738275 0.883854 La\n0.785916 0.406579 0.555023 La\n0.449521 0.076110 0.220536 La\n0.406579 0.555023 0.785916 La\n0.076110 0.220536 0.449521 La\n0.738275 0.883854 0.110386 La\n0.889571 0.555985 0.222345 In\n0.555985 0.222345 0.889571 In\n0.222345 0.889571 0.555985 In\n0.389746 0.722854 0.055371 In\n0.055371 0.389746 0.722854 In\n0.722854 0.055371 0.389746 In\n0.000697 0.000697 0.000697 In\n0.689012 0.689012 0.689012 In\n0.188969 0.188969 0.188969 In\n0.500715 0.500715 0.500715 In\n0.951292 0.804507 0.054772 S\n0.614356 0.474286 0.709669 S\n0.275969 0.125989 0.375523 S\n0.125989 0.375523 0.275969 S\n0.804507 0.054772 0.951292 S\n0.474286 0.709669 0.614356 S\n0.709669 0.614356 0.474286 S\n0.375523 0.275969 0.125989 S\n0.054772 0.951292 0.804507 S\n0.422563 0.569004 0.318907 S\n0.084708 0.224626 0.989130 S\n0.742183 0.892371 0.642757 S\n0.224626 0.989130 0.084708 S\n0.892371 0.642757 0.742183 S\n0.569004 0.318907 0.422563 S\n0.642757 0.742183 0.892371 S\n0.318907 0.422563 0.569004 S\n0.989130 0.084708 0.224626 S\n0.809937 0.386179 0.300229 S\n0.482298 0.048847 0.966602 S\n0.146465 0.717104 0.632888 S\n0.717104 0.632888 0.146465 S\n0.386179 0.300229 0.809937 S\n0.048847 0.966602 0.482298 S\n0.966602 0.482298 0.048847 S\n0.632888 0.146465 0.717104 S\n0.300229 0.809937 0.386179 S\n0.347846 0.781421 0.865075 S\n0.021337 0.445919 0.529984 S\n0.685443 0.114334 0.199038 S\n0.445919 0.529984 0.021337 S\n0.114334 0.199038 0.685443 S\n0.781421 0.865075 0.347846 S\n0.199038 0.685443 0.114334 S\n0.865075 0.347846 0.781421 S\n0.529984 0.021337 0.445919 S\n0.682324 0.352477 0.016529 S\n0.352477 0.016529 0.682324 S\n0.016529 0.682324 0.352477 S\n0.516869 0.852222 0.182266 S\n0.182266 0.516869 0.852222 S\n0.852222 0.182266 0.516869 S\n","nsites":70,"nelements":3,"elements":["La","In","S"],"chemical_system":"In-La-S","density":4.748789347123615,"density_atomic":0.0400754336656749,"volume":1746.705989109629,"volume_molar":15.02701333250459,"formula_full":"La18 In10 S42","formula_reduced":"La9In5S21","formula_anonymous":"A5B9C21","energy":-423.430012,"energy_per_atom":-6.049000171428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-402.304012,"band_gap":1.8562000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0034467,"is_theoretical":true,"updated_at":"2021-11-28T01:36:28.508000Z","spacegroup":146},{"id":"mp-566801","created_at":"2022-09-04T14:48:11.458047Z","structure_string":"V4 O8\n1.0\n7.266980 0.000000 0.000000\n0.000000 4.620208 0.000000\n0.000000 1.768943 8.918446\nV O\n4 8\ndirect\n0.000000 0.655578 0.293154 V\n0.000000 0.344422 0.706846 V\n0.187332 0.000000 0.500000 V\n0.812668 0.000000 0.500000 V\n0.000000 0.247032 0.383607 O\n0.000000 0.752968 0.616393 O\n0.773815 0.236652 0.641684 O\n0.773815 0.763348 0.358316 O\n0.226185 0.763348 0.358316 O\n0.226185 0.236652 0.641684 O\n0.000000 0.317215 0.886537 O\n0.000000 0.682785 0.113463 O\n","nsites":12,"nelements":2,"elements":["V","O"],"chemical_system":"O-V","density":1.8397974429639241,"density_atomic":0.0400752800818625,"volume":299.43645996952193,"volume_molar":15.027070921771385,"formula_full":"V4 O8","formula_reduced":"VO2","formula_anonymous":"AB2","energy":-99.63514826,"energy_per_atom":-8.302929021666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.33914826,"band_gap":0.3535999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0016753,"is_theoretical":true,"updated_at":"2021-11-28T01:38:31.664000Z","spacegroup":10},{"id":"mp-1184926","created_at":"2022-09-04T14:43:10.936309Z","structure_string":"Ho1 Np3\n1.0\n4.638694 0.000000 0.000000\n0.000000 4.638694 0.000000\n0.000000 0.000000 4.638694\nHo Np\n1 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.000000 0.500000 Np\n0.000000 0.500000 0.500000 Np\n0.500000 0.500000 0.000000 Np\n","nsites":4,"nelements":2,"elements":["Ho","Np"],"chemical_system":"Ho-Np","density":14.57241342092121,"density_atomic":0.04007493420893463,"volume":99.81301476742556,"volume_molar":15.027200615234882,"formula_full":"Ho1 Np3","formula_reduced":"HoNp3","formula_anonymous":"AB3","energy":-40.67044408,"energy_per_atom":-10.16761102,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.67044408,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.2136874,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.491000Z","spacegroup":221},{"id":"mp-15071","created_at":"2022-09-04T14:48:21.916792Z","structure_string":"Na12 Fe2 Se8\n1.0\n4.678955 -8.104188 0.000000\n4.678955 8.104188 0.000000\n0.000000 0.000000 7.238782\nNa Fe Se\n12 2 8\ndirect\n0.148234 0.851766 0.541557 Na\n0.296468 0.148234 0.041557 Na\n0.851766 0.703532 0.041557 Na\n0.148234 0.296468 0.541557 Na\n0.703532 0.851766 0.541557 Na\n0.851766 0.148234 0.041557 Na\n0.530022 0.469978 0.369938 Na\n0.060043 0.530022 0.869938 Na\n0.469978 0.939957 0.869938 Na\n0.530022 0.060043 0.369938 Na\n0.939957 0.469978 0.369938 Na\n0.469978 0.530022 0.869938 Na\n0.333333 0.666667 0.252791 Fe\n0.666667 0.333333 0.752791 Fe\n0.333333 0.666667 0.595858 Se\n0.666667 0.333333 0.095858 Se\n0.187979 0.812021 0.145022 Se\n0.375957 0.187979 0.645022 Se\n0.812021 0.624043 0.645022 Se\n0.187979 0.375957 0.145022 Se\n0.624043 0.812021 0.145022 Se\n0.812021 0.187979 0.645022 Se\n","nsites":22,"nelements":3,"elements":["Na","Fe","Se"],"chemical_system":"Fe-Na-Se","density":3.083008832044393,"density_atomic":0.04007456453090585,"volume":548.9766453490321,"volume_molar":15.027339237474866,"formula_full":"Na12 Fe2 Se8","formula_reduced":"Na6FeSe4","formula_anonymous":"AB4C6","energy":-81.42245324999999,"energy_per_atom":-3.701020602272727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.64645325,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002776,"is_theoretical":false,"updated_at":"2021-11-28T01:39:01.240000Z","spacegroup":186},{"id":"mp-569322","created_at":"2022-09-04T14:44:18.878474Z","structure_string":"Te8 Ir4\n1.0\n4.049805 0.000000 0.000000\n0.000000 5.441863 0.000000\n0.000000 0.000000 13.587474\nTe Ir\n8 4\ndirect\n0.250000 0.768068 0.949330 Te\n0.250000 0.731932 0.449330 Te\n0.250000 0.300227 0.807777 Te\n0.750000 0.268068 0.550670 Te\n0.750000 0.231932 0.050670 Te\n0.750000 0.699773 0.192223 Te\n0.250000 0.199773 0.307777 Te\n0.750000 0.800227 0.692223 Te\n0.750000 0.479733 0.365640 Ir\n0.750000 0.020267 0.865640 Ir\n0.250000 0.979733 0.134360 Ir\n0.250000 0.520267 0.634360 Ir\n","nsites":12,"nelements":2,"elements":["Te","Ir"],"chemical_system":"Ir-Te","density":9.924328423353325,"density_atomic":0.04007382558187753,"volume":299.44732816890644,"volume_molar":15.02761633699223,"formula_full":"Te8 Ir4","formula_reduced":"Te2Ir","formula_anonymous":"AB2","energy":-67.32010921,"energy_per_atom":-5.6100091008333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.94410921,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006123,"is_theoretical":true,"updated_at":"2021-11-28T01:36:29.617000Z","spacegroup":62},{"id":"mp-1232386","created_at":"2022-09-04T14:39:27.286347Z","structure_string":"Nd8 Mg4 S16\n1.0\n8.232106 0.000000 0.000000\n0.000000 7.237986 0.000000\n0.000000 0.000000 11.726578\nNd Mg S\n8 4 16\ndirect\n0.031457 0.750000 0.314091 Nd\n0.968543 0.250000 0.685909 Nd\n0.468543 0.250000 0.814091 Nd\n0.531457 0.750000 0.185909 Nd\n0.086319 0.250000 0.035359 Nd\n0.913681 0.750000 0.964641 Nd\n0.413681 0.750000 0.535359 Nd\n0.586319 0.250000 0.464641 Nd\n0.192099 0.250000 0.415073 Mg\n0.807901 0.750000 0.584927 Mg\n0.307901 0.750000 0.915073 Mg\n0.692099 0.250000 0.084927 Mg\n0.142896 0.494789 0.846112 S\n0.857104 0.505211 0.153888 S\n0.357104 0.505211 0.346112 S\n0.642896 0.494789 0.653888 S\n0.642896 0.005211 0.653888 S\n0.357104 0.994789 0.346112 S\n0.857104 0.994789 0.153888 S\n0.142896 0.005211 0.846112 S\n0.912097 0.250000 0.444254 S\n0.087903 0.750000 0.555746 S\n0.587903 0.750000 0.944254 S\n0.412097 0.250000 0.055746 S\n0.205767 0.750000 0.108866 S\n0.794233 0.250000 0.891134 S\n0.294233 0.250000 0.608866 S\n0.705767 0.750000 0.391134 S\n","nsites":28,"nelements":3,"elements":["Nd","Mg","S"],"chemical_system":"Mg-Nd-S","density":4.192720782560798,"density_atomic":0.04007357075989025,"volume":698.7148753917702,"volume_molar":15.027711895411073,"formula_full":"Nd8 Mg4 S16","formula_reduced":"Nd2MgS4","formula_anonymous":"AB2C4","energy":-165.67936809,"energy_per_atom":-5.9171202889285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-157.63136809,"band_gap":1.6672000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0018709,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.218000Z","spacegroup":62},{"id":"mp-20979","created_at":"2022-09-04T14:43:52.485549Z","structure_string":"Tm3 Mg3 In3\n1.0\n3.728057 -6.457184 0.000000\n3.728057 6.457184 0.000000\n0.000000 0.000000 4.664768\nTm Mg In\n3 3 3\ndirect\n0.000000 0.563898 0.000000 Tm\n0.436102 0.436102 0.000000 Tm\n0.563898 0.000000 0.000000 Tm\n0.758544 0.758544 0.500000 Mg\n0.241456 0.000000 0.500000 Mg\n0.000000 0.241456 0.500000 Mg\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333333 0.666667 0.500000 In\n","nsites":9,"nelements":3,"elements":["Tm","Mg","In"],"chemical_system":"In-Mg-Tm","density":6.833071722891979,"density_atomic":0.04007345234930714,"volume":224.5875878511777,"volume_molar":15.027756299873978,"formula_full":"Tm3 Mg3 In3","formula_reduced":"TmMgIn","formula_anonymous":"ABC","energy":-29.64317522,"energy_per_atom":-3.2936861355555553,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.64317522,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002473,"is_theoretical":false,"updated_at":"2021-11-28T01:36:31.682000Z","spacegroup":189},{"id":"mp-1215652","created_at":"2022-09-04T14:40:09.703543Z","structure_string":"Zn4 Cd1 Se5\n1.0\n16.996978 -2.061262 0.000000\n16.996978 2.061262 0.000000\n16.747004 0.000000 3.561448\nZn Cd Se\n4 1 5\ndirect\n0.597345 0.597345 0.597345 Zn\n0.199221 0.199221 0.199221 Zn\n0.800743 0.800743 0.800743 Zn\n0.402862 0.402862 0.402862 Zn\n0.998908 0.998908 0.998908 Cd\n0.946388 0.946388 0.946388 Se\n0.548404 0.548404 0.548404 Se\n0.150134 0.150134 0.150134 Se\n0.751843 0.751843 0.751843 Se\n0.354151 0.354151 0.354151 Se\n","nsites":10,"nelements":3,"elements":["Zn","Cd","Se"],"chemical_system":"Cd-Se-Zn","density":5.115964343859006,"density_atomic":0.04007176644053619,"volume":249.55226305881294,"volume_molar":15.028388551167197,"formula_full":"Zn4 Cd1 Se5","formula_reduced":"Zn4CdSe5","formula_anonymous":"AB4C5","energy":-32.4690267,"energy_per_atom":-3.24690267,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.1090267,"band_gap":0.9044,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0019665,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.240000Z","spacegroup":160},{"id":"mp-866104","created_at":"2022-09-04T14:39:36.620697Z","structure_string":"Ca1 Cd1 Hg2\n1.0\n0.000000 3.681838 3.681838\n3.681838 0.000000 3.681838\n3.681838 3.681838 0.000000\nCa Cd Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n","nsites":4,"nelements":3,"elements":["Ca","Cd","Hg"],"chemical_system":"Ca-Cd-Hg","density":9.210331943210909,"density_atomic":0.04007153402304139,"volume":99.82148419124594,"volume_molar":15.028475716794945,"formula_full":"Ca1 Cd1 Hg2","formula_reduced":"CaCdHg2","formula_anonymous":"ABC2","energy":-5.02152542,"energy_per_atom":-1.255381355,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.02152542,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024461,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.870000Z","spacegroup":225},{"id":"mp-1028103","created_at":"2022-09-04T14:46:23.828401Z","structure_string":"Ce1 Y1 Mg14\n1.0\n6.658142 0.000000 0.000000\n-3.329071 5.766119 0.000000\n0.000000 0.000000 10.400350\nCe Y Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Ce\n0.166667 0.333333 0.125000 Y\n0.172625 0.836312 0.125000 Mg\n0.174478 0.837239 0.625000 Mg\n0.663688 0.327375 0.125000 Mg\n0.662761 0.325522 0.625000 Mg\n0.663688 0.836312 0.125000 Mg\n0.662761 0.837239 0.625000 Mg\n0.336996 0.163004 0.374397 Mg\n0.336996 0.163004 0.875603 Mg\n0.336996 0.673993 0.374397 Mg\n0.336996 0.673993 0.875603 Mg\n0.826007 0.163004 0.374397 Mg\n0.826007 0.163004 0.875603 Mg\n0.833333 0.666667 0.377632 Mg\n0.833333 0.666667 0.872368 Mg\n","nsites":16,"nelements":3,"elements":["Ce","Y","Mg"],"chemical_system":"Ce-Mg-Y","density":2.36755161019669,"density_atomic":0.040071479141944595,"volume":399.28648361902094,"volume_molar":15.028496299494863,"formula_full":"Ce1 Y1 Mg14","formula_reduced":"CeYMg14","formula_anonymous":"ABC14","energy":-34.19278526,"energy_per_atom":-2.13704907875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.19278526,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.6310311,"is_theoretical":true,"updated_at":"2021-11-28T01:37:39.374000Z","spacegroup":187}]}