{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=59","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=57","results":[{"id":"mp-1096300","created_at":"2022-09-04T14:43:37.234928Z","structure_string":"Y2 In1 Cu1\n1.0\n-5.840926 6.247359 8.815638\n5.840926 -6.247359 8.815638\n5.840926 6.247359 -8.815638\nY In Cu\n2 1 1\ndirect\n0.000000 0.240469 0.240469 Y\n0.000000 0.759531 0.759531 Y\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n","nsites":4,"nelements":3,"elements":["Y","In","Cu"],"chemical_system":"Cu-In-Y","density":0.45964387489527747,"density_atomic":0.0031086232048371256,"volume":1286.7432739277829,"volume_molar":193.72372793940866,"formula_full":"Y2 In1 Cu1","formula_reduced":"Y2InCu","formula_anonymous":"ABC2","energy":-11.07238507,"energy_per_atom":-2.7680962675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.07238507,"band_gap":0.1400000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.999877,"is_theoretical":true,"updated_at":"2021-11-28T01:36:28.308000Z","spacegroup":71},{"id":"mp-1096139","created_at":"2022-09-04T14:40:24.465083Z","structure_string":"Li1 Cd2 Ni1\n1.0\n-5.375194 5.915680 8.243327\n5.375194 -5.915680 8.243327\n5.375194 5.915680 -8.243327\nLi Cd Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.257434 0.257434 Cd\n0.000000 0.742566 0.742566 Cd\n0.000000 0.500000 0.500000 Ni\n","nsites":4,"nelements":3,"elements":["Li","Cd","Ni"],"chemical_system":"Cd-Li-Ni","density":0.46001152414694996,"density_atomic":0.003815036130162615,"volume":1048.482861898742,"volume_molar":157.85278447004663,"formula_full":"Li1 Cd2 Ni1","formula_reduced":"LiCd2Ni","formula_anonymous":"ABC2","energy":-4.84589965,"energy_per_atom":-1.2114749125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.84589965,"band_gap":0.1080999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999998,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.879000Z","spacegroup":71},{"id":"mp-1095891","created_at":"2022-09-04T14:46:02.465598Z","structure_string":"Sr2 Ag1 Sb1\n1.0\n-6.085752 6.522022 9.203731\n6.085752 -6.522022 9.203731\n6.085752 6.522022 -9.203731\nSr Ag Sb\n2 1 1\ndirect\n0.000000 0.259808 0.259808 Sr\n0.000000 0.740192 0.740192 Sr\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Sb\n","nsites":4,"nelements":3,"elements":["Sr","Ag","Sb"],"chemical_system":"Ag-Sb-Sr","density":0.46008952550354276,"density_atomic":0.002737408258530996,"volume":1461.2361848234366,"volume_molar":219.9942497153028,"formula_full":"Sr2 Ag1 Sb1","formula_reduced":"Sr2AgSb","formula_anonymous":"ABC2","energy":-7.62276499,"energy_per_atom":-1.9056912475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.43076499,"band_gap":0.3261000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004089,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.440000Z","spacegroup":71},{"id":"mp-1095716","created_at":"2022-09-04T14:40:15.502153Z","structure_string":"Zr1 Ti1 Zn2\n1.0\n-5.520015 5.636062 7.823992\n5.520015 -5.636062 7.823992\n5.520015 5.636062 -7.823992\nZr Ti Zn\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.000000 0.245546 0.245546 Zn\n0.000000 0.754454 0.754454 Zn\n","nsites":4,"nelements":3,"elements":["Zr","Ti","Zn"],"chemical_system":"Ti-Zn-Zr","density":0.46032234265687183,"density_atomic":0.004108237877819001,"volume":973.6534540992882,"volume_molar":146.58695380115282,"formula_full":"Zr1 Ti1 Zn2","formula_reduced":"ZrTiZn2","formula_anonymous":"ABC2","energy":-8.25435722,"energy_per_atom":-2.063589305,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.25435722,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9701882,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.951000Z","spacegroup":71},{"id":"mp-1097306","created_at":"2022-09-04T14:45:10.544847Z","structure_string":"Mn2 Cr1 Si1\n1.0\n-4.872441 5.088765 6.895702\n4.872441 -5.088765 6.895702\n4.872441 5.088765 -6.895702\nMn Cr Si\n2 1 1\ndirect\n0.227732 0.000000 0.227732 Mn\n0.772268 0.000000 0.772268 Mn\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Si\n","nsites":4,"nelements":3,"elements":["Mn","Cr","Si"],"chemical_system":"Cr-Mn-Si","density":0.4612204086229341,"density_atomic":0.005848742892318566,"volume":683.9076488134556,"volume_molar":102.96470319988192,"formula_full":"Mn2 Cr1 Si1","formula_reduced":"Mn2CrSi","formula_anonymous":"ABC2","energy":-22.68021994,"energy_per_atom":-5.670054985,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.75121994,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9568889,"is_theoretical":true,"updated_at":"2021-11-28T01:36:54.332000Z","spacegroup":71},{"id":"mp-1096302","created_at":"2022-09-04T14:45:57.846390Z","structure_string":"Sr2 Ga1 Hg1\n1.0\n-6.550257 6.587701 9.289148\n6.550257 -6.587701 9.289148\n6.550257 6.587701 -9.289148\nSr Ga Hg\n2 1 1\ndirect\n0.000000 0.232300 0.232300 Sr\n0.000000 0.767700 0.767700 Sr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Sr","Ga","Hg"],"chemical_system":"Ga-Hg-Sr","density":0.4614454591922697,"density_atomic":0.002494777958428298,"volume":1603.3491022663943,"volume_molar":241.38984953169657,"formula_full":"Sr2 Ga1 Hg1","formula_reduced":"Sr2GaHg","formula_anonymous":"ABC2","energy":-2.76694759,"energy_per_atom":-0.6917368975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.76694759,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999517,"is_theoretical":true,"updated_at":"2021-11-28T01:37:13.293000Z","spacegroup":71},{"id":"mp-1264151","created_at":"2022-09-04T14:47:28.256012Z","structure_string":"Li1 Al2 Ru1\n1.0\n-9.021321 0.000000 -5.208462\n-8.372223 0.054314 4.084192\n-5.823453 7.263328 -0.330409\nLi Al Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.728119 0.000000 0.000000 Al\n0.271881 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Ru\n","nsites":4,"nelements":3,"elements":["Li","Al","Ru"],"chemical_system":"Al-Li-Ru","density":0.461457627655878,"density_atomic":0.006862734673396779,"volume":582.8580282297523,"volume_molar":87.75132722739056,"formula_full":"Li1 Al2 Ru1","formula_reduced":"LiAl2Ru","formula_anonymous":"ABC2","energy":-10.26326612,"energy_per_atom":-2.56581653,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.26326612,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:13.253000Z","spacegroup":71},{"id":"mp-1096079","created_at":"2022-09-04T14:42:21.297359Z","structure_string":"Li2 Tl1 Rh1\n1.0\n-5.367531 6.017558 8.942086\n5.367531 -6.017558 8.942086\n5.367531 6.017558 -8.942086\nLi Tl Rh\n2 1 1\ndirect\n0.000000 0.226912 0.226912 Li\n0.000000 0.773088 0.773088 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Li","Tl","Rh"],"chemical_system":"Li-Rh-Tl","density":0.4616272856809746,"density_atomic":0.0034623128802347717,"volume":1155.2970913849845,"volume_molar":173.934042598474,"formula_full":"Li2 Tl1 Rh1","formula_reduced":"Li2TlRh","formula_anonymous":"ABC2","energy":-7.31566791,"energy_per_atom":-1.8289169775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.31566791,"band_gap":0.2502,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024089,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.964000Z","spacegroup":71},{"id":"mp-23156","created_at":"2022-09-04T14:43:56.764525Z","structure_string":"He2\n1.0\n1.366348 -2.366585 0.000000\n1.366348 2.366585 0.000000\n0.000000 0.000000 4.449274\nHe\n2\ndirect\n0.333333 0.666667 0.250000 He\n0.666667 0.333333 0.750000 He\n","nsites":2,"nelements":1,"elements":["He"],"chemical_system":"He","density":0.46197547512238424,"density_atomic":0.0695068193094468,"volume":28.774155109816345,"volume_molar":8.664100616069366,"formula_full":"He2","formula_reduced":"He","formula_anonymous":"A","energy":-0.01417751,"energy_per_atom":-0.007088755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.01417751,"band_gap":17.7675,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:12.785000Z","spacegroup":194},{"id":"mp-1097232","created_at":"2022-09-04T14:43:09.679160Z","structure_string":"Y2 Zn1 Ag1\n1.0\n-5.825033 6.189947 8.749519\n5.825033 -6.189947 8.749519\n5.825033 6.189947 -8.749519\nY Zn Ag\n2 1 1\ndirect\n0.000000 0.244048 0.244048 Y\n0.000000 0.755952 0.755952 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Y","Zn","Ag"],"chemical_system":"Ag-Y-Zn","density":0.4619943943726982,"density_atomic":0.0031697900722065637,"volume":1261.9132210277598,"volume_molar":189.98547609835404,"formula_full":"Y2 Zn1 Ag1","formula_reduced":"Y2ZnAg","formula_anonymous":"ABC2","energy":-8.65104101,"energy_per_atom":-2.1627602525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.65104101,"band_gap":0.0825,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0000296,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.884000Z","spacegroup":71},{"id":"mp-1093923","created_at":"2022-09-04T14:46:53.158863Z","structure_string":"Sc2 Ga1 Co1\n1.0\n-4.876169 5.218147 7.711720\n4.876169 -5.218147 7.711720\n4.876169 5.218147 -7.711720\nSc Ga Co\n2 1 1\ndirect\n0.000000 0.218067 0.218067 Sc\n0.000000 0.781933 0.781933 Sc\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Co\n","nsites":4,"nelements":3,"elements":["Sc","Ga","Co"],"chemical_system":"Co-Ga-Sc","density":0.46241233548605765,"density_atomic":0.005096284785231492,"volume":784.8854937603934,"volume_molar":118.16727309767977,"formula_full":"Sc2 Ga1 Co1","formula_reduced":"Sc2GaCo","formula_anonymous":"ABC2","energy":-14.19629164,"energy_per_atom":-3.54907291,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.19629164,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.000002,"is_theoretical":true,"updated_at":"2021-11-28T01:37:38.155000Z","spacegroup":71},{"id":"mp-1093958","created_at":"2022-09-04T14:46:41.221129Z","structure_string":"Al2 Co1 Tc1\n1.0\n-4.865583 5.245422 7.415262\n4.865583 -5.245422 7.415262\n4.865583 5.245422 -7.415262\nAl Co Tc\n2 1 1\ndirect\n0.000000 0.247745 0.247745 Al\n0.000000 0.752255 0.752255 Al\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Tc\n","nsites":4,"nelements":3,"elements":["Al","Co","Tc"],"chemical_system":"Al-Co-Tc","density":0.46261125025806615,"density_atomic":0.005283943690639424,"volume":757.0103381468755,"volume_molar":113.97057032739205,"formula_full":"Al2 Co1 Tc1","formula_reduced":"Al2CoTc","formula_anonymous":"ABC2","energy":-14.23448042,"energy_per_atom":-3.558620105,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.23448042,"band_gap":0.0108000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.448412,"is_theoretical":true,"updated_at":"2021-11-28T01:37:43.717000Z","spacegroup":71}]}