{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_uncorrected&page=88","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_uncorrected&page=86","results":[{"id":"mp-1009113","created_at":"2022-09-04T14:40:14.063839Z","structure_string":"Ho1 Hg2\n1.0\n2.665864 -4.617412 0.000000\n2.665864 4.617412 0.000000\n0.000000 0.000000 3.384258\nHo Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.917383 Hg\n0.333333 0.666667 0.082617 Hg\n","nsites":3,"nelements":2,"elements":["Ho","Hg"],"chemical_system":"Hg-Ho","density":11.282883199780782,"density_atomic":0.03600735144584547,"volume":83.31631957190619,"volume_molar":16.7247534689054,"formula_full":"Ho1 Hg2","formula_reduced":"HoHg2","formula_anonymous":"AB2","energy":-5.36596057,"energy_per_atom":-1.7886535233333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.36596057,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.026876,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.732000Z","spacegroup":164},{"id":"mp-1095741","created_at":"2022-09-04T14:47:57.046630Z","structure_string":"Mg1 Zn2 Pt1\n1.0\n-5.106305 5.276678 7.205836\n5.106305 -5.276678 7.205836\n5.106305 5.276678 -7.205836\nMg Zn Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.263447 0.263447 Zn\n0.000000 0.736553 0.736553 Zn\n0.000000 0.500000 0.500000 Pt\n","nsites":4,"nelements":3,"elements":["Mg","Zn","Pt"],"chemical_system":"Mg-Pt-Zn","density":0.7487937494306194,"density_atomic":0.005150486838741307,"volume":776.6256133133879,"volume_molar":116.9237190298638,"formula_full":"Mg1 Zn2 Pt1","formula_reduced":"MgZn2Pt","formula_anonymous":"ABC2","energy":-5.36654704,"energy_per_atom":-1.34163676,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.36654704,"band_gap":0.2315999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.1e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:18.115000Z","spacegroup":71},{"id":"mp-1055","created_at":"2022-09-04T14:41:53.740230Z","structure_string":"Cd1 Se1\n1.0\n0.000000 2.873958 2.873958\n2.873958 0.000000 2.873958\n2.873958 2.873958 0.000000\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Se\n","nsites":2,"nelements":2,"elements":["Cd","Se"],"chemical_system":"Cd-Se","density":6.693510929408785,"density_atomic":0.04212682695855501,"volume":47.475685789666265,"volume_molar":14.2952631251451,"formula_full":"Cd1 Se1","formula_reduced":"CdSe","formula_anonymous":"AB","energy":-5.839225000000001,"energy_per_atom":-2.9196125000000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.367225,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002648,"is_theoretical":false,"updated_at":"2021-11-28T01:35:32.459000Z","spacegroup":225},{"id":"mp-1096094","created_at":"2022-09-04T14:39:23.278107Z","structure_string":"Li1 Mg1 Ag2\n1.0\n-5.276264 5.764068 8.154382\n5.276264 -5.764068 8.154382\n5.276264 5.764068 -8.154382\nLi Mg Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250976 0.250976 Ag\n0.000000 0.749024 0.749024 Ag\n","nsites":4,"nelements":3,"elements":["Li","Mg","Ag"],"chemical_system":"Ag-Li-Mg","density":0.41343614919256366,"density_atomic":0.004032304628298033,"volume":991.9885446969149,"volume_molar":149.34736621180932,"formula_full":"Li1 Mg1 Ag2","formula_reduced":"LiMgAg2","formula_anonymous":"ABC2","energy":-5.36997387,"energy_per_atom":-1.3424934675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.36997387,"band_gap":0.7697999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006183,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.105000Z","spacegroup":71},{"id":"mp-1246134","created_at":"2022-09-04T14:47:14.470580Z","structure_string":"Ni1\n1.0\n0.000000 0.000000 -2.338222\n-1.199048 -2.076812 0.000000\n-1.199048 2.076812 0.000000\nNi\n1\ndirect\n0.000000 0.000000 0.000000 Ni\n","nsites":1,"nelements":1,"elements":["Ni"],"chemical_system":"Ni","density":8.369294959089133,"density_atomic":0.0858717885196815,"volume":11.645268105377864,"volume_molar":7.012944371852401,"formula_full":"Ni1","formula_reduced":"Ni","formula_anonymous":"A","energy":-5.37022588,"energy_per_atom":-5.37022588,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.37022588,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.4577781,"is_theoretical":true,"updated_at":"2021-11-28T01:37:59.220000Z","spacegroup":191},{"id":"mp-1095016","created_at":"2022-09-04T14:47:14.132986Z","structure_string":"Ca1 Mg2\n1.0\n-1.945551 1.945551 5.627645\n1.945551 -1.945551 5.627645\n1.945551 1.945551 -5.627645\nCa Mg\n1 2\ndirect\n0.500000 0.500000 0.000000 Ca\n0.816972 0.816972 0.000000 Mg\n0.183028 0.183028 0.000000 Mg\n","nsites":3,"nelements":2,"elements":["Ca","Mg"],"chemical_system":"Ca-Mg","density":1.7283911512672003,"density_atomic":0.035208646507531555,"volume":85.2063426908008,"volume_molar":17.10415297762665,"formula_full":"Ca1 Mg2","formula_reduced":"CaMg2","formula_anonymous":"AB2","energy":-5.37266544,"energy_per_atom":-1.7908884799999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.37266544,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0040172,"is_theoretical":true,"updated_at":"2021-11-28T01:38:00.958000Z","spacegroup":139},{"id":"mp-1187152","created_at":"2022-09-04T14:40:20.332686Z","structure_string":"Sr1 Cd3\n1.0\n0.000000 3.762230 3.762230\n3.762230 0.000000 3.762230\n3.762230 3.762230 0.000000\nSr Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n","nsites":4,"nelements":2,"elements":["Sr","Cd"],"chemical_system":"Cd-Sr","density":6.624021975535018,"density_atomic":0.03755726592283973,"volume":106.50402529880316,"volume_molar":16.03455579639984,"formula_full":"Sr1 Cd3","formula_reduced":"SrCd3","formula_anonymous":"AB3","energy":-5.37606295,"energy_per_atom":-1.3440157375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.37606295,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005772,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.235000Z","spacegroup":225},{"id":"mp-36891","created_at":"2022-09-04T14:46:01.267255Z","structure_string":"Br3 N1\n1.0\n0.000000 3.463505 3.463505\n3.463505 0.000000 3.463505\n3.463505 3.463505 0.000000\nBr N\n3 1\ndirect\n0.250000 0.250000 0.250000 Br\n0.500000 0.500000 0.500000 Br\n0.750000 0.750000 0.750000 Br\n0.000000 0.000000 0.000000 N\n","nsites":4,"nelements":2,"elements":["Br","N"],"chemical_system":"Br-N","density":5.070188694113458,"density_atomic":0.04813738996181758,"volume":83.09548987123704,"volume_molar":12.510318413143594,"formula_full":"Br3 N1","formula_reduced":"Br3N","formula_anonymous":"AB3","energy":-7.33957281,"energy_per_atom":-1.8348932025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.37657281,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005376,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.555000Z","spacegroup":225},{"id":"mp-1211065","created_at":"2022-09-04T14:42:47.191795Z","structure_string":"Mg2 Cu1 As2\n1.0\n9.960882 0.000000 0.000000\n0.000000 9.960882 0.000000\n0.000000 0.000000 31.266334\nMg Cu As\n2 1 2\ndirect\n0.500000 0.500000 0.250085 Mg\n0.500000 0.500000 0.749915 Mg\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.665107 As\n0.500000 0.500000 0.334893 As\n","nsites":5,"nelements":3,"elements":["Mg","Cu","As"],"chemical_system":"As-Cu-Mg","density":0.14024148737149794,"density_atomic":0.0016117491534989095,"volume":3102.2197152364647,"volume_molar":373.6400758720221,"formula_full":"Mg2 Cu1 As2","formula_reduced":"Mg2CuAs2","formula_anonymous":"AB2C2","energy":-5.3804974,"energy_per_atom":-1.07609948,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.3804974,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.7948773,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.165000Z","spacegroup":123},{"id":"mp-1097151","created_at":"2022-09-04T14:43:18.120841Z","structure_string":"Li2 Hg1 Bi1\n1.0\n-5.562050 5.763049 8.110341\n5.562050 -5.763049 8.110341\n5.562050 5.763049 -8.110341\nLi Hg Bi\n2 1 1\ndirect\n0.000000 0.255510 0.255510 Li\n0.000000 0.744490 0.744490 Li\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n","nsites":4,"nelements":3,"elements":["Li","Hg","Bi"],"chemical_system":"Bi-Hg-Li","density":0.6761878913004904,"density_atomic":0.003846570394241585,"volume":1039.887377594364,"volume_molar":156.55870406051326,"formula_full":"Li2 Hg1 Bi1","formula_reduced":"Li2HgBi","formula_anonymous":"ABC2","energy":-5.38115097,"energy_per_atom":-1.3452877425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.38115097,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.4351344,"is_theoretical":true,"updated_at":"2021-11-28T01:36:08.045000Z","spacegroup":71},{"id":"mp-567903","created_at":"2022-09-04T14:40:59.019161Z","structure_string":"Zn1 Ni1\n1.0\n0.000000 2.673065 2.673065\n2.673065 0.000000 2.673065\n2.673065 2.673065 0.000000\nZn Ni\n1 1\ndirect\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Ni\n","nsites":2,"nelements":2,"elements":["Zn","Ni"],"chemical_system":"Ni-Zn","density":5.394742547252879,"density_atomic":0.0523566006696807,"volume":38.19957702407109,"volume_molar":11.5021614905709,"formula_full":"Zn1 Ni1","formula_reduced":"ZnNi","formula_anonymous":"AB","energy":-5.38428647,"energy_per_atom":-2.692143235,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.38428647,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0072469,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.263000Z","spacegroup":216},{"id":"mp-23268","created_at":"2022-09-04T14:46:38.478227Z","structure_string":"Na1 I1\n1.0\n0.000000 3.265998 3.265998\n3.265998 0.000000 3.265998\n3.265998 3.265998 0.000000\nNa I\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 I\n","nsites":2,"nelements":2,"elements":["Na","I"],"chemical_system":"I-Na","density":3.5723689080929475,"density_atomic":0.028704650054537807,"volume":69.6751221910064,"volume_molar":20.979669665222005,"formula_full":"Na1 I1","formula_reduced":"NaI","formula_anonymous":"AB","energy":-5.76581822,"energy_per_atom":-2.88290911,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.38681822,"band_gap":3.5687,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003867,"is_theoretical":false,"updated_at":"2021-11-28T01:37:39.903000Z","spacegroup":225}]}