{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=12113","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=12111","results":[{"id":"mp-1096456","created_at":"2022-09-04T14:39:42.187991Z","structure_string":"Sc1 Zn2 Cu1\n1.0\n-4.980760 5.254752 6.981702\n4.980760 -5.254752 6.981702\n4.980760 5.254752 -6.981702\nSc Zn Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.729664 0.000000 0.729664 Zn\n0.270336 0.000000 0.270336 Zn\n0.500000 0.000000 0.500000 Cu\n","nsites":4,"nelements":3,"elements":["Sc","Zn","Cu"],"chemical_system":"Cu-Sc-Zn","density":0.5436993239634229,"density_atomic":0.005472564039980224,"volume":730.9188107763933,"volume_molar":110.04239906568114,"formula_full":"Sc1 Zn2 Cu1","formula_reduced":"ScZn2Cu","formula_anonymous":"ABC2","energy":-6.35399397,"energy_per_atom":-1.5884984925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.35399397,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999967,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.087000Z","spacegroup":71},{"id":"mp-1097551","created_at":"2022-09-04T14:46:22.715328Z","structure_string":"La2 Be1 Ge1\n1.0\n-5.406773 5.990641 8.477865\n5.406773 -5.990641 8.477865\n5.406773 5.990641 -8.477865\nLa Be Ge\n2 1 1\ndirect\n0.000000 0.249432 0.249432 La\n0.000000 0.750568 0.750568 La\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Ge\n","nsites":4,"nelements":3,"elements":["La","Be","Ge"],"chemical_system":"Be-Ge-La","density":0.5434323907275538,"density_atomic":0.003641682444003919,"volume":1098.3934106023044,"volume_molar":165.36699321258882,"formula_full":"La2 Be1 Ge1","formula_reduced":"La2BeGe","formula_anonymous":"ABC2","energy":-9.93147457,"energy_per_atom":-2.4828686425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.93147457,"band_gap":0.0177,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.9998858,"is_theoretical":true,"updated_at":"2021-11-28T01:37:29.782000Z","spacegroup":71},{"id":"mp-1097359","created_at":"2022-09-04T14:46:10.959591Z","structure_string":"Ba1 Ca1 Hg2\n1.0\n-6.723908 6.898591 9.529650\n6.723908 -6.898591 9.529650\n6.723908 6.898591 -9.529650\nBa Ca Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.238050 0.000000 0.238050 Hg\n0.761950 0.000000 0.761950 Hg\n","nsites":4,"nelements":3,"elements":["Ba","Ca","Hg"],"chemical_system":"Ba-Ca-Hg","density":0.5433718880158018,"density_atomic":0.002262251524522025,"volume":1768.1499853758,"volume_molar":266.2012024181252,"formula_full":"Ba1 Ca1 Hg2","formula_reduced":"BaCaHg2","formula_anonymous":"ABC2","energy":-1.30704917,"energy_per_atom":-0.3267622925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.30704917,"band_gap":0.1807,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014464,"is_theoretical":true,"updated_at":"2021-11-28T01:37:26.776000Z","spacegroup":71},{"id":"mp-1097265","created_at":"2022-09-04T14:48:21.303131Z","structure_string":"Y2 Zn1 Os1\n1.0\n-5.686439 6.336626 9.193440\n5.686439 -6.336626 9.193440\n5.686439 6.336626 -9.193440\nY Zn Os\n2 1 1\ndirect\n0.000000 0.289611 0.289611 Y\n0.000000 0.710389 0.710389 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Os\n","nsites":4,"nelements":3,"elements":["Y","Zn","Os"],"chemical_system":"Os-Y-Zn","density":0.5431906791198091,"density_atomic":0.0030187246026456343,"volume":1325.0629078566385,"volume_molar":199.4928836741897,"formula_full":"Y2 Zn1 Os1","formula_reduced":"Y2ZnOs","formula_anonymous":"ABC2","energy":-15.68445529,"energy_per_atom":-3.9211138225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.68445529,"band_gap":0.1277999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.15e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:48.044000Z","spacegroup":71},{"id":"mp-1096582","created_at":"2022-09-04T14:47:08.380314Z","structure_string":"Sc2 Cu1 Hg1\n1.0\n-5.437066 5.931803 8.390638\n5.437066 -5.931803 8.390638\n5.437066 5.931803 -8.390638\nSc Cu Hg\n2 1 1\ndirect\n0.000000 0.231749 0.231749 Sc\n0.000000 0.768251 0.768251 Sc\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Sc","Cu","Hg"],"chemical_system":"Cu-Hg-Sc","density":0.543131169292508,"density_atomic":0.0036953339430813126,"volume":1082.4461500939872,"volume_molar":162.96607702465195,"formula_full":"Sc2 Cu1 Hg1","formula_reduced":"Sc2CuHg","formula_anonymous":"ABC2","energy":-9.18390953,"energy_per_atom":-2.2959773825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.18390953,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000027,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.588000Z","spacegroup":71},{"id":"mp-1096468","created_at":"2022-09-04T14:42:20.324862Z","structure_string":"Li1 Zn2 Cu1\n1.0\n-4.662553 5.057437 6.532385\n4.662553 -5.057437 6.532385\n4.662553 5.057437 -6.532385\nLi Zn Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.741262 0.000000 0.741262 Zn\n0.258738 0.000000 0.258738 Zn\n0.500000 0.000000 0.500000 Cu\n","nsites":4,"nelements":3,"elements":["Li","Zn","Cu"],"chemical_system":"Cu-Li-Zn","density":0.5425223473906745,"density_atomic":0.0064919320286357845,"volume":616.1493962592459,"volume_molar":92.76345983655492,"formula_full":"Li1 Zn2 Cu1","formula_reduced":"LiZn2Cu","formula_anonymous":"ABC2","energy":-4.63993638,"energy_per_atom":-1.159984095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.63993638,"band_gap":1.4406,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005932,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.350000Z","spacegroup":71},{"id":"mp-1096273","created_at":"2022-09-04T14:45:21.679525Z","structure_string":"Mn2 Cr1 Fe1\n1.0\n-4.761419 5.151687 6.793831\n4.761419 -5.151687 6.793831\n4.761419 5.151687 -6.793831\nMn Cr Fe\n2 1 1\ndirect\n0.271537 0.000000 0.271537 Mn\n0.728463 0.000000 0.728463 Mn\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Fe\n","nsites":4,"nelements":3,"elements":["Mn","Cr","Fe"],"chemical_system":"Cr-Fe-Mn","density":0.5423519646607768,"density_atomic":0.006000665126678229,"volume":666.5927718939831,"volume_molar":100.35788754860346,"formula_full":"Mn2 Cr1 Fe1","formula_reduced":"Mn2CrFe","formula_anonymous":"ABC2","energy":-24.1006382,"energy_per_atom":-6.02515955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.1006382,"band_gap":0.2353999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.273000Z","spacegroup":71},{"id":"mp-1211669","created_at":"2022-09-04T14:48:24.794649Z","structure_string":"Li1 N6 O6\n1.0\n6.807816 3.516440 0.000000\n-6.807816 3.516440 0.000000\n0.000000 3.287679 11.960857\nLi N O\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.749905 0.749905 0.505739 N\n0.250095 0.250095 0.494261 N\n0.894581 0.263736 0.000024 N\n0.105419 0.736264 0.999976 N\n0.263736 0.894581 0.000024 N\n0.736264 0.105419 0.999976 N\n0.741300 0.903698 0.504226 O\n0.258700 0.096302 0.495774 O\n0.264664 0.264664 0.000045 O\n0.096302 0.258700 0.495774 O\n0.735336 0.735336 0.999955 O\n0.903698 0.741300 0.504226 O\n","nsites":13,"nelements":3,"elements":["Li","N","O"],"chemical_system":"Li-N-O","density":0.5421698512411598,"density_atomic":0.022700741208947498,"volume":572.6685256812693,"volume_molar":26.528388234417534,"formula_full":"Li1 N6 O6","formula_reduced":"Li(NO)6","formula_anonymous":"AB6C6","energy":-83.61008071,"energy_per_atom":-6.43154467,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.48808071,"band_gap":0.0488999999999997,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.0256807,"is_theoretical":true,"updated_at":"2021-11-28T01:39:30.706000Z","spacegroup":12},{"id":"mp-1095801","created_at":"2022-09-04T14:43:58.507406Z","structure_string":"Y2 Zn1 Hg1\n1.0\n-6.030603 6.285285 8.966578\n6.030603 -6.285285 8.966578\n6.030603 6.285285 -8.966578\nY Zn Hg\n2 1 1\ndirect\n0.000000 0.251112 0.251112 Y\n0.000000 0.748888 0.748888 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Y","Zn","Hg"],"chemical_system":"Hg-Y-Zn","density":0.5420937865399165,"density_atomic":0.002942304084865853,"volume":1359.4787909837573,"volume_molar":204.67431598847014,"formula_full":"Y2 Zn1 Hg1","formula_reduced":"Y2ZnHg","formula_anonymous":"ABC2","energy":-6.81864256,"energy_per_atom":-1.70466064,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.81864256,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.6126402,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.675000Z","spacegroup":71},{"id":"mp-1096051","created_at":"2022-09-04T14:48:02.824282Z","structure_string":"Li1 Cd2 Cu1\n1.0\n-5.376745 5.456442 7.709052\n5.376745 -5.456442 7.709052\n5.376745 5.456442 -7.709052\nLi Cd Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.261587 0.261587 Cd\n0.000000 0.738413 0.738413 Cd\n0.000000 0.500000 0.500000 Cu\n","nsites":4,"nelements":3,"elements":["Li","Cd","Cu"],"chemical_system":"Cd-Cu-Li","density":0.5420456093005805,"density_atomic":0.0044215041988915,"volume":904.6695016150445,"volume_molar":136.20117700012113,"formula_full":"Li1 Cd2 Cu1","formula_reduced":"LiCd2Cu","formula_anonymous":"ABC2","energy":-4.45973893,"energy_per_atom":-1.1149347325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.45973893,"band_gap":1.3917000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001191,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.635000Z","spacegroup":71},{"id":"mp-1095936","created_at":"2022-09-04T14:43:02.154890Z","structure_string":"Al1 Zn1 Cu2\n1.0\n-4.771745 4.991418 7.057633\n4.771745 -4.991418 7.057633\n4.771745 4.991418 -7.057633\nAl Zn Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Zn\n0.000000 0.246510 0.246510 Cu\n0.000000 0.753490 0.753490 Cu\n","nsites":4,"nelements":3,"elements":["Al","Zn","Cu"],"chemical_system":"Al-Cu-Zn","density":0.5420368862793987,"density_atomic":0.005948942359125233,"volume":672.3884278126009,"volume_molar":101.23044394206453,"formula_full":"Al1 Zn1 Cu2","formula_reduced":"AlZnCu2","formula_anonymous":"ABC2","energy":-7.47828025,"energy_per_atom":-1.8695700625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.47828025,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.2e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.102000Z","spacegroup":71},{"id":"mp-1093578","created_at":"2022-09-04T14:46:12.865612Z","structure_string":"Ca2 Hg1 Bi1\n1.0\n-6.110811 6.598313 9.302533\n6.110811 -6.598313 9.302533\n6.110811 6.598313 -9.302533\nCa Hg Bi\n2 1 1\ndirect\n0.000000 0.267416 0.267416 Ca\n0.000000 0.732584 0.732584 Ca\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n","nsites":4,"nelements":3,"elements":["Ca","Hg","Bi"],"chemical_system":"Bi-Ca-Hg","density":0.542012919395413,"density_atomic":0.002666042178216822,"volume":1500.3513570349414,"volume_molar":225.88317653803583,"formula_full":"Ca2 Hg1 Bi1","formula_reduced":"Ca2HgBi","formula_anonymous":"ABC2","energy":-5.39313568,"energy_per_atom":-1.34828392,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.39313568,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008611,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.958000Z","spacegroup":71}]}