{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=10215","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=10213","results":[{"id":"mp-1094369","created_at":"2022-09-04T14:45:37.020436Z","structure_string":"Mg4 Ti2\n1.0\n1.480064 5.773297 0.000000\n-1.480064 5.773297 0.000000\n0.000000 1.639419 7.150860\nMg Ti\n4 2\ndirect\n0.141732 0.141732 0.976868 Mg\n0.529428 0.529428 0.688014 Mg\n0.470572 0.470572 0.311986 Mg\n0.858268 0.858268 0.023132 Mg\n0.798536 0.798536 0.619168 Ti\n0.201464 0.201464 0.380832 Ti\n","nsites":6,"nelements":2,"elements":["Mg","Ti"],"chemical_system":"Mg-Ti","density":2.6218643432564677,"density_atomic":0.04909741016254183,"volume":122.20603856978214,"volume_molar":12.265699433153618,"formula_full":"Mg4 Ti2","formula_reduced":"Mg2Ti","formula_anonymous":"AB2","energy":-21.38189745,"energy_per_atom":-3.563649575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.38189745,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.013699,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.190000Z","spacegroup":12},{"id":"mp-571090","created_at":"2022-09-04T14:46:11.802698Z","structure_string":"Er2 Mn4\n1.0\n0.000000 3.589492 3.589492\n3.589492 0.000000 3.589492\n3.589492 3.589492 0.000000\nEr Mn\n2 4\ndirect\n0.500000 0.500000 0.500000 Er\n0.750000 0.750000 0.750000 Er\n0.125000 0.125000 0.625000 Mn\n0.125000 0.125000 0.125000 Mn\n0.125000 0.625000 0.125000 Mn\n0.625000 0.125000 0.125000 Mn\n","nsites":6,"nelements":2,"elements":["Er","Mn"],"chemical_system":"Er-Mn","density":9.95042536468385,"density_atomic":0.06486677185704835,"volume":92.49728062963636,"volume_molar":9.283860731148193,"formula_full":"Er2 Mn4","formula_reduced":"ErMn2","formula_anonymous":"AB2","energy":-45.2587857,"energy_per_atom":-7.543130949999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.2587857,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7965259,"is_theoretical":false,"updated_at":"2021-11-28T01:37:20.110000Z","spacegroup":227},{"id":"mp-1232379","created_at":"2022-09-04T14:45:53.491466Z","structure_string":"Y2 B2 C2\n1.0\n1.512733 -2.620131 0.000000\n1.512733 2.620131 0.000000\n0.000000 0.000000 8.101519\nY B C\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n","nsites":6,"nelements":3,"elements":["Y","B","C"],"chemical_system":"B-C-Y","density":5.777735170582293,"density_atomic":0.09342637822973841,"volume":64.22169106508454,"volume_molar":6.445867723986224,"formula_full":"Y2 B2 C2","formula_reduced":"YBC","formula_anonymous":"ABC","energy":-46.4645097,"energy_per_atom":-7.74408495,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.4645097,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016084,"is_theoretical":true,"updated_at":"2021-11-28T01:37:15.188000Z","spacegroup":194},{"id":"mp-1077015","created_at":"2022-09-04T14:45:58.193524Z","structure_string":"Na4 Cl2\n1.0\n3.215793 -6.631866 0.000000\n3.215793 6.631866 0.000000\n0.000000 0.000000 4.027377\nNa Cl\n4 2\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.696406 0.303594 0.500000 Na\n0.303594 0.696406 0.500000 Na\n0.159353 0.840647 0.000000 Cl\n0.840647 0.159353 0.000000 Cl\n","nsites":6,"nelements":2,"elements":["Na","Cl"],"chemical_system":"Cl-Na","density":1.574348800234572,"density_atomic":0.0349281144292481,"volume":171.7813886619577,"volume_molar":17.24152837450962,"formula_full":"Na4 Cl2","formula_reduced":"Na2Cl","formula_anonymous":"AB2","energy":-16.02938437,"energy_per_atom":-2.6715640616666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.801384369999996,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1987255,"is_theoretical":true,"updated_at":"2021-11-28T01:37:12.198000Z","spacegroup":65},{"id":"mp-9835","created_at":"2022-09-04T14:45:58.659621Z","structure_string":"Co2 Sb4\n1.0\n3.398553 0.000000 0.000000\n0.000000 5.625834 0.000000\n0.000000 0.000000 6.422020\nCo Sb\n2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.201054 0.356842 Sb\n0.000000 0.798946 0.643158 Sb\n0.500000 0.701054 0.143158 Sb\n0.500000 0.298946 0.856842 Sb\n","nsites":6,"nelements":2,"elements":["Co","Sb"],"chemical_system":"Co-Sb","density":8.180590537294721,"density_atomic":0.048865082479162755,"volume":122.78706380079362,"volume_molar":12.324016361924665,"formula_full":"Co2 Sb4","formula_reduced":"CoSb2","formula_anonymous":"AB2","energy":-32.50946991,"energy_per_atom":-5.418244985,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.74146991,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014913,"is_theoretical":false,"updated_at":"2021-11-28T01:37:14.892000Z","spacegroup":58},{"id":"mp-1077494","created_at":"2022-09-04T14:45:42.296687Z","structure_string":"Na1 U1 O4\n1.0\n6.110560 -1.995391 0.000000\n6.110560 1.995391 0.000000\n5.458969 0.000000 3.394139\nNa U O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 U\n0.895475 0.895475 0.895475 O\n0.104525 0.104525 0.104525 O\n0.662938 0.662938 0.662938 O\n0.337062 0.337062 0.337062 O\n","nsites":6,"nelements":3,"elements":["Na","U","O"],"chemical_system":"Na-O-U","density":6.520570130550408,"density_atomic":0.07249075263956344,"volume":82.76917788166773,"volume_molar":8.307460663214695,"formula_full":"Na1 U1 O4","formula_reduced":"NaUO4","formula_anonymous":"ABC4","energy":-49.84289577,"energy_per_atom":-8.307149295,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.09489577,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0135706,"is_theoretical":false,"updated_at":"2021-11-28T01:37:16.290000Z","spacegroup":166},{"id":"mp-23862","created_at":"2022-09-04T14:45:59.802319Z","structure_string":"Ba2 H2 I2\n1.0\n4.752471 0.000000 0.000000\n0.000000 4.752471 0.000000\n0.000000 0.000000 7.932977\nBa H I\n2 2 2\ndirect\n0.500000 0.000000 0.828975 Ba\n0.000000 0.500000 0.171025 Ba\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.661567 I\n0.500000 0.000000 0.338433 I\n","nsites":6,"nelements":3,"elements":["Ba","H","I"],"chemical_system":"Ba-H-I","density":4.916341024261685,"density_atomic":0.03348698937593545,"volume":179.1740646685827,"volume_molar":17.983523966259128,"formula_full":"Ba2 H2 I2","formula_reduced":"BaHI","formula_anonymous":"ABC","energy":-22.07276236,"energy_per_atom":-3.6787937266666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.95676236,"band_gap":2.8111,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000115,"is_theoretical":false,"updated_at":"2021-11-28T01:37:21.471000Z","spacegroup":129},{"id":"mp-1224193","created_at":"2022-09-04T14:45:54.717314Z","structure_string":"Hf1 Zr1 Mo4\n1.0\n0.000000 3.806214 3.806214\n3.806214 0.000000 3.806214\n3.806214 3.806214 0.000000\nHf Zr Mo\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Zr\n0.624994 0.624994 0.125017 Mo\n0.624994 0.125017 0.624994 Mo\n0.125017 0.624994 0.624994 Mo\n0.624994 0.624994 0.624994 Mo\n","nsites":6,"nelements":3,"elements":["Hf","Zr","Mo"],"chemical_system":"Hf-Mo-Zr","density":9.839381679119771,"density_atomic":0.05440535490333331,"volume":110.28326183444108,"volume_molar":11.069022103982332,"formula_full":"Hf1 Zr1 Mo4","formula_reduced":"HfZrMo4","formula_anonymous":"ABC4","energy":-62.81945762,"energy_per_atom":-10.469909603333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.81945762,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.92e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:10.819000Z","spacegroup":216},{"id":"mp-22998","created_at":"2022-09-04T14:45:41.114081Z","structure_string":"Cr2 S2 Br2\n1.0\n3.553350 0.000000 0.000000\n0.000000 4.744935 0.000000\n0.000000 0.000000 8.760497\nCr S Br\n2 2 2\ndirect\n0.500000 0.000000 0.882382 Cr\n0.000000 0.500000 0.117618 Cr\n0.500000 0.500000 0.935321 S\n0.000000 0.000000 0.064679 S\n0.000000 0.000000 0.677322 Br\n0.500000 0.500000 0.322678 Br\n","nsites":6,"nelements":3,"elements":["Cr","S","Br"],"chemical_system":"Br-Cr-S","density":3.686663605536125,"density_atomic":0.04062134047119795,"volume":147.7056131186568,"volume_molar":14.82506655404423,"formula_full":"Cr2 S2 Br2","formula_reduced":"CrSBr","formula_anonymous":"ABC","energy":-37.53834874,"energy_per_atom":-6.256391456666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.46434874,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:12.838000Z","spacegroup":59},{"id":"mp-1185699","created_at":"2022-09-04T14:45:56.680528Z","structure_string":"Mg1 Bi5\n1.0\n5.924566 -3.060307 0.000000\n5.924566 3.060307 0.000000\n4.343779 0.000000 5.059402\nMg Bi\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.142987 0.857013 Bi\n0.857013 0.500000 0.142987 Bi\n0.142987 0.857013 0.500000 Bi\n0.329197 0.329197 0.329197 Bi\n0.670803 0.670803 0.670803 Bi\n","nsites":6,"nelements":2,"elements":["Mg","Bi"],"chemical_system":"Bi-Mg","density":9.677432916895059,"density_atomic":0.03270397401502573,"volume":183.46394224883255,"volume_molar":18.414094743449677,"formula_full":"Mg1 Bi5","formula_reduced":"MgBi5","formula_anonymous":"AB5","energy":-20.57416952,"energy_per_atom":-3.4290282533333336,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.57416952,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0052998,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.087000Z","spacegroup":155},{"id":"mp-1225134","created_at":"2022-09-04T14:45:37.888101Z","structure_string":"Eu1 Ga1 Ag4\n1.0\n2.955661 -4.795312 0.000000\n2.955661 4.795312 0.000000\n0.000000 0.000000 4.585328\nEu Ga Ag\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Eu\n0.000000 0.000000 0.500000 Ga\n0.160857 0.839143 0.000000 Ag\n0.839143 0.160857 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n","nsites":6,"nelements":3,"elements":["Eu","Ga","Ag"],"chemical_system":"Ag-Eu-Ga","density":8.344429535670027,"density_atomic":0.04616144096106845,"volume":129.9786114792272,"volume_molar":13.0458249019543,"formula_full":"Eu1 Ga1 Ag4","formula_reduced":"EuGaAg4","formula_anonymous":"ABC4","energy":-25.99178664,"energy_per_atom":-4.33196444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.99178664,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0229768,"is_theoretical":true,"updated_at":"2021-11-28T01:37:02.533000Z","spacegroup":65},{"id":"mp-1268191","created_at":"2022-09-04T14:46:00.040820Z","structure_string":"Si6\n1.0\n6.887153 0.000000 0.000000\n-3.443577 5.964449 0.000000\n0.000000 0.000000 2.464314\nSi\n6\ndirect\n0.145393 0.718647 0.000000 Si\n0.281353 0.426746 0.000000 Si\n0.573254 0.854607 0.000000 Si\n0.854607 0.281353 0.000000 Si\n0.718647 0.573254 0.000000 Si\n0.426746 0.145393 0.000000 Si\n","nsites":6,"nelements":1,"elements":["Si"],"chemical_system":"Si","density":2.7642441742530486,"density_atomic":0.059271394556317525,"volume":101.22926995245604,"volume_molar":10.16028187809548,"formula_full":"Si6","formula_reduced":"Si","formula_anonymous":"A","energy":-30.39164133,"energy_per_atom":-5.065273555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.39164133,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031506,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.436000Z","spacegroup":175}]}