{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=99","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=97","results":[{"id":"mp-1224363","created_at":"2022-09-04T14:40:18.203834Z","structure_string":"Hf1 Nb4 C1 N4\n1.0\n-1.587697 1.587697 11.156753\n1.587697 -1.587697 11.156753\n1.587697 1.587697 -11.156753\nHf Nb C N\n1 4 1 4\ndirect\n0.000000 0.000000 0.000000 Hf\n0.400528 0.400528 0.000000 Nb\n0.799514 0.799514 0.000000 Nb\n0.200486 0.200486 0.000000 Nb\n0.599472 0.599472 0.000000 Nb\n0.500000 0.500000 0.000000 C\n0.899675 0.899675 0.000000 N\n0.299601 0.299601 0.000000 N\n0.700399 0.700399 0.000000 N\n0.100325 0.100325 0.000000 N\n","nsites":10,"nelements":4,"elements":["Hf","Nb","C","N"],"chemical_system":"C-Hf-N-Nb","density":9.124562174937227,"density_atomic":0.08889287285182729,"volume":112.4949580228854,"volume_molar":6.774604720041071,"formula_full":"Hf1 Nb4 C1 N4","formula_reduced":"HfNb4CN4","formula_anonymous":"ABC4D4","energy":-103.48589981,"energy_per_atom":-10.348589981,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-102.04189981,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0030858,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.348000Z","spacegroup":139},{"id":"mp-1221525","created_at":"2022-09-04T14:40:43.268104Z","structure_string":"Mo2 N1\n1.0\n5.071248 -1.453493 0.000000\n5.071248 1.453493 0.000000\n4.654656 0.000000 2.482816\nMo N\n2 1\ndirect\n0.756956 0.756956 0.756956 Mo\n0.243044 0.243044 0.243044 Mo\n0.000000 0.000000 0.000000 N\n","nsites":3,"nelements":2,"elements":["Mo","N"],"chemical_system":"Mo-N","density":9.34060625269432,"density_atomic":0.08196320450553671,"volume":36.60179001172833,"volume_molar":7.347371050619669,"formula_full":"Mo2 N1","formula_reduced":"Mo2N","formula_anonymous":"AB2","energy":-31.04533995,"energy_per_atom":-10.34844665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.68433995,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014973,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.274000Z","spacegroup":166},{"id":"mp-1215167","created_at":"2022-09-04T14:39:07.328636Z","structure_string":"Zr1 W1 C2\n1.0\n5.333833 -1.600973 0.000000\n5.333833 1.600973 0.000000\n4.853294 0.000000 2.731011\nZr W C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 W\n0.243578 0.243578 0.243578 C\n0.756422 0.756422 0.756422 C\n","nsites":4,"nelements":3,"elements":["Zr","W","C"],"chemical_system":"C-W-Zr","density":10.647985325421931,"density_atomic":0.08575967461101752,"volume":46.64196801285579,"volume_molar":7.022112417420876,"formula_full":"Zr1 W1 C2","formula_reduced":"ZrWC2","formula_anonymous":"ABC2","energy":-41.3852594,"energy_per_atom":-10.34631485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.3852594,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042224,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.474000Z","spacegroup":166},{"id":"mp-7234","created_at":"2022-09-04T14:41:04.121455Z","structure_string":"Nb10 N12\n1.0\n2.630285 -4.555788 0.000000\n2.630285 4.555788 0.000000\n0.000000 0.000000 10.474606\nNb N\n10 12\ndirect\n0.333333 0.666667 0.500000 Nb\n0.666667 0.333333 0.000000 Nb\n0.666667 0.333333 0.500000 Nb\n0.333333 0.666667 0.000000 Nb\n0.674978 0.000000 0.750000 Nb\n0.674978 0.674978 0.250000 Nb\n0.000000 0.325022 0.250000 Nb\n0.000000 0.674978 0.750000 Nb\n0.325022 0.325022 0.750000 Nb\n0.325022 0.000000 0.250000 Nb\n0.339343 0.339343 0.377476 N\n0.660657 0.000000 0.377476 N\n0.000000 0.660657 0.377476 N\n0.000000 0.339343 0.877476 N\n0.660657 0.000000 0.122524 N\n0.660657 0.660657 0.877476 N\n0.339343 0.000000 0.877476 N\n0.660657 0.660657 0.622524 N\n0.000000 0.339343 0.622524 N\n0.000000 0.660657 0.122524 N\n0.339343 0.000000 0.622524 N\n0.339343 0.339343 0.122524 N\n","nsites":22,"nelements":2,"elements":["Nb","N"],"chemical_system":"N-Nb","density":7.257362272865128,"density_atomic":0.08763723653731546,"volume":251.0348439687794,"volume_molar":6.8716689365664845,"formula_full":"Nb10 N12","formula_reduced":"Nb5N6","formula_anonymous":"A5B6","energy":-227.61312807,"energy_per_atom":-10.34605127590909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-223.28112807,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0191097,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.035000Z","spacegroup":193},{"id":"mp-1007786","created_at":"2022-09-04T14:41:00.891386Z","structure_string":"Hf2 Ir2\n1.0\n4.482867 0.000000 0.000000\n0.000000 3.169103 0.000000\n0.000000 1.673703 5.086373\nHf Ir\n2 2\ndirect\n0.750000 0.649113 0.213328 Hf\n0.250000 0.350887 0.786672 Hf\n0.750000 0.902957 0.684062 Ir\n0.250000 0.097043 0.315938 Ir\n","nsites":4,"nelements":2,"elements":["Hf","Ir"],"chemical_system":"Hf-Ir","density":17.03764111781878,"density_atomic":0.055355346980405486,"volume":72.26040876260622,"volume_molar":10.879058823588801,"formula_full":"Hf2 Ir2","formula_reduced":"HfIr","formula_anonymous":"AB","energy":-41.38319548,"energy_per_atom":-10.34579887,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.38319548,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002612,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.133000Z","spacegroup":11},{"id":"mp-1213095","created_at":"2022-09-04T14:43:16.633872Z","structure_string":"Eu6 Ta2 O14\n1.0\n3.790330 -5.422904 0.000000\n3.790330 5.422904 0.000000\n0.000000 0.000000 7.717820\nEu Ta O\n6 2 14\ndirect\n0.002724 0.469610 0.748303 Eu\n0.997276 0.530390 0.248303 Eu\n0.530390 0.997276 0.751697 Eu\n0.469610 0.002724 0.251697 Eu\n0.508239 0.508239 0.500000 Eu\n0.491761 0.491761 0.000000 Eu\n0.999988 0.999988 0.500000 Ta\n0.000012 0.000012 0.000000 Ta\n0.637929 0.362071 0.750000 O\n0.362071 0.637929 0.250000 O\n0.945332 0.054668 0.750000 O\n0.054668 0.945332 0.250000 O\n0.923171 0.678503 0.526735 O\n0.076829 0.321497 0.026735 O\n0.321497 0.076829 0.973265 O\n0.678503 0.923171 0.473265 O\n0.372159 0.627841 0.750000 O\n0.627841 0.372159 0.250000 O\n0.936054 0.686950 0.967360 O\n0.063946 0.313050 0.467360 O\n0.313050 0.063946 0.532640 O\n0.686950 0.936054 0.032640 O\n","nsites":22,"nelements":3,"elements":["Eu","Ta","O"],"chemical_system":"Eu-O-Ta","density":7.838483382675845,"density_atomic":0.06934084033078994,"volume":317.2733398535289,"volume_molar":8.684839599969404,"formula_full":"Eu6 Ta2 O14","formula_reduced":"Eu3TaO7","formula_anonymous":"AB3C7","energy":-227.59696211,"energy_per_atom":-10.345316459545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-217.97896211,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.0000776,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.488000Z","spacegroup":20},{"id":"mp-1189573","created_at":"2022-09-04T14:47:23.877561Z","structure_string":"Hf10 Ir6\n1.0\n3.986714 -6.905192 0.000000\n3.986714 6.905192 0.000000\n0.000000 0.000000 5.527256\nHf Ir\n10 6\ndirect\n0.666667 0.333333 0.000000 Hf\n0.333333 0.666667 0.000000 Hf\n0.333333 0.666667 0.500000 Hf\n0.666667 0.333333 0.500000 Hf\n0.759625 0.759625 0.750000 Hf\n0.240375 0.000000 0.750000 Hf\n0.000000 0.240375 0.750000 Hf\n0.240375 0.240375 0.250000 Hf\n0.759625 0.000000 0.250000 Hf\n0.000000 0.759625 0.250000 Hf\n0.399051 0.399051 0.750000 Ir\n0.600949 0.000000 0.750000 Ir\n0.000000 0.600949 0.750000 Ir\n0.600949 0.600949 0.250000 Ir\n0.399051 0.000000 0.250000 Ir\n0.000000 0.399051 0.250000 Ir\n","nsites":16,"nelements":2,"elements":["Hf","Ir"],"chemical_system":"Hf-Ir","density":16.03246616557024,"density_atomic":0.05257624520703042,"volume":304.31994405451576,"volume_molar":11.454109619822617,"formula_full":"Hf10 Ir6","formula_reduced":"Hf5Ir3","formula_anonymous":"A3B5","energy":-165.51384138,"energy_per_atom":-10.34461508625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.51384138,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0463295,"is_theoretical":false,"updated_at":"2021-11-28T01:38:00.782000Z","spacegroup":193},{"id":"mp-5957","created_at":"2022-09-04T14:47:05.729049Z","structure_string":"Eu2 Ta2 O8\n1.0\n5.687741 0.000000 0.000000\n0.000000 5.258577 0.000000\n0.000000 0.637763 5.392291\nEu Ta O\n2 2 8\ndirect\n0.778051 0.000000 0.750000 Eu\n0.221949 0.000000 0.250000 Eu\n0.679170 0.500000 0.250000 Ta\n0.320830 0.500000 0.750000 Ta\n0.569710 0.280363 0.993189 O\n0.569710 0.719637 0.506811 O\n0.430290 0.719637 0.006811 O\n0.430290 0.280363 0.493189 O\n0.099556 0.746785 0.612745 O\n0.099556 0.253215 0.887255 O\n0.900444 0.253215 0.387255 O\n0.900444 0.746785 0.112745 O\n","nsites":12,"nelements":3,"elements":["Eu","Ta","O"],"chemical_system":"Eu-O-Ta","density":8.173144821736894,"density_atomic":0.07440461525692058,"volume":161.28031787495667,"volume_molar":8.093773133837777,"formula_full":"Eu2 Ta2 O8","formula_reduced":"EuTaO4","formula_anonymous":"ABC4","energy":-124.11646605,"energy_per_atom":-10.3430388375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-118.62046605,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9999991,"is_theoretical":false,"updated_at":"2021-11-28T01:37:53.104000Z","spacegroup":13},{"id":"mp-1100774","created_at":"2022-09-04T14:43:40.952505Z","structure_string":"U3 N1\n1.0\n4.031553 0.000000 0.000000\n0.000000 4.031553 0.000000\n0.000000 0.000000 4.031553\nU N\n3 1\ndirect\n0.000000 0.500000 0.500000 U\n0.500000 0.000000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.000000 0.000000 0.000000 N\n","nsites":4,"nelements":2,"elements":["U","N"],"chemical_system":"N-U","density":18.450965170044782,"density_atomic":0.06104398412179918,"volume":65.52652251561634,"volume_molar":9.865248552558771,"formula_full":"U3 N1","formula_reduced":"U3N","formula_anonymous":"AB3","energy":-41.3620035,"energy_per_atom":-10.340500875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.0010035,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8938299,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.642000Z","spacegroup":221},{"id":"mp-542632","created_at":"2022-09-04T14:43:22.676068Z","structure_string":"Gd2 Ni2\n1.0\n1.883914 -5.211528 0.000000\n1.883914 5.211528 0.000000\n0.000000 0.000000 4.238835\nGd Ni\n2 2\ndirect\n0.860821 0.139179 0.250000 Gd\n0.139179 0.860821 0.750000 Gd\n0.427740 0.572260 0.750000 Ni\n0.572260 0.427740 0.250000 Ni\n","nsites":4,"nelements":2,"elements":["Gd","Ni"],"chemical_system":"Gd-Ni","density":8.616211914976377,"density_atomic":0.04805707512978706,"volume":83.23436224941399,"volume_molar":12.531226138370032,"formula_full":"Gd2 Ni2","formula_reduced":"GdNi","formula_anonymous":"AB","energy":-41.35347358,"energy_per_atom":-10.338368395,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.35347358,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.5306692,"is_theoretical":false,"updated_at":"2021-11-28T01:36:18.101000Z","spacegroup":63},{"id":"mp-1036","created_at":"2022-09-04T14:48:03.646378Z","structure_string":"Np2 Ru4\n1.0\n0.000000 3.698628 3.698628\n3.698628 0.000000 3.698628\n3.698628 3.698628 0.000000\nNp Ru\n2 4\ndirect\n0.500000 0.500000 0.500000 Np\n0.750000 0.750000 0.750000 Np\n0.125000 0.125000 0.125000 Ru\n0.625000 0.125000 0.125000 Ru\n0.125000 0.625000 0.125000 Ru\n0.125000 0.125000 0.625000 Ru\n","nsites":6,"nelements":2,"elements":["Np","Ru"],"chemical_system":"Np-Ru","density":14.41219520187546,"density_atomic":0.05929243625924593,"volume":101.19334570375953,"volume_molar":10.15667619672302,"formula_full":"Np2 Ru4","formula_reduced":"NpRu2","formula_anonymous":"AB2","energy":-62.02369729,"energy_per_atom":-10.337282881666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.02369729,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1806523,"is_theoretical":false,"updated_at":"2021-11-28T01:38:15.879000Z","spacegroup":227},{"id":"mp-4271","created_at":"2022-09-04T14:39:06.033944Z","structure_string":"Eu2 Ta2 O8\n1.0\n5.632070 3.581244 0.000000\n-5.632070 3.581244 0.000000\n0.000000 3.292252 3.958528\nEu Ta O\n2 2 8\ndirect\n0.633354 0.366646 0.750000 Eu\n0.366646 0.633354 0.250000 Eu\n0.097456 0.902544 0.750000 Ta\n0.902544 0.097456 0.250000 Ta\n0.796064 0.735594 0.205760 O\n0.264406 0.203936 0.294240 O\n0.203936 0.264406 0.794240 O\n0.735594 0.796064 0.705760 O\n0.359184 0.944395 0.837744 O\n0.055605 0.640816 0.662256 O\n0.640816 0.055605 0.162256 O\n0.944395 0.359184 0.337744 O\n","nsites":12,"nelements":3,"elements":["Eu","Ta","O"],"chemical_system":"Eu-O-Ta","density":8.254768392514315,"density_atomic":0.07514767934204947,"volume":159.68556986809446,"volume_molar":8.01374149238733,"formula_full":"Eu2 Ta2 O8","formula_reduced":"EuTaO4","formula_anonymous":"ABC4","energy":-124.02357175999998,"energy_per_atom":-10.335297646666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-118.52757176,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0000001,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.330000Z","spacegroup":15}]}