{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=12123","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=12121","results":[{"id":"mp-1187893","created_at":"2022-09-04T14:43:58.444271Z","structure_string":"Y1 Np3\n1.0\n-2.299914 2.299914 4.600744\n2.299914 -2.299914 4.600744\n2.299914 2.299914 -4.600744\nY Np\n1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.750000 0.250000 0.500000 Np\n0.250000 0.750000 0.500000 Np\n0.500000 0.500000 0.000000 Np\n","nsites":4,"nelements":2,"elements":["Y","Np"],"chemical_system":"Np-Y","density":13.645099815168937,"density_atomic":0.041091191819434485,"volume":97.34446295880278,"volume_molar":14.65555145361291,"formula_full":"Y1 Np3","formula_reduced":"YNp3","formula_anonymous":"AB3","energy":-42.50436171,"energy_per_atom":-10.6260904275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.50436171,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.5479459,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.107000Z","spacegroup":139},{"id":"mp-775757","created_at":"2022-09-04T14:41:54.058932Z","structure_string":"Hf8 O16\n1.0\n5.184204 0.000000 0.000000\n0.000000 5.296772 0.000000\n0.000000 0.000000 10.168925\nHf O\n8 16\ndirect\n0.958737 0.342789 0.137946 Hf\n0.541263 0.842789 0.137946 Hf\n0.458737 0.342789 0.362054 Hf\n0.041263 0.842789 0.362054 Hf\n0.958737 0.157211 0.637946 Hf\n0.541263 0.657211 0.637946 Hf\n0.458737 0.157211 0.862054 Hf\n0.041263 0.657211 0.862054 Hf\n0.832426 0.667500 0.033559 O\n0.667574 0.167500 0.033559 O\n0.248913 0.087304 0.224333 O\n0.251087 0.587304 0.224333 O\n0.748913 0.087304 0.275667 O\n0.751087 0.587304 0.275667 O\n0.167574 0.167500 0.466441 O\n0.332426 0.667500 0.466441 O\n0.667574 0.332500 0.533559 O\n0.832426 0.832500 0.533559 O\n0.248913 0.412696 0.724333 O\n0.251087 0.912696 0.724333 O\n0.748913 0.412696 0.775667 O\n0.751087 0.912696 0.775667 O\n0.167574 0.332500 0.966441 O\n0.332426 0.832500 0.966441 O\n","nsites":24,"nelements":2,"elements":["Hf","O"],"chemical_system":"Hf-O","density":10.01381746085522,"density_atomic":0.08594939728155025,"volume":279.2340698025092,"volume_molar":7.006611972243232,"formula_full":"Hf8 O16","formula_reduced":"HfO2","formula_anonymous":"AB2","energy":-255.06922878999995,"energy_per_atom":-10.627884532916665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-244.07722879,"band_gap":4.016500000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.717000Z","spacegroup":61},{"id":"mp-1001828","created_at":"2022-09-04T14:47:28.960721Z","structure_string":"W1 N1\n1.0\n0.000000 2.336981 2.336981\n2.336981 0.000000 2.336981\n2.336981 2.336981 0.000000\nW N\n1 1\ndirect\n0.000000 0.000000 0.000000 W\n0.250000 0.250000 0.250000 N\n","nsites":2,"nelements":2,"elements":["W","N"],"chemical_system":"N-W","density":12.870113236711585,"density_atomic":0.07834917998167334,"volume":25.526750892195935,"volume_molar":7.686284350912976,"formula_full":"W1 N1","formula_reduced":"WN","formula_anonymous":"AB","energy":-21.257235,"energy_per_atom":-10.6286175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.896235,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0129959,"is_theoretical":true,"updated_at":"2021-11-28T01:38:08.315000Z","spacegroup":216},{"id":"mp-972353","created_at":"2022-09-04T14:39:40.523498Z","structure_string":"U3 Pa1\n1.0\n-2.013725 2.013725 5.273411\n2.013725 -2.013725 5.273411\n2.013725 2.013725 -5.273411\nU Pa\n3 1\ndirect\n0.750000 0.250000 0.500000 U\n0.250000 0.750000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.000000 0.000000 0.000000 Pa\n","nsites":4,"nelements":2,"elements":["U","Pa"],"chemical_system":"Pa-U","density":18.347855647709608,"density_atomic":0.0467636127730993,"volume":85.53659058397203,"volume_molar":12.877834715679255,"formula_full":"U3 Pa1","formula_reduced":"U3Pa","formula_anonymous":"AB3","energy":-42.52131337,"energy_per_atom":-10.6303283425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.52131337,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9826886,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.502000Z","spacegroup":139},{"id":"mp-1193800","created_at":"2022-09-04T14:44:53.692048Z","structure_string":"Hf18 Re8 Se2\n1.0\n4.329633 -7.499144 0.000000\n4.329633 7.499144 0.000000\n0.000000 0.000000 8.616004\nHf Re Se\n18 8 2\ndirect\n0.191463 0.808537 0.451489 Hf\n0.191463 0.382926 0.451489 Hf\n0.617074 0.808537 0.451489 Hf\n0.808537 0.191463 0.548511 Hf\n0.808537 0.617074 0.548511 Hf\n0.382926 0.191463 0.548511 Hf\n0.808537 0.191463 0.951489 Hf\n0.808537 0.617074 0.951489 Hf\n0.382926 0.191463 0.951489 Hf\n0.191463 0.808537 0.048511 Hf\n0.191463 0.382926 0.048511 Hf\n0.617074 0.808537 0.048511 Hf\n0.543913 0.456087 0.250000 Hf\n0.543913 0.087826 0.250000 Hf\n0.912174 0.456087 0.250000 Hf\n0.456087 0.543913 0.750000 Hf\n0.456087 0.912174 0.750000 Hf\n0.087826 0.543913 0.750000 Hf\n0.889489 0.110511 0.250000 Re\n0.889489 0.778978 0.250000 Re\n0.221022 0.110511 0.250000 Re\n0.110511 0.889489 0.750000 Re\n0.110511 0.221022 0.750000 Re\n0.778978 0.889489 0.750000 Re\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.333333 0.666667 0.250000 Se\n0.666667 0.333333 0.750000 Se\n","nsites":28,"nelements":3,"elements":["Hf","Re","Se"],"chemical_system":"Hf-Re-Se","density":14.425208081434208,"density_atomic":0.050044846973040784,"volume":559.4981640184379,"volume_molar":12.033488209573573,"formula_full":"Hf18 Re8 Se2","formula_reduced":"Hf9Re4Se","formula_anonymous":"AB4C9","energy":-297.68774084,"energy_per_atom":-10.631705030000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-296.74374084,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3122254,"is_theoretical":false,"updated_at":"2021-11-28T01:36:39.109000Z","spacegroup":194},{"id":"mp-1194253","created_at":"2022-09-04T14:43:52.181690Z","structure_string":"Hf18 W8 Se2\n1.0\n4.373547 -7.575206 0.000000\n4.373547 7.575206 0.000000\n0.000000 0.000000 8.656216\nHf W Se\n18 8 2\ndirect\n0.193296 0.806704 0.452262 Hf\n0.193296 0.386591 0.452262 Hf\n0.613409 0.806704 0.452262 Hf\n0.806704 0.193296 0.547738 Hf\n0.806704 0.613409 0.547738 Hf\n0.386591 0.193296 0.547738 Hf\n0.806704 0.193296 0.952262 Hf\n0.806704 0.613409 0.952262 Hf\n0.386591 0.193296 0.952262 Hf\n0.193296 0.806704 0.047738 Hf\n0.193296 0.386591 0.047738 Hf\n0.613409 0.806704 0.047738 Hf\n0.542566 0.457434 0.250000 Hf\n0.542566 0.085133 0.250000 Hf\n0.914867 0.457434 0.250000 Hf\n0.457434 0.542566 0.750000 Hf\n0.457434 0.914867 0.750000 Hf\n0.085133 0.542566 0.750000 Hf\n0.889917 0.110083 0.250000 W\n0.889917 0.779834 0.250000 W\n0.220166 0.110083 0.250000 W\n0.110083 0.889917 0.750000 W\n0.110083 0.220166 0.750000 W\n0.779834 0.889917 0.750000 W\n0.000000 0.000000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.333333 0.666667 0.250000 Se\n0.666667 0.333333 0.750000 Se\n","nsites":28,"nelements":3,"elements":["Hf","W","Se"],"chemical_system":"Hf-Se-W","density":14.016485091503762,"density_atomic":0.04881706951824699,"volume":573.5698655474204,"volume_molar":12.336137378645857,"formula_full":"Hf18 W8 Se2","formula_reduced":"Hf9W4Se","formula_anonymous":"AB4C9","energy":-297.69105799,"energy_per_atom":-10.631823499642858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-296.74705799,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018442,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.418000Z","spacegroup":194},{"id":"mp-1224449","created_at":"2022-09-04T14:47:07.524724Z","structure_string":"Hf1 Mo4\n1.0\n-1.612870 -1.643984 1.643984\n-1.612870 1.643984 -1.643984\n1.612870 -7.931322 -7.931322\nHf Mo\n1 4\ndirect\n0.000000 0.000000 0.000000 Hf\n0.605926 0.605926 0.211852 Mo\n0.200979 0.200979 0.401958 Mo\n0.799021 0.799021 0.598042 Mo\n0.394074 0.394074 0.788148 Mo\n","nsites":5,"nelements":2,"elements":["Hf","Mo"],"chemical_system":"Hf-Mo","density":11.098800316431387,"density_atomic":0.0594384506854427,"volume":84.12063138154052,"volume_molar":10.131725659994206,"formula_full":"Hf1 Mo4","formula_reduced":"HfMo4","formula_anonymous":"AB4","energy":-53.16340908,"energy_per_atom":-10.632681816,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.16340908,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016771,"is_theoretical":true,"updated_at":"2021-11-28T01:37:57.023000Z","spacegroup":69},{"id":"mp-862779","created_at":"2022-09-04T14:42:03.248095Z","structure_string":"Tc6 Os2\n1.0\n2.765550 -4.790074 0.000000\n2.765550 4.790074 0.000000\n0.000000 0.000000 4.381030\nTc Os\n6 2\ndirect\n0.833633 0.166367 0.750000 Tc\n0.332734 0.166367 0.750000 Tc\n0.833633 0.667266 0.750000 Tc\n0.166367 0.833633 0.250000 Tc\n0.667266 0.833633 0.250000 Tc\n0.166367 0.332734 0.250000 Tc\n0.666667 0.333333 0.250000 Os\n0.333333 0.666667 0.750000 Os\n","nsites":8,"nelements":2,"elements":["Tc","Os"],"chemical_system":"Os-Tc","density":13.85481799898635,"density_atomic":0.06892234204647454,"volume":116.07266616978245,"volume_molar":8.7375741757865,"formula_full":"Tc6 Os2","formula_reduced":"Tc3Os","formula_anonymous":"AB3","energy":-85.0623029,"energy_per_atom":-10.6327878625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.0623029,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004897,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.003000Z","spacegroup":194},{"id":"mp-1009831","created_at":"2022-09-04T14:47:57.307476Z","structure_string":"Ta1 N1\n1.0\n2.754331 0.000000 0.000000\n0.000000 2.754331 0.000000\n0.000000 0.000000 2.754331\nTa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 N\n","nsites":2,"nelements":2,"elements":["Ta","N"],"chemical_system":"N-Ta","density":15.492951076403019,"density_atomic":0.09571535298338232,"volume":20.89528939361725,"volume_molar":6.291718697464907,"formula_full":"Ta1 N1","formula_reduced":"TaN","formula_anonymous":"AB","energy":-21.26687767,"energy_per_atom":-10.633438835,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.90587767,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002484,"is_theoretical":true,"updated_at":"2021-11-28T01:38:15.895000Z","spacegroup":221},{"id":"mp-1192440","created_at":"2022-09-04T14:46:29.594140Z","structure_string":"Eu5 Ta4 O15\n1.0\n2.851058 -4.938178 0.000000\n2.851058 4.938178 0.000000\n0.000000 0.000000 11.536944\nEu Ta O\n5 4 15\ndirect\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.230978 Eu\n0.333333 0.666667 0.769022 Eu\n0.666667 0.333333 0.561385 Eu\n0.333333 0.666667 0.438615 Eu\n0.666667 0.333333 0.895520 Ta\n0.333333 0.666667 0.104480 Ta\n0.000000 0.000000 0.680455 Ta\n0.000000 0.000000 0.319545 Ta\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.329386 0.164693 0.802648 O\n0.835307 0.670614 0.802648 O\n0.835307 0.164693 0.802648 O\n0.670614 0.835307 0.197352 O\n0.164693 0.329386 0.197352 O\n0.164693 0.835307 0.197352 O\n0.340634 0.170317 0.395662 O\n0.829683 0.659366 0.395662 O\n0.829683 0.170317 0.395662 O\n0.659366 0.829683 0.604338 O\n0.170317 0.340634 0.604338 O\n0.170317 0.829683 0.604338 O\n","nsites":24,"nelements":3,"elements":["Eu","Ta","O"],"chemical_system":"Eu-O-Ta","density":8.810339518858559,"density_atomic":0.07387843189408981,"volume":324.85800503191206,"volume_molar":8.15141930547901,"formula_full":"Eu5 Ta4 O15","formula_reduced":"Eu5Ta4O15","formula_anonymous":"A4B5C15","energy":-255.22803769,"energy_per_atom":-10.634501570416667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-244.92303769,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":34.9935896,"is_theoretical":false,"updated_at":"2021-11-28T01:37:41.382000Z","spacegroup":164},{"id":"mp-1221524","created_at":"2022-09-04T14:40:25.234645Z","structure_string":"Mo2 W2 C3\n1.0\n0.000000 2.948983 0.000000\n-0.399118 0.000000 5.159142\n5.456447 1.474491 -2.195476\nMo W C\n2 2 3\ndirect\n0.123145 0.710206 0.753709 Mo\n0.876855 0.289794 0.246291 Mo\n0.376529 0.790153 0.246943 W\n0.623471 0.209847 0.753057 W\n0.000000 0.500000 0.000000 C\n0.745577 0.756956 0.508846 C\n0.254423 0.243044 0.491154 C\n","nsites":7,"nelements":3,"elements":["Mo","W","C"],"chemical_system":"C-Mo-W","density":12.296220767238443,"density_atomic":0.08703053752955177,"volume":80.43153815547912,"volume_molar":6.919572061651514,"formula_full":"Mo2 W2 C3","formula_reduced":"Mo2W2C3","formula_anonymous":"A2B2C3","energy":-74.45341659,"energy_per_atom":-10.636202370000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.45341659,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003797,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.764000Z","spacegroup":12},{"id":"mp-1215225","created_at":"2022-09-04T14:47:01.768662Z","structure_string":"Zr1 Ta1 C1 N1\n1.0\n5.379747 -1.607278 0.000000\n5.379747 1.607278 0.000000\n4.899549 0.000000 2.742160\nZr Ta C N\n1 1 1 1\ndirect\n0.253273 0.253273 0.253273 Zr\n0.746420 0.746420 0.746420 Ta\n0.005417 0.005417 0.005417 C\n0.494890 0.494890 0.494890 N\n","nsites":4,"nelements":4,"elements":["Zr","Ta","C","N"],"chemical_system":"C-N-Ta-Zr","density":10.441562308478373,"density_atomic":0.08434985724194712,"volume":47.42153846836392,"volume_molar":7.139479492806059,"formula_full":"Zr1 Ta1 C1 N1","formula_reduced":"ZrTaCN","formula_anonymous":"ABCD","energy":-42.54721039,"energy_per_atom":-10.6368025975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.18621039,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004764,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.489000Z","spacegroup":160}]}