{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=56","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=54","results":[{"id":"mp-11660","created_at":"2022-09-04T14:42:17.408359Z","structure_string":"Hf6 N8\n1.0\n-3.357551 3.357551 3.357551\n3.357551 -3.357551 3.357551\n3.357551 3.357551 -3.357551\nHf N\n6 8\ndirect\n0.875000 0.250000 0.125000 Hf\n0.125000 0.875000 0.250000 Hf\n0.375000 0.625000 0.750000 Hf\n0.250000 0.125000 0.875000 Hf\n0.750000 0.375000 0.625000 Hf\n0.625000 0.750000 0.375000 Hf\n0.500000 0.000000 0.633666 N\n0.133666 0.500000 0.000000 N\n0.366334 0.366334 0.366334 N\n0.000000 0.133666 0.500000 N\n0.866334 0.866334 0.866334 N\n0.000000 0.633666 0.500000 N\n0.500000 0.000000 0.133666 N\n0.633666 0.500000 0.000000 N\n","nsites":14,"nelements":2,"elements":["Hf","N"],"chemical_system":"Hf-N","density":12.97488886785176,"density_atomic":0.0924698578152813,"volume":151.40068699971982,"volume_molar":6.512544630521535,"formula_full":"Hf6 N8","formula_reduced":"Hf3N4","formula_anonymous":"A3B4","energy":-151.65002261,"energy_per_atom":-10.832144472142858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.76202261,"band_gap":1.0259,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":9.23e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:40.685000Z","spacegroup":220},{"id":"mp-779982","created_at":"2022-09-04T14:39:32.003460Z","structure_string":"Hf16 N16 O8\n1.0\n8.712628 0.000000 0.000000\n-2.899231 8.232171 0.000000\n-2.918417 -4.106695 7.147455\nHf N O\n16 16 8\ndirect\n0.998367 0.009542 0.500404 Hf\n0.258046 0.716296 0.464914 Hf\n0.776209 0.534218 0.253742 Hf\n0.286154 0.035507 0.248478 Hf\n0.739229 0.786754 0.035344 Hf\n0.485872 0.487581 0.486759 Hf\n0.965893 0.741789 0.714798 Hf\n0.498837 0.998848 0.001491 Hf\n0.011859 0.501586 0.995161 Hf\n0.537893 0.254762 0.784892 Hf\n0.032963 0.252647 0.285176 Hf\n0.460646 0.741381 0.213621 Hf\n0.259964 0.215118 0.967266 Hf\n0.215462 0.461002 0.747188 Hf\n0.718061 0.971417 0.752226 Hf\n0.753601 0.291430 0.542742 Hf\n0.732134 0.760342 0.272104 N\n0.539584 0.273717 0.044599 N\n0.268435 0.231119 0.723367 N\n0.517283 0.745981 0.474406 N\n0.223465 0.773288 0.238076 N\n0.228151 0.954158 0.963628 N\n0.729783 0.493845 0.457208 N\n0.009754 0.543478 0.773186 N\n0.256453 0.270870 0.226018 N\n0.487786 0.258999 0.531735 N\n0.774249 0.226935 0.767869 N\n0.773170 0.044804 0.032401 N\n0.466798 0.728454 0.954753 N\n0.239351 0.464630 0.014908 N\n0.268599 0.512803 0.542325 N\n0.945651 0.218264 0.482133 N\n0.959700 0.001995 0.730030 O\n0.053891 0.776588 0.518991 O\n0.449973 0.964105 0.726529 O\n0.037256 0.993081 0.266862 O\n0.985419 0.460419 0.231038 O\n0.751320 0.730944 0.782180 O\n0.759027 0.535854 0.982106 O\n0.543710 0.035452 0.269344 O\n","nsites":40,"nelements":3,"elements":["Hf","N","O"],"chemical_system":"Hf-N-O","density":10.3910796753642,"density_atomic":0.07802701753627926,"volume":512.6429442391758,"volume_molar":7.718019924572868,"formula_full":"Hf16 N16 O8","formula_reduced":"Hf2N2O","formula_anonymous":"AB2C2","energy":-433.21750173,"energy_per_atom":-10.83043754325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-421.94550172999993,"band_gap":1.9263000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005251,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.909000Z","spacegroup":1},{"id":"mp-1224383","created_at":"2022-09-04T14:46:25.317775Z","structure_string":"Hf3 N2\n1.0\n8.018272 -1.594030 0.000000\n8.018272 1.594030 0.000000\n7.701380 0.000000 2.742695\nHf N\n3 2\ndirect\n0.000926 0.000926 0.000926 Hf\n0.223085 0.223085 0.223085 Hf\n0.777106 0.777106 0.777106 Hf\n0.612484 0.612484 0.612484 N\n0.497499 0.497499 0.497499 N\n","nsites":5,"nelements":2,"elements":["Hf","N"],"chemical_system":"Hf-N","density":13.345825383411414,"density_atomic":0.07131571138125702,"volume":70.11077787992289,"volume_molar":8.444339463719801,"formula_full":"Hf3 N2","formula_reduced":"Hf3N2","formula_anonymous":"A2B3","energy":-54.14535148,"energy_per_atom":-10.829070296000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.42335148,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0220101,"is_theoretical":true,"updated_at":"2021-11-28T01:37:35.937000Z","spacegroup":160},{"id":"mp-780061","created_at":"2022-09-04T14:43:17.567594Z","structure_string":"Hf16 N16 O8\n1.0\n8.692464 0.000000 0.000000\n-2.876176 8.247718 0.000000\n-2.903172 -4.120756 7.144843\nHf N O\n16 16 8\ndirect\n0.999694 0.500342 0.997380 Hf\n0.537926 0.751080 0.285592 Hf\n0.247482 0.713559 0.463158 Hf\n0.251815 0.216035 0.965834 Hf\n0.956510 0.243261 0.215397 Hf\n0.226333 0.965093 0.257658 Hf\n0.499164 0.000721 0.000336 Hf\n0.499756 0.489654 0.497057 Hf\n0.780974 0.037067 0.749144 Hf\n0.711486 0.472857 0.261603 Hf\n0.998955 0.999230 0.510019 Hf\n0.287364 0.528033 0.736536 Hf\n0.044324 0.763047 0.785605 Hf\n0.747206 0.283661 0.534051 Hf\n0.745288 0.779997 0.029830 Hf\n0.461120 0.247614 0.708345 Hf\n0.270684 0.732673 0.222093 N\n0.223007 0.449696 0.459543 N\n0.262540 0.772146 0.728240 N\n0.776037 0.726022 0.256507 N\n0.274385 0.013029 0.047798 N\n0.453786 0.465305 0.227539 N\n0.987356 0.958875 0.731165 N\n0.237190 0.964408 0.510799 N\n0.225133 0.275343 0.740672 N\n0.546871 0.538897 0.773739 N\n0.467607 0.226888 0.455810 N\n0.727727 0.985585 0.952924 N\n0.741020 0.229404 0.271573 N\n0.776489 0.549109 0.538231 N\n0.756174 0.031167 0.486347 N\n0.731881 0.268854 0.782725 N\n0.954864 0.724834 0.990676 O\n0.964288 0.506875 0.231135 O\n0.491854 0.766117 0.037846 O\n0.045593 0.277808 0.011555 O\n0.013365 0.043159 0.266081 O\n0.531132 0.775115 0.545150 O\n0.038417 0.494085 0.771143 O\n0.507201 0.233354 0.963161 O\n","nsites":40,"nelements":3,"elements":["Hf","N","O"],"chemical_system":"Hf-N-O","density":10.399351673679849,"density_atomic":0.07808913229026054,"volume":512.2351705909389,"volume_molar":7.711880748803116,"formula_full":"Hf16 N16 O8","formula_reduced":"Hf2N2O","formula_anonymous":"AB2C2","energy":-433.1530576199999,"energy_per_atom":-10.828826440499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-421.88105762,"band_gap":1.9270000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002774,"is_theoretical":true,"updated_at":"2021-11-28T01:36:08.792000Z","spacegroup":1},{"id":"mp-754434","created_at":"2022-09-04T14:43:04.572791Z","structure_string":"Hf3 N4\n1.0\n8.468969 -1.704595 0.000000\n8.468969 1.704595 0.000000\n8.125876 0.000000 2.932442\nHf N\n3 4\ndirect\n0.221991 0.221991 0.221991 Hf\n0.778009 0.778009 0.778009 Hf\n0.000000 0.000000 0.000000 Hf\n0.621885 0.621885 0.621885 N\n0.867737 0.867737 0.867737 N\n0.132263 0.132263 0.132263 N\n0.378115 0.378115 0.378115 N\n","nsites":7,"nelements":2,"elements":["Hf","N"],"chemical_system":"Hf-N","density":11.600863500577582,"density_atomic":0.08267740936809322,"volume":84.66641678181843,"volume_molar":7.283901135784811,"formula_full":"Hf3 N4","formula_reduced":"Hf3N4","formula_anonymous":"A3B4","energy":-75.79475912000001,"energy_per_atom":-10.827822731428572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.35075912,"band_gap":1.0917000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.33e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.698000Z","spacegroup":166},{"id":"mp-1430706","created_at":"2022-09-04T14:40:57.667362Z","structure_string":"W2 N2\n1.0\n2.867450 0.000000 0.000000\n0.000000 3.459591 0.000000\n0.000000 0.000000 4.163580\nW N\n2 2\ndirect\n0.615590 0.825471 0.500000 W\n0.115590 0.174529 0.000000 W\n0.647728 0.666292 0.000000 N\n0.147728 0.333708 0.500000 N\n","nsites":4,"nelements":2,"elements":["W","N"],"chemical_system":"N-W","density":15.908175656981456,"density_atomic":0.09684394339077142,"volume":41.303563856954355,"volume_molar":6.218396885905691,"formula_full":"W2 N2","formula_reduced":"WN","formula_anonymous":"AB","energy":-43.31024627,"energy_per_atom":-10.8275615675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.58824627,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002403,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.437000Z","spacegroup":31},{"id":"mp-1193201","created_at":"2022-09-04T14:40:55.697505Z","structure_string":"Gd12 Se12 N4\n1.0\n4.016449 0.000000 0.000000\n0.000000 12.693764 0.000000\n0.000000 0.000000 13.293679\nGd Se N\n12 12 4\ndirect\n0.250000 0.065379 0.366823 Gd\n0.250000 0.565379 0.133177 Gd\n0.750000 0.934621 0.633177 Gd\n0.750000 0.434621 0.866823 Gd\n0.250000 0.705730 0.359085 Gd\n0.250000 0.205730 0.140915 Gd\n0.750000 0.294270 0.640915 Gd\n0.750000 0.794270 0.859085 Gd\n0.250000 0.541346 0.650837 Gd\n0.250000 0.041346 0.849163 Gd\n0.750000 0.458654 0.349163 Gd\n0.750000 0.958654 0.150837 Gd\n0.250000 0.869628 0.995246 Se\n0.250000 0.369628 0.504754 Se\n0.750000 0.130372 0.004754 Se\n0.750000 0.630372 0.495246 Se\n0.250000 0.095171 0.603799 Se\n0.250000 0.595171 0.896201 Se\n0.750000 0.904829 0.396201 Se\n0.750000 0.404829 0.103799 Se\n0.250000 0.775298 0.688848 Se\n0.250000 0.275298 0.811152 Se\n0.750000 0.224702 0.311152 Se\n0.750000 0.724702 0.188848 Se\n0.250000 0.038658 0.203303 N\n0.250000 0.538658 0.296697 N\n0.750000 0.961342 0.796697 N\n0.750000 0.461342 0.703303 N\n","nsites":28,"nelements":3,"elements":["Gd","Se","N"],"chemical_system":"Gd-N-Se","density":7.081923620785511,"density_atomic":0.04131237541281019,"volume":677.763012177647,"volume_molar":14.57708664734066,"formula_full":"Gd12 Se12 N4","formula_reduced":"Gd3Se3N","formula_anonymous":"AB3C3","energy":-303.13455781,"energy_per_atom":-10.826234207499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-296.02655781,"band_gap":1.1217,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":28.0000001,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.052000Z","spacegroup":62},{"id":"mp-761032","created_at":"2022-09-04T14:45:18.585010Z","structure_string":"Hf5 N5 O2\n1.0\n1.533740 5.209571 0.000000\n-1.533740 5.209571 0.000000\n0.000000 2.432064 8.786681\nHf N O\n5 5 2\ndirect\n0.885954 0.885954 0.423353 Hf\n0.297723 0.297723 0.806931 Hf\n0.702277 0.702277 0.193069 Hf\n0.114046 0.114046 0.576647 Hf\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 N\n0.344718 0.344718 0.051894 N\n0.261462 0.261462 0.352093 N\n0.738538 0.738538 0.647907 N\n0.655282 0.655282 0.948106 N\n0.955009 0.955009 0.787117 O\n0.044991 0.044991 0.212883 O\n","nsites":12,"nelements":3,"elements":["Hf","N","O"],"chemical_system":"Hf-N-O","density":11.760819768563202,"density_atomic":0.08546192782767952,"volume":140.41340167514247,"volume_molar":7.046577245651064,"formula_full":"Hf5 N5 O2","formula_reduced":"Hf5N5O2","formula_anonymous":"A2B5C5","energy":-129.89940435,"energy_per_atom":-10.8249503625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.72040435,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0069661,"is_theoretical":true,"updated_at":"2021-11-28T01:37:02.326000Z","spacegroup":12},{"id":"mp-1226573","created_at":"2022-09-04T14:45:03.548295Z","structure_string":"Ce1 U4 N5\n1.0\n14.158088 -1.732047 0.000000\n14.158088 1.732047 0.000000\n13.946196 0.000000 2.992501\nCe U N\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Ce\n0.598302 0.598302 0.598302 U\n0.199638 0.199638 0.199638 U\n0.800362 0.800362 0.800362 U\n0.401698 0.401698 0.401698 U\n0.704387 0.704387 0.704387 N\n0.500000 0.500000 0.500000 N\n0.100769 0.100769 0.100769 N\n0.295613 0.295613 0.295613 N\n0.899231 0.899231 0.899231 N\n","nsites":10,"nelements":3,"elements":["Ce","U","N"],"chemical_system":"Ce-N-U","density":13.149999300130919,"density_atomic":0.06813518196601565,"volume":146.76705501407164,"volume_molar":8.838518642254034,"formula_full":"Ce1 U4 N5","formula_reduced":"CeU4N5","formula_anonymous":"AB4C5","energy":-108.21821475,"energy_per_atom":-10.821821475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.41321475,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0760675,"is_theoretical":true,"updated_at":"2021-11-28T01:36:51.629000Z","spacegroup":166},{"id":"mp-640163","created_at":"2022-09-04T14:41:06.841855Z","structure_string":"Co8 W16 C4\n1.0\n0.000000 5.665932 5.665932\n5.665932 0.000000 5.665932\n5.665932 5.665932 0.000000\nCo W C\n8 16 4\ndirect\n0.918533 0.244402 0.918533 Co\n0.244402 0.918533 0.918533 Co\n0.918533 0.918533 0.244402 Co\n0.005598 0.331467 0.331467 Co\n0.331467 0.005598 0.331467 Co\n0.918533 0.918533 0.918533 Co\n0.331467 0.331467 0.331467 Co\n0.331467 0.331467 0.005598 Co\n0.625000 0.125000 0.125000 W\n0.561690 0.938310 0.561690 W\n0.688310 0.311690 0.688310 W\n0.688310 0.688310 0.311690 W\n0.311690 0.311690 0.688310 W\n0.688310 0.311690 0.311690 W\n0.311690 0.688310 0.688310 W\n0.938310 0.561690 0.561690 W\n0.125000 0.125000 0.625000 W\n0.938310 0.938310 0.561690 W\n0.311690 0.688310 0.311690 W\n0.561690 0.561690 0.938310 W\n0.938310 0.561690 0.938310 W\n0.125000 0.625000 0.125000 W\n0.125000 0.125000 0.125000 W\n0.561690 0.938310 0.938310 W\n0.625000 0.625000 0.625000 C\n0.125000 0.625000 0.625000 C\n0.625000 0.125000 0.625000 C\n0.625000 0.625000 0.125000 C\n","nsites":28,"nelements":3,"elements":["Co","W","C"],"chemical_system":"C-Co-W","density":15.797928616477723,"density_atomic":0.07696866637376448,"volume":363.7843984983488,"volume_molar":7.824145907317819,"formula_full":"Co8 W16 C4","formula_reduced":"Co2W4C","formula_anonymous":"AB2C4","energy":-302.97800386,"energy_per_atom":-10.820642995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-302.97800386,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029018,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.046000Z","spacegroup":227},{"id":"mp-1194431","created_at":"2022-09-04T14:40:32.817198Z","structure_string":"Hf18 Fe2 W8\n1.0\n0.000000 0.000000 -8.439685\n-4.357229 -7.544746 0.000000\n-4.357229 7.544746 0.000000\nHf Fe W\n18 2 8\ndirect\n0.559062 0.798833 0.597641 Hf\n0.559018 0.798814 0.201186 Hf\n0.559062 0.402359 0.201167 Hf\n0.440938 0.201167 0.402359 Hf\n0.440982 0.201186 0.798814 Hf\n0.440938 0.597641 0.798833 Hf\n0.059062 0.201167 0.402359 Hf\n0.059018 0.201186 0.798814 Hf\n0.059062 0.597641 0.798833 Hf\n0.940938 0.798833 0.597641 Hf\n0.940982 0.798814 0.201186 Hf\n0.940938 0.402359 0.201167 Hf\n0.750000 0.459962 0.919933 Hf\n0.750000 0.459962 0.540038 Hf\n0.750000 0.080067 0.540038 Hf\n0.250000 0.540038 0.080067 Hf\n0.250000 0.540038 0.459962 Hf\n0.250000 0.919933 0.459962 Hf\n0.750000 0.666695 0.333305 Fe\n0.250000 0.333305 0.666695 Fe\n0.750000 0.112247 0.224473 W\n0.750000 0.112244 0.887756 W\n0.750000 0.775527 0.887753 W\n0.250000 0.887753 0.775527 W\n0.250000 0.887756 0.112244 W\n0.250000 0.224473 0.112247 W\n0.500000 0.000000 0.000000 W\n0.000000 0.000000 0.000000 W\n","nsites":28,"nelements":3,"elements":["Hf","Fe","W"],"chemical_system":"Fe-Hf-W","density":14.349847907106062,"density_atomic":0.050459946912021755,"volume":554.8955501046946,"volume_molar":11.934496820814658,"formula_full":"Hf18 Fe2 W8","formula_reduced":"Hf9FeW4","formula_anonymous":"AB4C9","energy":-302.94803647,"energy_per_atom":-10.819572731071428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-302.94803647,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0186857,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.629000Z","spacegroup":194},{"id":"mp-1078133","created_at":"2022-09-04T14:48:29.949021Z","structure_string":"U2 Re2 C3\n1.0\n1.521103 5.780893 0.000000\n-1.521103 5.780893 0.000000\n0.000000 1.464350 5.397462\nU Re C\n2 2 3\ndirect\n0.397577 0.397577 0.826622 U\n0.602423 0.602423 0.173378 U\n0.154800 0.154800 0.629604 Re\n0.845200 0.845200 0.370396 Re\n0.000000 0.000000 0.500000 C\n0.746419 0.746419 0.759899 C\n0.253581 0.253581 0.240101 C\n","nsites":7,"nelements":3,"elements":["U","Re","C"],"chemical_system":"C-Re-U","density":15.473042431296363,"density_atomic":0.073743695423356,"volume":94.92336883598824,"volume_molar":8.166312693481693,"formula_full":"U2 Re2 C3","formula_reduced":"U2Re2C3","formula_anonymous":"A2B2C3","energy":-75.73198042,"energy_per_atom":-10.818854345714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.73198042,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0070132,"is_theoretical":false,"updated_at":"2021-11-28T01:39:56.098000Z","spacegroup":12}]}