{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=63","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=61","results":[{"id":"mp-1225199","created_at":"2022-09-04T14:41:25.550472Z","structure_string":"Eu1 Ta1 N1 O2\n1.0\n4.034640 0.000000 0.000000\n0.000000 4.034640 0.000000\n0.000000 0.000000 4.109397\nEu Ta N O\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Ta\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":4,"elements":["Eu","Ta","N","O"],"chemical_system":"Eu-N-O-Ta","density":9.406020998003008,"density_atomic":0.07474503077829905,"volume":66.89407908373843,"volume_molar":8.056911205056894,"formula_full":"Eu1 Ta1 N1 O2","formula_reduced":"EuTaNO2","formula_anonymous":"ABCD2","energy":-53.74960086,"energy_per_atom":-10.749920172,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.01460086,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9477813,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.771000Z","spacegroup":123},{"id":"mp-2840","created_at":"2022-09-04T14:44:19.799183Z","structure_string":"Pu2 Ir4\n1.0\n0.000000 3.734003 3.734003\n3.734003 0.000000 3.734003\n3.734003 3.734003 0.000000\nPu Ir\n2 4\ndirect\n0.250000 0.250000 0.250000 Pu\n0.000000 0.000000 0.000000 Pu\n0.625000 0.125000 0.625000 Ir\n0.625000 0.625000 0.125000 Ir\n0.125000 0.625000 0.625000 Ir\n0.625000 0.625000 0.625000 Ir\n","nsites":6,"nelements":2,"elements":["Pu","Ir"],"chemical_system":"Ir-Pu","density":20.044017967687243,"density_atomic":0.05762318603342394,"volume":104.12475277780963,"volume_molar":10.450898630469512,"formula_full":"Pu2 Ir4","formula_reduced":"PuIr2","formula_anonymous":"AB2","energy":-64.48678846,"energy_per_atom":-10.747798076666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.48678846,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8046966,"is_theoretical":false,"updated_at":"2021-11-28T01:36:32.406000Z","spacegroup":227},{"id":"mp-754668","created_at":"2022-09-04T14:48:13.809216Z","structure_string":"Hf6 N4 O6\n1.0\n2.001967 5.303767 0.000000\n-2.001967 5.303767 0.000000\n0.000000 0.103457 10.648650\nHf N O\n6 4 6\ndirect\n0.815545 0.815545 0.248742 Hf\n0.854945 0.854945 0.941811 Hf\n0.863401 0.863401 0.555466 Hf\n0.192075 0.192075 0.749612 Hf\n0.142642 0.142642 0.055015 Hf\n0.136831 0.136831 0.440310 Hf\n0.699971 0.699971 0.078996 N\n0.953287 0.953287 0.384841 N\n0.295525 0.295525 0.574769 N\n0.298529 0.298529 0.920005 N\n0.689404 0.689404 0.419079 O\n0.752380 0.752380 0.751882 O\n0.954267 0.954267 0.112886 O\n0.245131 0.245131 0.257373 O\n0.043634 0.043634 0.884709 O\n0.042443 0.042443 0.620159 O\n","nsites":16,"nelements":3,"elements":["Hf","N","O"],"chemical_system":"Hf-N-O","density":8.980418723625332,"density_atomic":0.07075450271092461,"volume":226.13401814679952,"volume_molar":8.511318049402632,"formula_full":"Hf6 N4 O6","formula_reduced":"Hf3N2O3","formula_anonymous":"A2B3C3","energy":-171.96343954,"energy_per_atom":-10.74771497125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-166.39743954,"band_gap":3.1036,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007058,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.504000Z","spacegroup":8},{"id":"mp-776205","created_at":"2022-09-04T14:46:25.756519Z","structure_string":"Hf4 N4 O2\n1.0\n3.437084 0.000000 0.000000\n0.000000 4.273118 0.000000\n0.000000 1.528903 8.543279\nHf N O\n4 4 2\ndirect\n0.250000 0.788187 0.893803 Hf\n0.250000 0.625288 0.329290 Hf\n0.750000 0.374712 0.670710 Hf\n0.750000 0.211813 0.106197 Hf\n0.750000 0.828356 0.751100 N\n0.750000 0.716028 0.097189 N\n0.250000 0.283972 0.902811 N\n0.250000 0.171644 0.248900 N\n0.250000 0.312260 0.560924 O\n0.750000 0.687740 0.439076 O\n","nsites":10,"nelements":3,"elements":["Hf","N","O"],"chemical_system":"Hf-N-O","density":10.613437003533209,"density_atomic":0.07969670727848166,"volume":125.47569832536894,"volume_molar":7.55632317274668,"formula_full":"Hf4 N4 O2","formula_reduced":"Hf2N2O","formula_anonymous":"AB2C2","energy":-107.46440824,"energy_per_atom":-10.746440824,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-104.64640824,"band_gap":1.3828999999999994,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016145,"is_theoretical":true,"updated_at":"2021-11-28T01:37:38.965000Z","spacegroup":11},{"id":"mp-761019","created_at":"2022-09-04T14:39:05.242124Z","structure_string":"Hf8 N8 O4\n1.0\n6.782141 0.000000 0.000000\n0.000000 5.831327 0.000000\n0.000000 0.027504 5.918799\nHf N O\n8 8 4\ndirect\n0.118612 0.745706 0.422222 Hf\n0.132790 0.230214 0.092634 Hf\n0.367210 0.230214 0.592634 Hf\n0.381388 0.745706 0.922222 Hf\n0.632790 0.769786 0.407366 Hf\n0.618612 0.254294 0.077778 Hf\n0.881388 0.254294 0.577778 Hf\n0.867210 0.769786 0.907366 Hf\n0.126552 0.996314 0.741261 N\n0.132659 0.368234 0.412613 N\n0.373448 0.996314 0.241261 N\n0.367341 0.368234 0.912613 N\n0.626552 0.003686 0.758739 N\n0.632659 0.631766 0.087387 N\n0.867341 0.631766 0.587387 N\n0.873448 0.003686 0.258739 N\n0.117095 0.653193 0.080592 O\n0.382905 0.653193 0.580592 O\n0.617095 0.346807 0.419408 O\n0.882905 0.346807 0.919408 O\n","nsites":20,"nelements":3,"elements":["Hf","N","O"],"chemical_system":"Hf-N-O","density":11.37831261077564,"density_atomic":0.08544018767550647,"volume":234.08188282495416,"volume_molar":7.048370238688502,"formula_full":"Hf8 N8 O4","formula_reduced":"Hf2N2O","formula_anonymous":"AB2C2","energy":-214.90438433000003,"energy_per_atom":-10.7452192165,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-209.26838433,"band_gap":2.1159,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016894,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.112000Z","spacegroup":14},{"id":"mp-754361","created_at":"2022-09-04T14:40:43.679098Z","structure_string":"Hf8 N8 O4\n1.0\n5.489714 0.000000 0.000000\n0.000000 5.815153 0.000000\n0.000000 0.649664 7.904385\nHf N O\n8 8 4\ndirect\n0.999735 0.279184 0.143050 Hf\n0.000265 0.279184 0.643050 Hf\n0.487974 0.210586 0.354430 Hf\n0.512026 0.210586 0.854430 Hf\n0.487974 0.789414 0.145570 Hf\n0.512026 0.789414 0.645570 Hf\n0.999735 0.720816 0.356950 Hf\n0.000265 0.720816 0.856950 Hf\n0.651509 0.152322 0.100164 N\n0.348491 0.152322 0.600164 N\n0.284061 0.500000 0.250000 N\n0.715939 0.500000 0.750000 N\n0.651509 0.847678 0.399836 N\n0.348491 0.847678 0.899836 N\n0.192221 0.000000 0.250000 N\n0.807779 0.000000 0.750000 N\n0.846613 0.350707 0.398537 O\n0.153387 0.350707 0.898537 O\n0.846613 0.649293 0.101463 O\n0.153387 0.649293 0.601463 O\n","nsites":20,"nelements":3,"elements":["Hf","N","O"],"chemical_system":"Hf-N-O","density":10.555205986126838,"density_atomic":0.0792594483257768,"volume":252.33584667148872,"volume_molar":7.598009937247413,"formula_full":"Hf8 N8 O4","formula_reduced":"Hf2N2O","formula_anonymous":"AB2C2","energy":-214.87792695,"energy_per_atom":-10.7438963475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-209.24192695,"band_gap":1.9174000000000009,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025529,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.937000Z","spacegroup":13},{"id":"mp-20036","created_at":"2022-09-04T14:43:38.031111Z","structure_string":"Gd6 S8\n1.0\n-4.209373 4.209373 4.209373\n4.209373 -4.209373 4.209373\n4.209373 4.209373 -4.209373\nGd S\n6 8\ndirect\n0.875000 0.250000 0.125000 Gd\n0.125000 0.875000 0.250000 Gd\n0.375000 0.625000 0.750000 Gd\n0.250000 0.125000 0.875000 Gd\n0.750000 0.375000 0.625000 Gd\n0.625000 0.750000 0.375000 Gd\n0.500000 0.000000 0.644497 S\n0.144497 0.500000 0.000000 S\n0.355503 0.355503 0.355503 S\n0.000000 0.144497 0.500000 S\n0.855503 0.855503 0.855503 S\n0.000000 0.644497 0.500000 S\n0.500000 0.000000 0.144497 S\n0.644497 0.500000 0.000000 S\n","nsites":14,"nelements":2,"elements":["Gd","S"],"chemical_system":"Gd-S","density":6.679213982215113,"density_atomic":0.046926245807022995,"volume":298.3405077314912,"volume_molar":12.833203799777916,"formula_full":"Gd6 S8","formula_reduced":"Gd3S4","formula_anonymous":"A3B4","energy":-150.41000149,"energy_per_atom":-10.743571535000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-146.38600149,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":40.6237287,"is_theoretical":false,"updated_at":"2021-11-28T01:36:18.615000Z","spacegroup":220},{"id":"mp-1212438","created_at":"2022-09-04T14:40:30.402471Z","structure_string":"Hf18 B2 W8\n1.0\n4.292727 -7.435221 0.000000\n4.292727 7.435221 0.000000\n0.000000 0.000000 8.545728\nHf B W\n18 2 8\ndirect\n0.538842 0.077684 0.250000 Hf\n0.461158 0.922316 0.750000 Hf\n0.922316 0.461158 0.250000 Hf\n0.077684 0.538842 0.750000 Hf\n0.538842 0.461158 0.250000 Hf\n0.461158 0.538842 0.750000 Hf\n0.202994 0.405987 0.055413 Hf\n0.797006 0.594013 0.944587 Hf\n0.594013 0.797006 0.055413 Hf\n0.797006 0.594013 0.555413 Hf\n0.405987 0.202994 0.944587 Hf\n0.202994 0.405987 0.444587 Hf\n0.202994 0.797006 0.055413 Hf\n0.405987 0.202994 0.555413 Hf\n0.797006 0.202994 0.944587 Hf\n0.594013 0.797006 0.444587 Hf\n0.797006 0.202994 0.555413 Hf\n0.202994 0.797006 0.444587 Hf\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.000000 0.000000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.888541 0.777082 0.250000 W\n0.111459 0.222918 0.750000 W\n0.222918 0.111459 0.250000 W\n0.777082 0.888541 0.750000 W\n0.888541 0.111459 0.250000 W\n0.111459 0.888541 0.750000 W\n","nsites":28,"nelements":3,"elements":["Hf","B","W"],"chemical_system":"B-Hf-W","density":14.322454963775446,"density_atomic":0.05132770169893938,"volume":545.5143922911823,"volume_molar":11.732730203511995,"formula_full":"Hf18 B2 W8","formula_reduced":"Hf9BW4","formula_anonymous":"AB4C9","energy":-300.81075152,"energy_per_atom":-10.743241125714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-300.81075152,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1033363,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.918000Z","spacegroup":194},{"id":"mp-1186060","created_at":"2022-09-04T14:44:10.908924Z","structure_string":"Mn2 Os6\n1.0\n2.709367 -4.692761 0.000000\n2.709367 4.692761 0.000000\n0.000000 0.000000 4.265543\nMn Os\n2 6\ndirect\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.750000 Mn\n0.829415 0.170585 0.750000 Os\n0.341171 0.170585 0.750000 Os\n0.658829 0.829415 0.250000 Os\n0.170585 0.829415 0.250000 Os\n0.829415 0.658829 0.750000 Os\n0.170585 0.341171 0.250000 Os\n","nsites":8,"nelements":2,"elements":["Mn","Os"],"chemical_system":"Mn-Os","density":19.155553636029815,"density_atomic":0.07375464785742873,"volume":108.46774043941453,"volume_molar":8.165100010566231,"formula_full":"Mn2 Os6","formula_reduced":"MnOs3","formula_anonymous":"AB3","energy":-85.94216152,"energy_per_atom":-10.74277019,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.94216152,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004617,"is_theoretical":true,"updated_at":"2021-11-28T01:36:31.208000Z","spacegroup":194},{"id":"mp-21394","created_at":"2022-09-04T14:48:30.144860Z","structure_string":"Eu1 O1\n1.0\n0.000000 2.541567 2.541567\n2.541567 0.000000 2.541567\n2.541567 2.541567 0.000000\nEu O\n1 1\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 O\n","nsites":2,"nelements":2,"elements":["Eu","O"],"chemical_system":"Eu-O","density":8.494328850026642,"density_atomic":0.0609109413292028,"volume":32.834823372547866,"volume_molar":9.88679640896106,"formula_full":"Eu1 O1","formula_reduced":"EuO","formula_anonymous":"AB","energy":-21.48291801,"energy_per_atom":-10.741459005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.79591801,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9997026,"is_theoretical":false,"updated_at":"2021-11-28T01:39:54.103000Z","spacegroup":225},{"id":"mp-3523","created_at":"2022-09-04T14:42:07.827161Z","structure_string":"Sr4 Gd8 O16\n1.0\n3.486782 0.000000 0.000000\n0.000000 10.251976 0.000000\n0.000000 0.000000 12.150459\nSr Gd O\n4 8 16\ndirect\n0.750000 0.747348 0.148276 Sr\n0.250000 0.252652 0.851724 Sr\n0.750000 0.247348 0.351724 Sr\n0.250000 0.752652 0.648276 Sr\n0.250000 0.423734 0.111713 Gd\n0.750000 0.576266 0.888287 Gd\n0.250000 0.923734 0.388287 Gd\n0.750000 0.076266 0.611713 Gd\n0.750000 0.079288 0.112051 Gd\n0.250000 0.920712 0.887949 Gd\n0.750000 0.579288 0.387949 Gd\n0.250000 0.420712 0.612051 Gd\n0.250000 0.425682 0.421572 O\n0.750000 0.574318 0.578428 O\n0.250000 0.925682 0.078428 O\n0.750000 0.074318 0.921572 O\n0.250000 0.511897 0.784234 O\n0.750000 0.488103 0.215766 O\n0.250000 0.011897 0.715766 O\n0.750000 0.988103 0.284234 O\n0.250000 0.127998 0.479887 O\n0.750000 0.872002 0.520113 O\n0.250000 0.627998 0.020113 O\n0.750000 0.372002 0.979887 O\n0.750000 0.287252 0.678797 O\n0.250000 0.712748 0.321203 O\n0.750000 0.787252 0.821203 O\n0.250000 0.212748 0.178797 O\n","nsites":28,"nelements":3,"elements":["Sr","Gd","O"],"chemical_system":"Gd-O-Sr","density":7.128194313094925,"density_atomic":0.06446633354554014,"volume":434.3352329820388,"volume_molar":9.341528250161545,"formula_full":"Sr4 Gd8 O16","formula_reduced":"SrGd2O4","formula_anonymous":"AB2C4","energy":-300.7504857,"energy_per_atom":-10.741088775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-289.7584857,"band_gap":3.0774,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":56.016125,"is_theoretical":false,"updated_at":"2021-11-28T01:35:40.845000Z","spacegroup":62},{"id":"mp-760052","created_at":"2022-09-04T14:43:54.957404Z","structure_string":"Hf6 N6 O3\n1.0\n1.635790 6.817573 0.000000\n-1.635790 6.817573 0.000000\n0.000000 1.436976 8.066929\nHf N O\n6 6 3\ndirect\n0.030411 0.030411 0.199801 Hf\n0.638447 0.638447 0.526008 Hf\n0.695357 0.695357 0.866576 Hf\n0.305562 0.305562 0.131541 Hf\n0.364206 0.364206 0.479980 Hf\n0.964656 0.964656 0.813220 Hf\n0.535845 0.535845 0.351327 N\n0.169798 0.169798 0.035162 N\n0.121583 0.121583 0.709235 N\n0.795420 0.795420 0.620967 N\n0.874534 0.874534 0.272978 N\n0.827031 0.827031 0.963460 N\n0.214537 0.214537 0.380631 O\n0.465360 0.465360 0.661492 O\n0.497252 0.497252 0.987624 O\n","nsites":15,"nelements":3,"elements":["Hf","N","O"],"chemical_system":"Hf-N-O","density":11.102258905137075,"density_atomic":0.08336728976655457,"volume":179.92668397884904,"volume_molar":7.2236254493377725,"formula_full":"Hf6 N6 O3","formula_reduced":"Hf2N2O","formula_anonymous":"AB2C2","energy":-161.11307166,"energy_per_atom":-10.740871444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-156.88607166,"band_gap":1.7746000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002956,"is_theoretical":true,"updated_at":"2021-11-28T01:36:37.526000Z","spacegroup":8}]}