{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=64","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=62","results":[{"id":"mp-1219701","created_at":"2022-09-04T14:40:56.760649Z","structure_string":"Pu4 U4 C12\n1.0\n-4.036367 4.036367 4.036367\n4.036367 -4.036367 4.036367\n4.036367 4.036367 -4.036367\nPu U C\n4 4 12\ndirect\n0.900907 0.900907 0.900907 Pu\n0.599093 0.500000 0.000000 Pu\n0.000000 0.599093 0.500000 Pu\n0.500000 0.000000 0.599093 Pu\n0.098250 0.500000 0.000000 U\n0.401750 0.401750 0.401750 U\n0.000000 0.098250 0.500000 U\n0.500000 0.000000 0.098250 U\n0.750000 0.461630 0.711630 C\n0.250000 0.038370 0.788370 C\n0.250000 0.213457 0.963457 C\n0.750000 0.286543 0.536543 C\n0.038370 0.788370 0.250000 C\n0.461630 0.711630 0.750000 C\n0.286543 0.536543 0.750000 C\n0.213457 0.963457 0.250000 C\n0.711630 0.750000 0.461630 C\n0.788370 0.250000 0.038370 C\n0.963457 0.250000 0.213457 C\n0.536543 0.750000 0.286543 C\n","nsites":20,"nelements":3,"elements":["Pu","U","C"],"chemical_system":"C-Pu-U","density":13.081515639507726,"density_atomic":0.07603228870908581,"volume":263.04613920703946,"volume_molar":7.920504383396733,"formula_full":"Pu4 U4 C12","formula_reduced":"PuUC3","formula_anonymous":"ABC3","energy":-214.78992859,"energy_per_atom":-10.739496429499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-214.78992859,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.5400713,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.815000Z","spacegroup":199},{"id":"mp-1204550","created_at":"2022-09-04T14:44:21.218974Z","structure_string":"Ta12 N20\n1.0\n5.660622 0.000000 0.000000\n0.000000 6.066921 0.000000\n0.000000 0.000000 9.423533\nTa N\n12 20\ndirect\n0.502895 0.498534 0.320973 Ta\n0.997105 0.001466 0.820973 Ta\n0.497105 0.998534 0.679027 Ta\n0.002895 0.501466 0.179027 Ta\n0.497105 0.501466 0.679027 Ta\n0.002895 0.998534 0.179027 Ta\n0.502895 0.001466 0.320973 Ta\n0.997105 0.498534 0.820973 Ta\n0.074976 0.750000 0.499867 Ta\n0.425024 0.750000 0.999867 Ta\n0.925024 0.250000 0.500133 Ta\n0.574976 0.250000 0.000133 Ta\n0.850966 0.972747 0.611171 N\n0.649034 0.527253 0.111171 N\n0.149034 0.472747 0.388829 N\n0.350966 0.027253 0.888829 N\n0.149034 0.027253 0.388829 N\n0.350966 0.472747 0.888829 N\n0.850966 0.527253 0.611171 N\n0.649034 0.972747 0.111171 N\n0.209363 0.750000 0.707995 N\n0.290637 0.750000 0.207995 N\n0.790637 0.250000 0.292005 N\n0.709363 0.250000 0.792005 N\n0.454536 0.750000 0.500874 N\n0.045464 0.750000 0.000874 N\n0.545464 0.250000 0.499126 N\n0.954536 0.250000 0.999126 N\n0.800849 0.750000 0.317985 N\n0.699151 0.750000 0.817985 N\n0.199151 0.250000 0.682015 N\n0.300849 0.250000 0.182015 N\n","nsites":32,"nelements":2,"elements":["Ta","N"],"chemical_system":"N-Ta","density":12.578714527879947,"density_atomic":0.09887892309760854,"volume":323.6281201041311,"volume_molar":6.090419041128947,"formula_full":"Ta12 N20","formula_reduced":"Ta3N5","formula_anonymous":"A3B5","energy":-343.65006033000003,"energy_per_atom":-10.739064385312501,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-336.43006033,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009792,"is_theoretical":false,"updated_at":"2021-11-28T01:36:26.074000Z","spacegroup":62},{"id":"mp-1215247","created_at":"2022-09-04T14:44:07.197815Z","structure_string":"Zr1 Ta1 N2\n1.0\n5.282941 -1.597221 0.000000\n5.282941 1.597221 0.000000\n4.800044 0.000000 2.723997\nZr Ta N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ta\n0.255607 0.255607 0.255607 N\n0.744393 0.744393 0.744393 N\n","nsites":4,"nelements":3,"elements":["Zr","Ta","N"],"chemical_system":"N-Ta-Zr","density":10.84329059868264,"density_atomic":0.087012690708109,"volume":45.97030579617769,"volume_molar":6.920991307120649,"formula_full":"Zr1 Ta1 N2","formula_reduced":"ZrTaN2","formula_anonymous":"ABC2","energy":-42.95080549,"energy_per_atom":-10.7377013725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.22880549,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0164589,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.160000Z","spacegroup":166},{"id":"mp-753781","created_at":"2022-09-04T14:48:23.301796Z","structure_string":"Eu1 Hf1 O3\n1.0\n4.134079 0.000000 0.000000\n0.000000 4.134079 0.000000\n0.000000 0.000000 4.134079\nEu Hf O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Eu","Hf","O"],"chemical_system":"Eu-Hf-O","density":8.894546648344669,"density_atomic":0.07076747331793613,"volume":70.65392850097336,"volume_molar":8.50975805359675,"formula_full":"Eu1 Hf1 O3","formula_reduced":"EuHfO3","formula_anonymous":"ABC3","energy":-53.687514590000006,"energy_per_atom":-10.737502918,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.62651459,"band_gap":0.4795999999999996,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":6.9996458,"is_theoretical":true,"updated_at":"2021-11-28T01:39:12.518000Z","spacegroup":221},{"id":"mp-1191664","created_at":"2022-09-04T14:46:41.431876Z","structure_string":"Ta20 Ni4\n1.0\n0.000000 5.945426 5.945426\n5.945426 0.000000 5.945426\n5.945426 5.945426 0.000000\nTa Ni\n20 4\ndirect\n0.758853 0.413716 0.413716 Ta\n0.413716 0.758853 0.413716 Ta\n0.413716 0.413716 0.758853 Ta\n0.413716 0.413716 0.413716 Ta\n0.491147 0.836284 0.836284 Ta\n0.836284 0.491147 0.836284 Ta\n0.836284 0.836284 0.491147 Ta\n0.836284 0.836284 0.836284 Ta\n0.813216 0.813216 0.186784 Ta\n0.186784 0.186784 0.813216 Ta\n0.813216 0.186784 0.813216 Ta\n0.186784 0.813216 0.186784 Ta\n0.186784 0.813216 0.813216 Ta\n0.813216 0.186784 0.186784 Ta\n0.436784 0.436784 0.063216 Ta\n0.063216 0.063216 0.436784 Ta\n0.436784 0.063216 0.436784 Ta\n0.063216 0.436784 0.063216 Ta\n0.063216 0.436784 0.436784 Ta\n0.436784 0.063216 0.063216 Ta\n0.125000 0.625000 0.625000 Ni\n0.625000 0.125000 0.625000 Ni\n0.625000 0.625000 0.125000 Ni\n0.625000 0.625000 0.625000 Ni\n","nsites":24,"nelements":2,"elements":["Ta","Ni"],"chemical_system":"Ni-Ta","density":15.224799669932526,"density_atomic":0.05709950088069655,"volume":420.31891049530356,"volume_molar":10.546748512885664,"formula_full":"Ta20 Ni4","formula_reduced":"Ta5Ni","formula_anonymous":"AB5","energy":-257.68342885,"energy_per_atom":-10.736809535416667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-257.68342885,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1294388,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.678000Z","spacegroup":227},{"id":"mp-1220045","created_at":"2022-09-04T14:47:13.476938Z","structure_string":"Os3 W3 C2\n1.0\n1.424733 -2.467709 0.000000\n1.424733 2.467709 0.000000\n0.000000 0.000000 14.871864\nOs W C\n3 3 2\ndirect\n0.666667 0.333333 0.189622 Os\n0.000000 0.000000 0.000000 Os\n0.333333 0.666667 0.810378 Os\n0.666667 0.333333 0.662002 W\n0.000000 0.000000 0.500000 W\n0.333333 0.666667 0.337998 W\n0.333333 0.666667 0.099945 C\n0.666667 0.333333 0.900055 C\n","nsites":8,"nelements":3,"elements":["Os","W","C"],"chemical_system":"C-Os-W","density":18.20113912386496,"density_atomic":0.0765010079703883,"volume":104.57378552576208,"volume_molar":7.871975703027372,"formula_full":"Os3 W3 C2","formula_reduced":"Os3W3C2","formula_anonymous":"A2B3C3","energy":-85.88671477,"energy_per_atom":-10.73583934625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.88671477,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0113337,"is_theoretical":true,"updated_at":"2021-11-28T01:37:56.317000Z","spacegroup":164},{"id":"mp-685713","created_at":"2022-09-04T14:45:54.907488Z","structure_string":"Gd7 Ti8 O26\n1.0\n5.942005 -0.014187 4.095540\n-0.134761 7.377074 12.450629\n-0.101548 0.037745 12.430038\nGd Ti O\n7 8 26\ndirect\n0.994743 0.253988 0.987653 Gd\n0.984016 0.529902 0.980974 Gd\n0.483196 0.995764 0.981773 Gd\n0.007076 0.744628 0.027234 Gd\n0.489003 0.488945 0.028322 Gd\n0.998416 0.232083 0.513750 Gd\n0.981714 0.765143 0.485909 Gd\n0.020583 0.995809 0.488900 Ti\n0.497164 0.290709 0.961196 Ti\n0.974545 0.531515 0.491194 Ti\n0.513438 0.746696 0.996922 Ti\n0.551120 0.240479 0.487126 Ti\n0.506431 0.500008 0.502294 Ti\n0.486547 0.714244 0.537649 Ti\n0.492967 0.993811 0.500618 Ti\n0.198507 0.177455 0.183023 O\n0.113399 0.503053 0.133320 O\n0.571277 0.202077 0.175246 O\n0.388803 0.217730 0.428445 O\n0.199681 0.648332 0.217893 O\n0.599019 0.495657 0.166556 O\n0.165443 0.506654 0.580177 O\n0.125128 0.005064 0.127351 O\n0.543026 0.305409 0.570698 O\n0.578083 0.692192 0.182029 O\n0.853097 0.208493 0.408236 O\n0.435830 0.721707 0.397120 O\n0.171276 0.796102 0.573107 O\n0.437843 0.282938 0.835530 O\n0.831304 0.484269 0.441092 O\n0.386980 0.501461 0.854513 O\n0.174094 0.000489 0.577627 O\n0.814853 0.316838 0.816314 O\n0.814435 0.718287 0.411287 O\n0.571455 0.816457 0.551003 O\n0.420405 0.788946 0.834893 O\n0.866727 0.503309 0.873449 O\n0.810600 0.004025 0.432521 O\n0.459844 0.996169 0.804219 O\n0.833782 0.795373 0.825839 O\n0.852863 0.000200 0.876142 O\n","nsites":41,"nelements":3,"elements":["Gd","Ti","O"],"chemical_system":"Gd-O-Ti","density":5.786811483875344,"density_atomic":0.07521350683258102,"volume":545.1148567140018,"volume_molar":8.006727798777925,"formula_full":"Gd7 Ti8 O26","formula_reduced":"Gd7Ti8O26","formula_anonymous":"A7B8C26","energy":-440.13044474,"energy_per_atom":-10.73488889609756,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-422.26844474,"band_gap":0.3123000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":47.9999288,"is_theoretical":true,"updated_at":"2021-11-28T01:37:15.794000Z","spacegroup":1},{"id":"mp-1009545","created_at":"2022-09-04T14:47:05.234811Z","structure_string":"Pa1 N1\n1.0\n0.000000 2.477812 2.477812\n2.477812 0.000000 2.477812\n2.477812 2.477812 0.000000\nPa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Pa\n0.500000 0.500000 0.500000 N\n","nsites":2,"nelements":2,"elements":["Pa","N"],"chemical_system":"N-Pa","density":13.37382396798919,"density_atomic":0.06573473921350749,"volume":30.42531276352931,"volume_molar":9.161275806449906,"formula_full":"Pa1 N1","formula_reduced":"PaN","formula_anonymous":"AB","energy":-21.46960276,"energy_per_atom":-10.73480138,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.10860276,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010094,"is_theoretical":false,"updated_at":"2021-11-28T01:37:52.289000Z","spacegroup":225},{"id":"mp-1071766","created_at":"2022-09-04T14:44:14.277208Z","structure_string":"Zr1 Ta2 N3\n1.0\n2.641399 -4.575037 0.000000\n2.641399 4.575037 0.000000\n0.000000 0.000000 2.984436\nZr Ta N\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.500000 Ta\n0.333333 0.666667 0.500000 Ta\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.500000 0.000000 N\n","nsites":6,"nelements":3,"elements":["Zr","Ta","N"],"chemical_system":"N-Ta-Zr","density":11.398720413687348,"density_atomic":0.08318219281174348,"volume":72.13082268195427,"volume_molar":7.239699455422155,"formula_full":"Zr1 Ta2 N3","formula_reduced":"ZrTa2N3","formula_anonymous":"AB2C3","energy":-64.40520502,"energy_per_atom":-10.734200836666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.32220502,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0044842,"is_theoretical":true,"updated_at":"2021-11-28T01:36:31.431000Z","spacegroup":191},{"id":"mp-752754","created_at":"2022-09-04T14:41:23.603238Z","structure_string":"Hf8 N8 O4\n1.0\n3.092002 0.000000 0.000000\n0.000000 5.884800 0.000000\n0.000000 0.000000 12.226198\nHf N O\n8 8 4\ndirect\n0.250000 0.145542 0.206365 Hf\n0.750000 0.255152 0.455946 Hf\n0.250000 0.244848 0.955946 Hf\n0.750000 0.354458 0.706365 Hf\n0.250000 0.645542 0.293635 Hf\n0.750000 0.755152 0.044054 Hf\n0.250000 0.744848 0.544054 Hf\n0.750000 0.854458 0.793635 Hf\n0.750000 0.136469 0.067529 N\n0.250000 0.147327 0.780788 N\n0.750000 0.352673 0.280788 N\n0.250000 0.363531 0.567529 N\n0.750000 0.636469 0.432471 N\n0.250000 0.647327 0.719212 N\n0.750000 0.852673 0.219212 N\n0.250000 0.863531 0.932471 N\n0.250000 0.029726 0.398854 O\n0.750000 0.470274 0.898854 O\n0.250000 0.529726 0.101146 O\n0.750000 0.970274 0.601146 O\n","nsites":20,"nelements":3,"elements":["Hf","N","O"],"chemical_system":"Hf-N-O","density":11.972442640287762,"density_atomic":0.08990153295240597,"volume":222.46561702777677,"volume_molar":6.6985963000076225,"formula_full":"Hf8 N8 O4","formula_reduced":"Hf2N2O","formula_anonymous":"AB2C2","energy":-214.6799592,"energy_per_atom":-10.73399796,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-209.0439592,"band_gap":0.3483,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001054,"is_theoretical":true,"updated_at":"2021-11-28T01:35:20.840000Z","spacegroup":62},{"id":"mp-673671","created_at":"2022-09-04T14:47:13.057166Z","structure_string":"U11 O5\n1.0\n3.319024 0.000000 0.000000\n1.554677 7.816341 0.000000\n1.546880 0.615466 11.593266\nU O\n11 5\ndirect\n0.919835 0.053108 0.972759 U\n0.773747 0.684229 0.859337 U\n0.543856 0.291154 0.810207 U\n0.212902 0.903724 0.779231 U\n0.811952 0.515759 0.663701 U\n0.739124 0.204256 0.519138 U\n0.352538 0.817574 0.410727 U\n0.046388 0.415520 0.383210 U\n0.798503 0.030857 0.326807 U\n0.249874 0.382868 0.100248 U\n0.534832 0.702829 0.196002 U\n0.314553 0.520897 0.933663 O\n0.889998 0.656950 0.498967 O\n0.674119 0.060494 0.684565 O\n0.255887 0.192710 0.244281 O\n0.950072 0.907978 0.139884 O\n","nsites":16,"nelements":2,"elements":["U","O"],"chemical_system":"O-U","density":14.897797109521733,"density_atomic":0.05319861078100896,"volume":300.75973347995284,"volume_molar":11.320109062227255,"formula_full":"U11 O5","formula_reduced":"U11O5","formula_anonymous":"A5B11","energy":-171.74121818,"energy_per_atom":-10.73382613625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.30621818,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.1704662,"is_theoretical":true,"updated_at":"2021-11-28T01:37:57.307000Z","spacegroup":1},{"id":"mp-755911","created_at":"2022-09-04T14:40:23.296305Z","structure_string":"Hf8 N8 O4\n1.0\n3.095564 0.000000 0.000000\n0.000000 8.419538 0.000000\n0.000000 0.000000 8.482212\nHf N O\n8 8 4\ndirect\n0.250000 0.178674 0.003909 Hf\n0.250000 0.501435 0.181508 Hf\n0.750000 0.001435 0.318492 Hf\n0.750000 0.678674 0.496091 Hf\n0.250000 0.321326 0.503909 Hf\n0.250000 0.998565 0.681508 Hf\n0.750000 0.498565 0.818492 Hf\n0.750000 0.821326 0.996091 Hf\n0.750000 0.366515 0.047242 N\n0.250000 0.944958 0.124787 N\n0.750000 0.444958 0.375213 N\n0.250000 0.866515 0.452758 N\n0.750000 0.133485 0.547242 N\n0.250000 0.555042 0.624787 N\n0.750000 0.055042 0.875213 N\n0.250000 0.633485 0.952758 N\n0.750000 0.690044 0.225228 O\n0.250000 0.190044 0.274772 O\n0.750000 0.809956 0.725228 O\n0.250000 0.309956 0.774772 O\n","nsites":20,"nelements":3,"elements":["Hf","N","O"],"chemical_system":"Hf-N-O","density":12.047820600481916,"density_atomic":0.09046754895898733,"volume":221.07374666541287,"volume_molar":6.656686103798485,"formula_full":"Hf8 N8 O4","formula_reduced":"Hf2N2O","formula_anonymous":"AB2C2","energy":-214.6571059,"energy_per_atom":-10.732855295,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-209.0211059,"band_gap":0.0863000000000004,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.380000Z","spacegroup":62}]}