{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-elements&page=10208","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-elements&page=10206","results":[{"id":"mp-884675","created_at":"2022-09-04T14:41:19.125230Z","structure_string":"Ba4 Cu4 O8\n1.0\n3.702762 0.000000 0.000000\n0.000000 6.061117 0.000000\n0.000000 0.000000 11.910431\nBa Cu O\n4 4 8\ndirect\n0.500000 0.730976 0.642717 Ba\n0.500000 0.269024 0.357283 Ba\n0.500000 0.230976 0.857283 Ba\n0.500000 0.769024 0.142717 Ba\n0.000000 0.733395 0.873698 Cu\n0.000000 0.266605 0.126302 Cu\n0.000000 0.233395 0.626302 Cu\n0.000000 0.766605 0.373698 Cu\n0.500000 0.738900 0.414527 O\n0.500000 0.761100 0.914527 O\n0.000000 0.008384 0.260466 O\n0.000000 0.991616 0.739534 O\n0.500000 0.261100 0.585473 O\n0.500000 0.238900 0.085473 O\n0.000000 0.508384 0.239534 O\n0.000000 0.491616 0.760466 O\n","nsites":16,"nelements":3,"elements":["Ba","Cu","O"],"chemical_system":"Ba-Cu-O","density":5.786554474133582,"density_atomic":0.0598568750199599,"volume":267.3042987069511,"volume_molar":10.060900703539659,"formula_full":"Ba4 Cu4 O8","formula_reduced":"BaCuO2","formula_anonymous":"ABC2","energy":-93.77050417,"energy_per_atom":-5.860656510625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.27450417,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.4575937,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.003000Z","spacegroup":55},{"id":"mp-7374","created_at":"2022-09-04T14:41:14.962820Z","structure_string":"Ba2 Cu4 O4\n1.0\n-2.898742 2.898742 5.074627\n2.898742 -2.898742 5.074627\n2.898742 2.898742 -5.074627\nBa Cu O\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Ba\n0.375000 0.625000 0.250000 Cu\n0.875000 0.625000 0.250000 Cu\n0.375000 0.125000 0.750000 Cu\n0.375000 0.625000 0.750000 Cu\n0.737922 0.737922 0.000000 O\n0.487922 0.987922 0.500000 O\n0.012078 0.512078 0.500000 O\n0.262078 0.262078 0.000000 O\n","nsites":10,"nelements":3,"elements":["Ba","Cu","O"],"chemical_system":"Ba-Cu-O","density":5.771651892284358,"density_atomic":0.058629576437495105,"volume":170.56237836991681,"volume_molar":10.271506509040185,"formula_full":"Ba2 Cu4 O4","formula_reduced":"Ba(CuO)2","formula_anonymous":"AB2C2","energy":-56.19250708,"energy_per_atom":-5.619250708,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.44450708,"band_gap":1.3863,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":3.03e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:18.539000Z","spacegroup":141},{"id":"mp-754008","created_at":"2022-09-04T14:41:21.243046Z","structure_string":"Ba4 Cu4 O8\n1.0\n6.061027 0.000000 0.033109\n0.000000 11.910431 0.000000\n-0.020803 0.000000 3.702704\nBa Cu O\n4 4 8\ndirect\n0.981441 0.892990 0.501041 Ba\n0.519488 0.607555 0.497151 Ba\n0.480512 0.107555 0.502849 Ba\n0.018559 0.392990 0.498959 Ba\n0.983860 0.123971 0.005680 Cu\n0.514513 0.376855 0.002729 Cu\n0.485487 0.876855 0.997271 Cu\n0.016140 0.623971 0.994320 Cu\n0.989364 0.664800 0.494293 O\n0.010636 0.164800 0.505707 O\n0.258849 0.510738 0.997286 O\n0.241587 0.989463 0.001582 O\n0.511147 0.835629 0.497375 O\n0.488853 0.335629 0.502625 O\n0.758413 0.489463 0.998418 O\n0.741151 0.010738 0.002714 O\n","nsites":16,"nelements":3,"elements":["Ba","Cu","O"],"chemical_system":"Ba-Cu-O","density":5.7865534483685845,"density_atomic":0.05985686440931283,"volume":267.3043460911835,"volume_molar":10.060902487005395,"formula_full":"Ba4 Cu4 O8","formula_reduced":"BaCuO2","formula_anonymous":"ABC2","energy":-93.70268849,"energy_per_atom":-5.856418030625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.20668849,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0468682,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.834000Z","spacegroup":55},{"id":"mp-772788","created_at":"2022-09-04T14:45:00.234908Z","structure_string":"Ba8 Cu8 O20\n1.0\n4.138546 0.000000 0.000000\n0.000000 11.543447 0.000000\n0.000000 0.000000 13.764751\nBa Cu O\n8 8 20\ndirect\n0.258290 0.054338 0.860517 Ba\n0.259004 0.194100 0.543682 Ba\n0.759004 0.305900 0.043682 Ba\n0.758290 0.445662 0.360517 Ba\n0.241710 0.554338 0.860517 Ba\n0.240996 0.694100 0.543682 Ba\n0.740996 0.805900 0.043682 Ba\n0.741710 0.945662 0.360517 Ba\n0.234393 0.018567 0.156420 Cu\n0.271435 0.234538 0.249718 Cu\n0.771435 0.265462 0.749718 Cu\n0.734393 0.481433 0.656420 Cu\n0.265607 0.518567 0.156420 Cu\n0.228565 0.734538 0.249718 Cu\n0.728565 0.765462 0.749718 Cu\n0.765607 0.981433 0.656420 Cu\n0.230697 0.079827 0.283724 O\n0.725516 0.035876 0.531480 O\n0.906271 0.124054 0.700896 O\n0.273995 0.173142 0.123108 O\n0.743181 0.209498 0.874455 O\n0.243181 0.290502 0.374455 O\n0.773995 0.326858 0.623108 O\n0.406271 0.375946 0.200896 O\n0.225516 0.464124 0.031480 O\n0.730697 0.420173 0.783724 O\n0.269303 0.579827 0.283724 O\n0.774484 0.535876 0.531480 O\n0.593729 0.624054 0.700896 O\n0.226005 0.673142 0.123108 O\n0.756819 0.709498 0.874455 O\n0.256819 0.790502 0.374455 O\n0.726005 0.826858 0.623108 O\n0.093729 0.875946 0.200896 O\n0.274484 0.964124 0.031480 O\n0.769303 0.920173 0.783724 O\n","nsites":36,"nelements":3,"elements":["Ba","Cu","O"],"chemical_system":"Ba-Cu-O","density":4.86600826253452,"density_atomic":0.05474580437243388,"volume":657.5846389084578,"volume_molar":11.000186825334737,"formula_full":"Ba8 Cu8 O20","formula_reduced":"Ba2Cu2O5","formula_anonymous":"A2B2C5","energy":-216.44875503,"energy_per_atom":-6.0124654175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-202.70875503,"band_gap":0.7701,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002362,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.611000Z","spacegroup":33},{"id":"mp-1182377","created_at":"2022-09-04T14:45:19.582456Z","structure_string":"Ba4 Cu2 O12\n1.0\n6.705313 0.000000 0.000000\n0.000000 5.333542 0.000000\n0.000000 5.282626 8.725606\nBa Cu O\n4 2 12\ndirect\n0.432587 0.210570 0.261812 Ba\n0.932587 0.789430 0.238188 Ba\n0.567413 0.789430 0.738188 Ba\n0.067413 0.210570 0.761812 Ba\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.175524 0.739214 0.489236 O\n0.675524 0.260786 0.010764 O\n0.824476 0.260786 0.510764 O\n0.324476 0.739214 0.989236 O\n0.750924 0.894302 0.465483 O\n0.250924 0.105698 0.034517 O\n0.249076 0.105698 0.534517 O\n0.749076 0.894302 0.965483 O\n0.025798 0.248738 0.288160 O\n0.525797 0.751262 0.211840 O\n0.974202 0.751262 0.711840 O\n0.474202 0.248738 0.788160 O\n","nsites":18,"nelements":3,"elements":["Ba","Cu","O"],"chemical_system":"Ba-Cu-O","density":4.620989035508125,"density_atomic":0.05768224192710275,"volume":312.0544451574526,"volume_molar":10.440198852899336,"formula_full":"Ba4 Cu2 O12","formula_reduced":"Ba2CuO6","formula_anonymous":"AB2C6","energy":-101.28596182,"energy_per_atom":-5.626997878888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.04196182,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9960615,"is_theoretical":false,"updated_at":"2021-11-28T01:37:00.795000Z","spacegroup":14},{"id":"mp-752398","created_at":"2022-09-04T14:39:08.316302Z","structure_string":"Ba1 Cu1 O2\n1.0\n4.024772 0.000000 0.000000\n0.000000 4.024772 0.000000\n0.000000 0.000000 3.877339\nBa Cu O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n","nsites":4,"nelements":3,"elements":["Ba","Cu","O"],"chemical_system":"Ba-Cu-O","density":6.156723618315564,"density_atomic":0.06368595297966648,"volume":62.80819887043398,"volume_molar":9.455995361995662,"formula_full":"Ba1 Cu1 O2","formula_reduced":"BaCuO2","formula_anonymous":"ABC2","energy":-23.57266998,"energy_per_atom":-5.893167495,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.19866998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004168,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.521000Z","spacegroup":123},{"id":"mp-766417","created_at":"2022-09-04T14:39:34.390416Z","structure_string":"Ba10 Cu5 O17\n1.0\n5.788439 0.000000 0.000000\n-2.642283 8.690797 0.000000\n-0.392784 -0.865313 10.779477\nBa Cu O\n10 5 17\ndirect\n0.409407 0.324817 0.881477 Ba\n0.030756 0.529635 0.684587 Ba\n0.778650 0.070562 0.717009 Ba\n0.396928 0.272823 0.511955 Ba\n0.969244 0.470365 0.315413 Ba\n0.221350 0.929438 0.282991 Ba\n0.603072 0.727177 0.488045 Ba\n0.804269 0.127903 0.088736 Ba\n0.590593 0.675183 0.118523 Ba\n0.195731 0.872097 0.911264 Ba\n0.612072 0.705570 0.795622 Cu\n0.795714 0.101549 0.399104 Cu\n0.204286 0.898451 0.600896 Cu\n0.387928 0.294430 0.204378 Cu\n0.000000 0.500000 0.000000 Cu\n0.909509 0.322275 0.882347 O\n0.541090 0.518141 0.690821 O\n0.276078 0.085356 0.711136 O\n0.905202 0.272388 0.526641 O\n0.458910 0.481859 0.309179 O\n0.403976 0.796147 0.704343 O\n0.918297 0.807301 0.693109 O\n0.500000 0.000000 0.500000 O\n0.596024 0.203853 0.295657 O\n0.081703 0.192699 0.306891 O\n0.722102 0.414935 0.085409 O\n0.094798 0.727612 0.473359 O\n0.289723 0.132112 0.073935 O\n0.723922 0.914644 0.288864 O\n0.090491 0.677725 0.117653 O\n0.710277 0.867888 0.926065 O\n0.277898 0.585065 0.914591 O\n","nsites":32,"nelements":3,"elements":["Ba","Cu","O"],"chemical_system":"Ba-Cu-O","density":6.011022913693128,"density_atomic":0.059010761825219915,"volume":542.27396851406,"volume_molar":10.205156777735867,"formula_full":"Ba10 Cu5 O17","formula_reduced":"Ba10Cu5O17","formula_anonymous":"A5B10C17","energy":-194.60044601,"energy_per_atom":-6.0812639378125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.92144601,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9965217,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.887000Z","spacegroup":2},{"id":"mp-8790","created_at":"2022-09-04T14:46:26.795970Z","structure_string":"Ba2 Cu1 O3\n1.0\n-1.927091 2.086803 6.590733\n1.927091 -2.086803 6.590733\n1.927091 2.086803 -6.590733\nBa Cu O\n2 1 3\ndirect\n0.145238 0.645238 0.500000 Ba\n0.854762 0.354762 0.500000 Ba\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 O\n0.352672 0.852672 0.500000 O\n0.647328 0.147328 0.500000 O\n","nsites":6,"nelements":3,"elements":["Ba","Cu","O"],"chemical_system":"Ba-Cu-O","density":6.048977342251154,"density_atomic":0.05659445283019313,"volume":106.01745754133347,"volume_molar":10.640867538853895,"formula_full":"Ba2 Cu1 O3","formula_reduced":"Ba2CuO3","formula_anonymous":"AB2C3","energy":-36.49649074,"energy_per_atom":-6.082748456666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.43549074,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0049955,"is_theoretical":false,"updated_at":"2021-11-28T01:37:40.911000Z","spacegroup":71},{"id":"mp-1076800","created_at":"2022-09-04T14:43:43.529297Z","structure_string":"Ba1 Cu1 O3\n1.0\n4.003691 0.000000 0.000000\n0.000000 4.003691 0.000000\n0.000000 0.000000 4.003691\nBa Cu O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Cu\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":["Ba","Cu","O"],"chemical_system":"Ba-Cu-O","density":6.439350784555453,"density_atomic":0.07790912898119681,"volume":64.17733153205626,"volume_molar":7.7296984817445855,"formula_full":"Ba1 Cu1 O3","formula_reduced":"BaCuO3","formula_anonymous":"ABC3","energy":-29.17789508,"energy_per_atom":-5.835579016,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.11689508,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.630671,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.309000Z","spacegroup":221},{"id":"mp-1147762","created_at":"2022-09-04T14:42:40.007761Z","structure_string":"Ba4 Cu2 O8\n1.0\n5.187705 0.000000 -1.867506\n-0.672278 5.143960 -1.867506\n0.114731 0.130701 8.457870\nBa Cu O\n4 2 8\ndirect\n0.371094 0.871094 0.742188 Ba\n0.871094 0.371094 0.742188 Ba\n0.128906 0.628906 0.257812 Ba\n0.628906 0.128906 0.257812 Ba\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.204872 0.204872 0.409744 O\n0.307512 0.307512 0.615024 O\n0.692488 0.692488 0.384976 O\n0.750605 0.750605 0.000000 O\n0.795128 0.795128 0.590256 O\n0.249395 0.249395 0.000000 O\n0.249395 0.750605 0.000000 O\n0.750605 0.249395 0.000000 O\n","nsites":14,"nelements":3,"elements":["Ba","Cu","O"],"chemical_system":"Ba-Cu-O","density":5.8524651736909785,"density_atomic":0.061340640413570936,"volume":228.23367844889106,"volume_molar":9.817538127084289,"formula_full":"Ba4 Cu2 O8","formula_reduced":"Ba2CuO4","formula_anonymous":"AB2C4","energy":-81.95951984999999,"energy_per_atom":-5.854251417857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.23951985,"band_gap":0.4877000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001008,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.278000Z","spacegroup":139},{"id":"mp-1048179","created_at":"2022-09-04T14:48:09.963801Z","structure_string":"Ba2 Cu8 O14\n1.0\n3.198071 -5.539222 0.000000\n3.198071 5.539222 0.000000\n0.000000 0.000000 10.320569\nBa Cu O\n2 8 14\ndirect\n0.666667 0.333333 0.492516 Ba\n0.333333 0.666667 0.992516 Ba\n0.830374 0.169626 0.190141 Cu\n0.660748 0.830374 0.690141 Cu\n0.169626 0.339252 0.690141 Cu\n0.830374 0.660748 0.190141 Cu\n0.339252 0.169626 0.190141 Cu\n0.169626 0.830374 0.690141 Cu\n0.000000 0.000000 0.437385 Cu\n0.000000 0.000000 0.937385 Cu\n0.848335 0.151665 0.012545 O\n0.696671 0.848335 0.512545 O\n0.151665 0.303329 0.512545 O\n0.848335 0.696671 0.012545 O\n0.303329 0.151665 0.012545 O\n0.151665 0.848335 0.512545 O\n0.000000 0.000000 0.752722 O\n0.000000 0.000000 0.252722 O\n0.518687 0.481313 0.254456 O\n0.037375 0.518687 0.754456 O\n0.481313 0.962625 0.754456 O\n0.518687 0.037375 0.254456 O\n0.481313 0.518687 0.754456 O\n0.962625 0.481313 0.254456 O\n","nsites":24,"nelements":3,"elements":["Ba","Cu","O"],"chemical_system":"Ba-Cu-O","density":4.5731339634378365,"density_atomic":0.06563579229121021,"volume":365.6541524404517,"volume_molar":9.17508656447874,"formula_full":"Ba2 Cu8 O14","formula_reduced":"BaCu4O7","formula_anonymous":"AB4C7","energy":-129.8312304,"energy_per_atom":-5.4096346,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-120.2132304,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9734451,"is_theoretical":true,"updated_at":"2021-11-28T01:38:31.248000Z","spacegroup":186},{"id":"mp-3988","created_at":"2022-09-04T14:47:31.764174Z","structure_string":"Ba1 Cu3 O4\n1.0\n2.775981 -5.551706 0.000000\n2.775981 5.551706 0.000000\n0.000000 0.000000 4.037369\nBa Cu O\n1 3 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Cu\n0.752361 0.247639 0.000000 Cu\n0.247639 0.752361 0.000000 Cu\n0.125673 0.384212 0.000000 O\n0.874327 0.615788 0.000000 O\n0.384212 0.125673 0.000000 O\n0.615788 0.874327 0.000000 O\n","nsites":8,"nelements":3,"elements":["Ba","Cu","O"],"chemical_system":"Ba-Cu-O","density":5.230248685362316,"density_atomic":0.0642863248767951,"volume":124.44326247194905,"volume_molar":9.367685540496286,"formula_full":"Ba1 Cu3 O4","formula_reduced":"BaCu3O4","formula_anonymous":"AB3C4","energy":-45.66162722,"energy_per_atom":-5.7077034025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.91362722,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7229094,"is_theoretical":false,"updated_at":"2021-11-28T01:38:08.599000Z","spacegroup":65}]}