{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=67","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=65","results":[{"id":"mp-771156","created_at":"2022-09-04T14:46:59.991445Z","structure_string":"Li5 Nb2 Ni5 O12\n1.0\n4.572225 2.563233 0.000000\n-4.572225 2.563233 0.000000\n0.000000 2.042077 9.822595\nLi Nb Ni O\n5 2 5 12\ndirect\n0.817838 0.681549 0.254673 Li\n0.683285 0.825547 0.744643 Li\n0.318451 0.182162 0.745327 Li\n0.174453 0.316715 0.255357 Li\n0.078388 0.921612 0.500000 Li\n0.746522 0.253478 0.500000 Nb\n0.252678 0.747322 0.000000 Nb\n0.922021 0.077979 0.000000 Ni\n0.003870 0.506862 0.746997 Ni\n0.493138 0.996130 0.253003 Ni\n0.582871 0.417129 0.000000 Ni\n0.417336 0.582664 0.500000 Ni\n0.029219 0.221548 0.620842 O\n0.778452 0.970781 0.379158 O\n0.878520 0.373859 0.117763 O\n0.626141 0.121480 0.882237 O\n0.708659 0.527307 0.619129 O\n0.472693 0.291341 0.380871 O\n0.538309 0.707390 0.123302 O\n0.292610 0.461691 0.876698 O\n0.386357 0.880312 0.619623 O\n0.119688 0.613643 0.380377 O\n0.211739 0.033239 0.124083 O\n0.966761 0.788261 0.875917 O\n","nsites":24,"nelements":4,"elements":["Li","Nb","Ni","O"],"chemical_system":"Li-Nb-Ni-O","density":5.091761831656596,"density_atomic":0.10424118231937465,"volume":230.23530111610478,"volume_molar":5.777122463509034,"formula_full":"Li5 Nb2 Ni5 O12","formula_reduced":"Li5Nb2Ni5O12","formula_anonymous":"A2B5C5D12","energy":-166.362818,"energy_per_atom":-6.9317840833333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-145.413818,"band_gap":0.0166000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.9799827,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.929000Z","spacegroup":5},{"id":"mp-1104806","created_at":"2022-09-04T14:47:00.060406Z","structure_string":"Gd2 Al6 C6\n1.0\n1.725052 -2.987878 0.000000\n1.725052 2.987878 0.000000\n0.000000 0.000000 17.445271\nGd Al C\n2 6 6\ndirect\n0.000000 0.000000 0.500000 Gd\n0.000000 0.000000 0.000000 Gd\n0.333333 0.666667 0.365630 Al\n0.666667 0.333333 0.634370 Al\n0.666667 0.333333 0.865630 Al\n0.333333 0.666667 0.134370 Al\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.250000 Al\n0.333333 0.666667 0.905491 C\n0.666667 0.333333 0.094509 C\n0.666667 0.333333 0.405491 C\n0.333333 0.666667 0.594509 C\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n","nsites":14,"nelements":3,"elements":["Gd","Al","C"],"chemical_system":"Al-C-Gd","density":5.064261093644862,"density_atomic":0.07784939972395707,"volume":179.8343988475443,"volume_molar":7.73562902392781,"formula_full":"Gd2 Al6 C6","formula_reduced":"Gd(AlC)3","formula_anonymous":"AB3C3","energy":-109.65565005,"energy_per_atom":-7.832546432142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.65565005,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9995967,"is_theoretical":false,"updated_at":"2021-11-28T01:37:44.663000Z","spacegroup":194},{"id":"mp-1212232","created_at":"2022-09-04T14:47:00.073051Z","structure_string":"Ho4 Ga12 Pd1\n1.0\n-4.318619 4.318619 4.318619\n4.318619 -4.318619 4.318619\n4.318619 4.318619 -4.318619\nHo Ga Pd\n4 12 1\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.500000 Ho\n0.000000 0.500000 0.000000 Ho\n0.500000 0.000000 0.000000 Ho\n0.500000 0.750000 0.250000 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.500000 0.750000 Ga\n0.750000 0.500000 0.250000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.000000 0.296094 0.296094 Ga\n0.000000 0.703906 0.703906 Ga\n0.296094 0.000000 0.296094 Ga\n0.703906 0.000000 0.703906 Ga\n0.296094 0.296094 0.000000 Ga\n0.703906 0.703906 0.000000 Ga\n0.000000 0.000000 0.000000 Pd\n","nsites":17,"nelements":3,"elements":["Ho","Ga","Pd"],"chemical_system":"Ga-Ho-Pd","density":8.261110830616193,"density_atomic":0.05276601014952258,"volume":322.17709756389104,"volume_molar":11.412916653988267,"formula_full":"Ho4 Ga12 Pd1","formula_reduced":"Ho4Ga12Pd","formula_anonymous":"AB4C12","energy":-70.07839148,"energy_per_atom":-4.122258322352941,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.07839148,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015507,"is_theoretical":false,"updated_at":"2021-11-28T01:37:44.229000Z","spacegroup":229},{"id":"mp-1095838","created_at":"2022-09-04T14:47:15.977204Z","structure_string":"Na2 Tl1 Hg1\n1.0\n-6.369666 6.538755 9.236986\n6.369666 -6.538755 9.236986\n6.369666 6.538755 -9.236986\nNa Tl Hg\n2 1 1\ndirect\n0.000000 0.249656 0.249656 Na\n0.000000 0.750344 0.750344 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["Na","Tl","Hg"],"chemical_system":"Hg-Na-Tl","density":0.48660685236228846,"density_atomic":0.002599309471098079,"volume":1538.870243992224,"volume_molar":231.68233051741794,"formula_full":"Na2 Tl1 Hg1","formula_reduced":"Na2TlHg","formula_anonymous":"ABC2","energy":-2.88531033,"energy_per_atom":-0.7213275825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.88531033,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9910343,"is_theoretical":true,"updated_at":"2021-11-28T01:38:04.865000Z","spacegroup":71},{"id":"mp-1182723","created_at":"2022-09-04T14:46:59.908976Z","structure_string":"K8 Fe8 P8 O28 F8\n1.0\n6.669422 0.000000 0.000000\n0.000000 9.743570 0.000000\n0.000000 0.000000 16.586247\nK Fe P O F\n8 8 8 28 8\ndirect\n0.412229 0.025742 0.830440 K\n0.087771 0.525742 0.669560 K\n0.087771 0.025742 0.330440 K\n0.412229 0.525742 0.169560 K\n0.912229 0.974258 0.669560 K\n0.587771 0.974258 0.169560 K\n0.912229 0.474258 0.330440 K\n0.587771 0.474258 0.830440 K\n0.000000 0.750000 0.842569 Fe\n0.500000 0.250000 0.657431 Fe\n0.500000 0.750000 0.342569 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.250000 0.157431 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.226305 0.712213 0.471854 P\n0.726305 0.787787 0.971854 P\n0.726305 0.287787 0.028146 P\n0.273695 0.212213 0.028146 P\n0.226305 0.212213 0.528146 P\n0.773695 0.287787 0.528146 P\n0.273695 0.712213 0.971854 P\n0.773695 0.787787 0.471854 P\n0.824001 0.651021 0.944693 O\n0.675999 0.651021 0.444693 O\n0.175999 0.348979 0.055307 O\n0.242422 0.111716 0.599217 O\n0.324002 0.348979 0.555307 O\n0.188481 0.149595 0.950910 O\n0.000000 0.250000 0.503685 O\n0.000000 0.750000 0.496315 O\n0.757578 0.388284 0.599217 O\n0.188481 0.649595 0.049090 O\n0.311519 0.649595 0.549090 O\n0.811519 0.350405 0.950910 O\n0.811519 0.850405 0.049090 O\n0.742422 0.888284 0.900783 O\n0.824001 0.151021 0.055307 O\n0.242422 0.611716 0.400783 O\n0.311519 0.149595 0.450910 O\n0.757578 0.888284 0.400783 O\n0.175999 0.848979 0.944693 O\n0.324002 0.848979 0.444693 O\n0.675999 0.151021 0.555307 O\n0.500000 0.250000 0.003685 O\n0.688481 0.350405 0.450910 O\n0.742422 0.388284 0.099217 O\n0.257578 0.111716 0.099217 O\n0.688481 0.850405 0.549090 O\n0.257578 0.611716 0.900783 O\n0.500000 0.750000 0.996315 O\n0.167015 0.842812 0.760912 F\n0.832985 0.157188 0.239088 F\n0.332985 0.342812 0.739088 F\n0.167015 0.342812 0.239088 F\n0.667015 0.657188 0.260912 F\n0.332985 0.842812 0.260912 F\n0.832985 0.657188 0.760912 F\n0.667015 0.157188 0.739088 F\n","nsites":60,"nelements":5,"elements":["K","Fe","P","O","F"],"chemical_system":"F-Fe-K-O-P","density":2.4762442295657543,"density_atomic":0.0556668715028923,"volume":1077.8403452560212,"volume_molar":10.818177126564597,"formula_full":"K8 Fe8 P8 O28 F8","formula_reduced":"K2Fe2P2O7F2","formula_anonymous":"A2B2C2D2E7","energy":-422.74821673,"energy_per_atom":-7.045803612166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-381.76821673,"band_gap":3.5208,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":31.9999502,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.587000Z","spacegroup":60},{"id":"mp-1223074","created_at":"2022-09-04T14:46:59.912880Z","structure_string":"La4 Cu3 Sb8\n1.0\n-3.140617 3.140617 10.100212\n3.140617 -3.140617 10.100212\n3.140617 3.140617 -10.100212\nLa Cu Sb\n4 3 8\ndirect\n0.630196 0.630196 0.501310 La\n0.128885 0.128885 0.498690 La\n0.369804 0.871115 0.000000 La\n0.871115 0.369804 0.000000 La\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.323523 0.323523 0.505419 Sb\n0.818104 0.818104 0.494581 Sb\n0.676477 0.181896 0.000000 Sb\n0.181896 0.676477 0.000000 Sb\n0.249828 0.249828 0.000000 Sb\n0.750172 0.750172 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 Sb\n","nsites":15,"nelements":3,"elements":["La","Cu","Sb"],"chemical_system":"Cu-La-Sb","density":7.168741482805684,"density_atomic":0.03764183821899134,"volume":398.492759910755,"volume_molar":15.998529946823012,"formula_full":"La4 Cu3 Sb8","formula_reduced":"La4Cu3Sb8","formula_anonymous":"A3B4C8","energy":-78.10944712,"energy_per_atom":-5.207296474666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.57344712,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0085623,"is_theoretical":true,"updated_at":"2021-11-28T01:37:42.609000Z","spacegroup":121},{"id":"mp-1028349","created_at":"2022-09-04T14:46:59.920555Z","structure_string":"Mg14 Nb1 Ni1\n1.0\n6.261137 -0.000000 0.000000\n-3.130568 5.422303 -0.000000\n0.000000 0.000000 9.825040\nMg Nb Ni\n14 1 1\ndirect\n0.164171 0.832085 0.125000 Mg\n0.173405 0.836702 0.625000 Mg\n0.667915 0.335829 0.125000 Mg\n0.663298 0.326595 0.625000 Mg\n0.667915 0.832085 0.125000 Mg\n0.663298 0.836702 0.625000 Mg\n0.323984 0.176016 0.369041 Mg\n0.323984 0.176016 0.880959 Mg\n0.323984 0.647968 0.369041 Mg\n0.323984 0.647968 0.880959 Mg\n0.852032 0.176016 0.369041 Mg\n0.852032 0.176016 0.880959 Mg\n0.833333 0.666667 0.379725 Mg\n0.833333 0.666667 0.870275 Mg\n0.166667 0.333333 0.625000 Nb\n0.166667 0.333333 0.125000 Ni\n","nsites":16,"nelements":3,"elements":["Mg","Nb","Ni"],"chemical_system":"Mg-Nb-Ni","density":2.4486568145799064,"density_atomic":0.04796767474652945,"volume":333.5579655371481,"volume_molar":12.554581375524595,"formula_full":"Mg14 Nb1 Ni1","formula_reduced":"Mg14NbNi","formula_anonymous":"ABC14","energy":-36.84402002,"energy_per_atom":-2.30275125125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.84402002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0351749,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.111000Z","spacegroup":187},{"id":"mp-1207582","created_at":"2022-09-04T14:46:59.923646Z","structure_string":"Yb4 Cr4 O12\n1.0\n5.242462 0.000000 0.000000\n0.000000 5.456257 0.000000\n0.000000 0.000000 7.459272\nYb Cr O\n4 4 12\ndirect\n0.012578 0.443501 0.250000 Yb\n0.987422 0.556499 0.750000 Yb\n0.512578 0.056499 0.750000 Yb\n0.487422 0.943501 0.250000 Yb\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.293091 0.200017 0.043187 O\n0.706909 0.799983 0.956813 O\n0.793091 0.299983 0.956813 O\n0.706909 0.799983 0.543187 O\n0.206909 0.700017 0.043187 O\n0.293091 0.200017 0.456813 O\n0.206909 0.700017 0.456813 O\n0.793091 0.299983 0.543187 O\n0.583632 0.523835 0.250000 O\n0.416368 0.476165 0.750000 O\n0.083632 0.976165 0.750000 O\n0.916368 0.023835 0.250000 O\n","nsites":20,"nelements":3,"elements":["Yb","Cr","O"],"chemical_system":"Cr-O-Yb","density":8.499624591617893,"density_atomic":0.09373535800368166,"volume":213.36665721396676,"volume_molar":6.424620216165887,"formula_full":"Yb4 Cr4 O12","formula_reduced":"YbCrO3","formula_anonymous":"ABC3","energy":-160.48406081000002,"energy_per_atom":-8.024203040500002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.24406081,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9994397,"is_theoretical":false,"updated_at":"2021-11-28T01:37:45.137000Z","spacegroup":62},{"id":"mp-1213203","created_at":"2022-09-04T14:46:59.928350Z","structure_string":"Er12 Mn5 C15\n1.0\n0.000000 0.000000 -4.976397\n-5.188665 -8.987032 0.000000\n-5.188665 8.987032 0.000000\nEr Mn C\n12 5 15\ndirect\n0.500000 0.206906 0.206906 Er\n0.500000 0.000000 0.793094 Er\n0.500000 0.793094 0.000000 Er\n0.000000 0.730190 0.185252 Er\n0.000000 0.455062 0.269810 Er\n0.000000 0.544938 0.814748 Er\n0.000000 0.814748 0.544938 Er\n0.000000 0.185252 0.730190 Er\n0.000000 0.269810 0.455062 Er\n0.500000 0.571809 0.571809 Er\n0.500000 0.000000 0.428191 Er\n0.500000 0.428191 0.000000 Er\n0.000000 0.847194 0.847194 Mn\n0.000000 0.000000 0.152806 Mn\n0.000000 0.152806 0.000000 Mn\n0.500000 0.666667 0.333333 Mn\n0.500000 0.333333 0.666667 Mn\n0.000000 0.675498 0.675498 C\n0.000000 0.000000 0.324502 C\n0.000000 0.324502 0.000000 C\n0.000000 0.202974 0.202974 C\n0.000000 0.000000 0.797026 C\n0.000000 0.797026 0.000000 C\n0.000000 0.544781 0.544781 C\n0.000000 0.000000 0.455219 C\n0.000000 0.455219 0.000000 C\n0.500000 0.715643 0.191417 C\n0.500000 0.475774 0.284357 C\n0.500000 0.524226 0.808583 C\n0.500000 0.808583 0.524226 C\n0.500000 0.191417 0.715643 C\n0.500000 0.284357 0.475774 C\n","nsites":32,"nelements":3,"elements":["Er","Mn","C"],"chemical_system":"C-Er-Mn","density":8.808722524581935,"density_atomic":0.068949805130007,"volume":464.1057351744941,"volume_molar":8.73409395232527,"formula_full":"Er12 Mn5 C15","formula_reduced":"Er12(MnC3)5","formula_anonymous":"A5B12C15","energy":-251.01609305,"energy_per_atom":-7.8442529078125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-251.01609305,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9929479,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.680000Z","spacegroup":189},{"id":"mp-1238821","created_at":"2022-09-04T14:46:59.929711Z","structure_string":"Si3 B1\n1.0\n3.647779 0.000000 0.000000\n0.000000 3.647779 0.000000\n0.000000 0.000000 3.647779\nSi B\n3 1\ndirect\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 B\n","nsites":4,"nelements":2,"elements":["Si","B"],"chemical_system":"B-Si","density":3.2523375581570386,"density_atomic":0.08240896029042476,"volume":48.538411186153105,"volume_molar":7.307628610744315,"formula_full":"Si3 B1","formula_reduced":"Si3B","formula_anonymous":"AB3","energy":-19.11456113,"energy_per_atom":-4.7786402825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.11456113,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.64e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.041000Z","spacegroup":221},{"id":"mp-1220736","created_at":"2022-09-04T14:46:59.939512Z","structure_string":"Na1 In1 Sn4\n1.0\n-3.693207 3.693207 3.075811\n3.693207 -3.693207 3.075811\n3.693207 3.693207 -3.075811\nNa In Sn\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 In\n0.600872 0.100872 0.201744 Sn\n0.899128 0.399128 0.798256 Sn\n0.399128 0.600872 0.500000 Sn\n0.100872 0.899128 0.500000 Sn\n","nsites":6,"nelements":3,"elements":["Na","In","Sn"],"chemical_system":"In-Na-Sn","density":6.062238478913519,"density_atomic":0.03575397344176398,"volume":167.81351616129578,"volume_molar":16.843276929230967,"formula_full":"Na1 In1 Sn4","formula_reduced":"NaInSn4","formula_anonymous":"ABC4","energy":-19.67020154,"energy_per_atom":-3.2783669233333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.67020154,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.51e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.394000Z","spacegroup":97},{"id":"mp-1238781","created_at":"2022-09-04T14:46:57.543967Z","structure_string":"La4 Al2 O9\n1.0\n5.554378 -0.011653 0.617783\n-0.111748 6.418580 0.100761\n-1.396137 0.035876 7.347102\nLa Al O\n4 2 9\ndirect\n0.156477 0.860321 0.707477 La\n0.129403 0.672932 0.226976 La\n0.729796 0.415088 0.872417 La\n0.692371 0.162782 0.367169 La\n0.224528 0.340100 0.660192 Al\n0.221262 0.211927 0.089471 Al\n0.127076 0.204060 0.857062 O\n0.941966 0.391461 0.554991 O\n0.393703 0.572219 0.699963 O\n0.348559 0.978075 0.174299 O\n0.435379 0.151499 0.608557 O\n0.440872 0.410407 0.139020 O\n0.943864 0.876309 0.436107 O\n0.949907 0.313563 0.157752 O\n0.942128 0.705779 0.938822 O\n","nsites":15,"nelements":3,"elements":["La","Al","O"],"chemical_system":"Al-La-O","density":4.679008901194217,"density_atomic":0.05608760872186933,"volume":267.4387505871915,"volume_molar":10.737025338097332,"formula_full":"La4 Al2 O9","formula_reduced":"La4Al2O9","formula_anonymous":"A2B4C9","energy":-126.00670756000002,"energy_per_atom":-8.400447170666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-119.82370756,"band_gap":3.5749000000000004,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0014146,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.553000Z","spacegroup":1}]}