{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=35","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=33","results":[{"id":"mp-1222363","created_at":"2022-09-04T14:48:31.227192Z","structure_string":"Li1 La4 Al1 O8\n1.0\n2.691256 -6.348009 0.000000\n2.691256 6.348009 0.000000\n0.000000 0.000000 5.394933\nLi La Al O\n1 4 1 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.362896 0.637104 0.000000 La\n0.863871 0.136129 0.500000 La\n0.136129 0.863871 0.500000 La\n0.637104 0.362896 0.000000 La\n0.500000 0.500000 0.500000 Al\n0.180361 0.819639 0.000000 O\n0.670408 0.329592 0.500000 O\n0.329592 0.670408 0.500000 O\n0.819639 0.180361 0.000000 O\n0.257393 0.257393 0.260832 O\n0.742607 0.742607 0.739168 O\n0.257393 0.257393 0.739168 O\n0.742607 0.742607 0.260832 O\n","nsites":14,"nelements":4,"elements":["Li","La","Al","O"],"chemical_system":"Al-La-Li-O","density":6.463777326527664,"density_atomic":0.07594854175085851,"volume":184.33533649567073,"volume_molar":7.929238167277816,"formula_full":"Li1 La4 Al1 O8","formula_reduced":"LiLa4AlO8","formula_anonymous":"ABC4D8","energy":-115.29419208,"energy_per_atom":-8.235299434285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.79819208,"band_gap":2.545000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001529,"is_theoretical":true,"updated_at":"2021-11-28T01:39:59.089000Z","spacegroup":65},{"id":"mp-2404","created_at":"2022-09-04T14:48:15.722393Z","structure_string":"Ca2 Al4\n1.0\n0.000000 4.008064 4.008064\n4.008064 0.000000 4.008064\n4.008064 4.008064 0.000000\nCa Al\n2 4\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ca\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.125000 0.625000 0.625000 Al\n0.625000 0.625000 0.625000 Al\n","nsites":6,"nelements":2,"elements":["Ca","Al"],"chemical_system":"Al-Ca","density":2.425284826496,"density_atomic":0.04659263924285973,"volume":128.77570572307712,"volume_molar":12.925090438878469,"formula_full":"Ca2 Al4","formula_reduced":"CaAl2","formula_anonymous":"AB2","energy":-20.96070844,"energy_per_atom":-3.493451406666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.96070844,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0077637,"is_theoretical":false,"updated_at":"2021-11-28T01:39:59.037000Z","spacegroup":227},{"id":"mp-1233200","created_at":"2022-09-04T14:48:30.916404Z","structure_string":"Mg1 Mn6 O4 F8\n1.0\n-5.293561 0.318302 -0.055040\n-0.416397 4.698951 -6.507526\n0.287881 -4.656235 -3.236412\nMg Mn O F\n1 6 4 8\ndirect\n0.027146 0.167611 0.699721 Mg\n0.498155 0.997431 0.522333 Mn\n0.530613 0.670141 0.141372 Mn\n0.502770 0.353522 0.823060 Mn\n0.962697 0.685326 0.658585 Mn\n0.041102 0.366548 0.289225 Mn\n0.909060 0.918995 0.136531 Mn\n0.748437 0.761088 0.897406 O\n0.731819 0.787431 0.404459 O\n0.687713 0.455281 0.125032 O\n0.314822 0.236580 0.539439 O\n0.846368 0.409249 0.642882 F\n0.840027 0.121033 0.372398 F\n0.733257 0.106941 0.855640 F\n0.249608 0.586852 0.892768 F\n0.304968 0.890742 0.181427 F\n0.193215 0.598244 0.404894 F\n0.197016 0.237088 0.005685 F\n0.167314 0.924894 0.688394 F\n","nsites":19,"nelements":4,"elements":["Mg","Mn","O","F"],"chemical_system":"F-Mg-Mn-O","density":3.945786473553448,"density_atomic":0.07921832156968563,"volume":239.84350619302575,"volume_molar":7.601954498243857,"formula_full":"Mg1 Mn6 O4 F8","formula_reduced":"MgMn6(OF2)4","formula_anonymous":"AB4C6D8","energy":-141.22308275,"energy_per_atom":-7.432793828947369,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-124.77108275,"band_gap":0.3281,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.0044204,"is_theoretical":true,"updated_at":"2021-11-28T01:39:59.013000Z","spacegroup":1},{"id":"mp-775232","created_at":"2022-09-04T14:48:31.175130Z","structure_string":"Li2 Cr8 P6 O24\n1.0\n-3.432693 3.432693 9.566209\n3.432693 -3.432693 9.566209\n3.432693 3.432693 -9.566209\nLi Cr P O\n2 8 6 24\ndirect\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.375000 0.372417 0.497417 Cr\n0.775298 0.775298 0.000000 Cr\n0.627583 0.125000 0.002583 Cr\n0.875000 0.877583 0.502583 Cr\n0.224702 0.224702 0.000000 Cr\n0.525298 0.025298 0.500000 Cr\n0.974702 0.474702 0.500000 Cr\n0.122417 0.625000 0.997417 Cr\n0.000000 0.000000 0.000000 P\n0.875000 0.480867 0.105867 P\n0.375000 0.769133 0.894133 P\n0.230867 0.125000 0.605867 P\n0.750000 0.250000 0.500000 P\n0.519133 0.625000 0.394133 P\n0.231264 0.092899 0.240499 O\n0.674852 0.341880 0.806800 O\n0.075148 0.381948 0.167028 O\n0.618052 0.785080 0.693200 O\n0.278748 0.559855 0.715721 O\n0.471252 0.686974 0.781108 O\n0.905866 0.690145 0.218892 O\n0.844134 0.563026 0.284279 O\n0.091880 0.924852 0.306800 O\n0.907101 0.147600 0.138365 O\n0.440145 0.155866 0.718892 O\n0.214920 0.908120 0.832972 O\n0.535080 0.868052 0.193200 O\n0.313026 0.094134 0.784279 O\n0.740766 0.102400 0.259501 O\n0.897600 0.157101 0.638365 O\n0.852400 0.990766 0.759501 O\n0.131948 0.325148 0.667028 O\n0.658120 0.464920 0.332972 O\n0.518736 0.259234 0.361635 O\n0.842899 0.481264 0.740499 O\n0.309855 0.528748 0.215721 O\n0.436974 0.721252 0.281108 O\n0.009234 0.768736 0.861635 O\n","nsites":40,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":3.6816277031167517,"density_atomic":0.08871360059675835,"volume":450.8891503774859,"volume_molar":6.788294826825068,"formula_full":"Li2 Cr8 P6 O24","formula_reduced":"LiCr4(PO4)3","formula_anonymous":"AB3C4D12","energy":-328.75029166,"energy_per_atom":-8.218757291500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-296.27029166,"band_gap":0.9102000000000006,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":31.9991225,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.979000Z","spacegroup":122},{"id":"mp-1179112","created_at":"2022-09-04T14:48:13.549866Z","structure_string":"Sr4 Ru4 O12\n1.0\n5.199519 0.000000 0.000000\n0.000000 5.210166 0.000000\n0.000000 0.000000 14.282888\nSr Ru O\n4 4 12\ndirect\n0.499647 0.519483 0.250000 Sr\n0.000353 0.019483 0.250000 Sr\n0.500353 0.480517 0.750000 Sr\n0.999647 0.980517 0.750000 Sr\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.502121 0.018724 0.250000 O\n0.997879 0.518724 0.250000 O\n0.497879 0.981276 0.750000 O\n0.002121 0.481276 0.750000 O\n0.250806 0.750250 0.008741 O\n0.249194 0.250250 0.491259 O\n0.749194 0.249750 0.508741 O\n0.750806 0.749750 0.991259 O\n0.749194 0.249750 0.991259 O\n0.750806 0.749750 0.508741 O\n0.250806 0.750250 0.491259 O\n0.249194 0.250250 0.008741 O\n","nsites":20,"nelements":3,"elements":["Sr","Ru","O"],"chemical_system":"O-Ru-Sr","density":4.0630758979354615,"density_atomic":0.051689131491106245,"volume":386.9285364843332,"volume_molar":11.650690553847252,"formula_full":"Sr4 Ru4 O12","formula_reduced":"SrRuO3","formula_anonymous":"ABC3","energy":-137.12240101,"energy_per_atom":-6.8561200505,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.87840101,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2542997,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.952000Z","spacegroup":62},{"id":"mp-998917","created_at":"2022-09-04T14:48:31.063325Z","structure_string":"K6 O6\n1.0\n3.571875 -6.186669 0.000000\n3.571875 6.186669 0.000000\n0.000000 0.000000 5.122959\nK O\n6 6\ndirect\n0.000000 0.705568 0.500000 K\n0.294432 0.294432 0.500000 K\n0.705568 0.000000 0.500000 K\n0.000000 0.368149 0.000000 K\n0.631851 0.631851 0.000000 K\n0.368149 0.000000 0.000000 K\n0.666667 0.333333 0.349271 O\n0.666667 0.333333 0.650729 O\n0.333333 0.666667 0.650729 O\n0.333333 0.666667 0.349271 O\n0.000000 0.000000 0.851107 O\n0.000000 0.000000 0.148893 O\n","nsites":12,"nelements":2,"elements":["K","O"],"chemical_system":"K-O","density":2.4245425431368535,"density_atomic":0.05300016689779891,"volume":226.4143813573228,"volume_molar":11.362493955184314,"formula_full":"K6 O6","formula_reduced":"KO","formula_anonymous":"AB","energy":-51.61378644,"energy_per_atom":-4.30114887,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.82378643999999,"band_gap":2.0834,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002554,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.922000Z","spacegroup":189},{"id":"mp-1213166","created_at":"2022-09-04T14:48:13.883225Z","structure_string":"Cs4 Sm4 Br12\n1.0\n8.012571 0.000000 0.000000\n0.000000 8.362195 0.000000\n0.000000 0.000000 11.650269\nCs Sm Br\n4 4 12\ndirect\n0.028939 0.445361 0.250000 Cs\n0.971061 0.554639 0.750000 Cs\n0.528939 0.054639 0.750000 Cs\n0.471061 0.945361 0.250000 Cs\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.500000 0.500000 0.500000 Sm\n0.284324 0.218404 0.024043 Br\n0.715676 0.781596 0.975957 Br\n0.784324 0.281596 0.975957 Br\n0.715676 0.781596 0.524043 Br\n0.215676 0.718404 0.024043 Br\n0.284324 0.218404 0.475957 Br\n0.215676 0.718404 0.475957 Br\n0.784324 0.281596 0.524043 Br\n0.551873 0.499889 0.250000 Br\n0.448127 0.500111 0.750000 Br\n0.051873 0.000111 0.750000 Br\n0.948127 0.999889 0.250000 Br\n","nsites":20,"nelements":3,"elements":["Cs","Sm","Br"],"chemical_system":"Br-Cs-Sm","density":4.450040041123995,"density_atomic":0.02562134125207968,"volume":780.5992591576994,"volume_molar":23.504393078996923,"formula_full":"Cs4 Sm4 Br12","formula_reduced":"CsSmBr3","formula_anonymous":"ABC3","energy":-81.29361724999998,"energy_per_atom":-4.0646808624999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.88561725,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9245002,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.868000Z","spacegroup":62},{"id":"mp-554822","created_at":"2022-09-04T14:48:31.707980Z","structure_string":"Cs1 Sb1 P2 O8\n1.0\n2.457177 -4.255956 0.000000\n2.457177 4.255956 0.000000\n0.000000 0.000000 9.387083\nCs Sb P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.000000 0.500000 Sb\n0.333333 0.666667 0.687578 P\n0.666667 0.333333 0.312422 P\n0.666667 0.333333 0.153460 O\n0.649937 0.943852 0.626472 O\n0.293916 0.350063 0.626472 O\n0.333333 0.666667 0.846540 O\n0.706084 0.649937 0.373528 O\n0.350063 0.056148 0.373528 O\n0.943852 0.293916 0.373528 O\n0.056148 0.706084 0.626472 O\n","nsites":12,"nelements":4,"elements":["Cs","Sb","P","O"],"chemical_system":"Cs-O-P-Sb","density":3.760385052430832,"density_atomic":0.061120517344128156,"volume":196.3334166894587,"volume_molar":9.852895593297113,"formula_full":"Cs1 Sb1 P2 O8","formula_reduced":"CsSb(PO4)2","formula_anonymous":"ABC2D8","energy":-85.08187581,"energy_per_atom":-7.0901563175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.58587581,"band_gap":2.958,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.35e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:39:58.826000Z","spacegroup":147},{"id":"mp-1245717","created_at":"2022-09-04T14:48:30.898993Z","structure_string":"In6 Pb6 N10\n1.0\n6.246986 0.509833 0.757467\n-0.146507 6.961767 0.161848\n-1.489968 -2.617642 9.497626\nIn Pb N\n6 6 10\ndirect\n0.863249 0.308141 0.944280 In\n0.136751 0.691859 0.055720 In\n0.716354 0.961426 0.586073 In\n0.283646 0.038574 0.413927 In\n0.153336 0.914962 0.748524 In\n0.846664 0.085038 0.251476 In\n0.783361 0.420761 0.570625 Pb\n0.216639 0.579239 0.429375 Pb\n0.644166 0.811087 0.892023 Pb\n0.355834 0.188914 0.107977 Pb\n0.729413 0.643618 0.261199 Pb\n0.270587 0.356382 0.738801 Pb\n0.920975 0.188428 0.724108 N\n0.079025 0.811572 0.275892 N\n0.958397 0.716461 0.596300 N\n0.041603 0.283539 0.403700 N\n0.786575 0.621943 0.031629 N\n0.213425 0.378057 0.968371 N\n0.381003 0.026431 0.631889 N\n0.618997 0.973569 0.368111 N\n0.279222 0.885601 0.949157 N\n0.720778 0.114399 0.050843 N\n","nsites":22,"nelements":3,"elements":["In","Pb","N"],"chemical_system":"In-N-Pb","density":8.107116778711887,"density_atomic":0.05183386370131474,"volume":424.43295616108935,"volume_molar":11.618159114477224,"formula_full":"In6 Pb6 N10","formula_reduced":"In3Pb3N5","formula_anonymous":"A3B3C5","energy":-116.52504083,"energy_per_atom":-5.296592765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.91504083,"band_gap":1.0802999999999994,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0033084,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.816000Z","spacegroup":2},{"id":"mp-3043","created_at":"2022-09-04T14:48:15.579626Z","structure_string":"Sr1 Mo6 S8\n1.0\n4.716639 -4.644247 0.000000\n4.716639 4.644247 0.000000\n0.143674 0.000000 6.617784\nSr Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.228606 0.417284 0.562137 Mo\n0.562137 0.228606 0.417284 Mo\n0.417284 0.562137 0.228606 Mo\n0.582716 0.437863 0.771394 Mo\n0.437863 0.771394 0.582716 Mo\n0.771394 0.582716 0.437863 Mo\n0.245315 0.245315 0.245315 S\n0.126310 0.739654 0.384298 S\n0.739654 0.384298 0.126310 S\n0.384298 0.126310 0.739654 S\n0.873690 0.260346 0.615702 S\n0.260346 0.615702 0.873690 S\n0.754685 0.754685 0.754685 S\n0.615702 0.873690 0.260346 S\n","nsites":15,"nelements":3,"elements":["Sr","Mo","S"],"chemical_system":"Mo-S-Sr","density":5.267960729433565,"density_atomic":0.051736938792588144,"volume":289.92824759374645,"volume_molar":11.639924782064481,"formula_full":"Sr1 Mo6 S8","formula_reduced":"Sr(Mo3S4)2","formula_anonymous":"AB6C8","energy":-117.26267087,"energy_per_atom":-7.8175113913333325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.23867087,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0138956,"is_theoretical":false,"updated_at":"2021-11-28T01:39:58.775000Z","spacegroup":148},{"id":"mp-1018682","created_at":"2022-09-04T14:48:31.630084Z","structure_string":"Dy2 Zn2 Ga2\n1.0\n2.208795 -3.825745 0.000000\n2.208795 3.825745 0.000000\n0.000000 0.000000 7.174843\nDy Zn Ga\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.250000 Ga\n0.666667 0.333333 0.750000 Ga\n","nsites":6,"nelements":3,"elements":["Dy","Zn","Ga"],"chemical_system":"Dy-Ga-Zn","density":8.151638053698239,"density_atomic":0.04948088088737885,"volume":121.25895684145809,"volume_molar":12.170641775167093,"formula_full":"Dy2 Zn2 Ga2","formula_reduced":"DyZnGa","formula_anonymous":"ABC","energy":-21.20164481,"energy_per_atom":-3.5336074683333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.20164481,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015286,"is_theoretical":false,"updated_at":"2021-11-28T01:39:58.736000Z","spacegroup":194},{"id":"mp-1192895","created_at":"2022-09-04T14:48:31.230983Z","structure_string":"Ba2 Dy2 Fe8 O14\n1.0\n9.378381 0.000000 0.000000\n0.000000 6.294662 0.000000\n0.000000 0.171337 6.446422\nBa Dy Fe O\n2 2 8 14\ndirect\n0.001565 0.761590 0.729028 Ba\n0.501565 0.238410 0.270972 Ba\n0.751944 0.254436 0.749320 Dy\n0.251944 0.745564 0.250680 Dy\n0.368468 0.005244 0.732208 Fe\n0.868468 0.994756 0.267792 Fe\n0.125186 0.272041 0.498255 Fe\n0.625186 0.727959 0.501745 Fe\n0.122465 0.230269 0.991941 Fe\n0.622465 0.769731 0.008059 Fe\n0.357452 0.480990 0.781576 Fe\n0.857452 0.519010 0.218424 Fe\n0.991338 0.228055 0.748389 O\n0.491338 0.771945 0.251611 O\n0.500506 0.236945 0.737008 O\n0.000506 0.763055 0.262992 O\n0.226801 0.540587 0.544396 O\n0.726801 0.459413 0.455604 O\n0.230797 0.949262 0.948599 O\n0.730797 0.050738 0.051401 O\n0.277629 0.441367 0.063239 O\n0.777629 0.558633 0.936761 O\n0.273482 0.031391 0.466716 O\n0.773482 0.968609 0.533284 O\n0.490368 0.754785 0.749386 O\n0.990368 0.245215 0.250614 O\n","nsites":26,"nelements":4,"elements":["Ba","Dy","Fe","O"],"chemical_system":"Ba-Dy-Fe-O","density":5.543352263179882,"density_atomic":0.06832101796382395,"volume":380.5563906229709,"volume_molar":8.814477505573366,"formula_full":"Ba2 Dy2 Fe8 O14","formula_reduced":"BaDyFe4O7","formula_anonymous":"ABC4D7","energy":-207.93510574,"energy_per_atom":-7.997504066923077,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.26910574,"band_gap":1.7414,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":33.9998851,"is_theoretical":false,"updated_at":"2021-11-28T01:39:58.712000Z","spacegroup":4}]}