{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=10180","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=10178","results":[{"id":"mp-961672","created_at":"2022-09-04T14:40:44.152225Z","structure_string":"Sr1 Al1 Ga1\n1.0\n0.000000 3.632300 3.632300\n3.632300 0.000000 3.632300\n3.632300 3.632300 0.000000\nSr Al Ga\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Ga\n","nsites":3,"nelements":3,"elements":["Sr","Al","Ga"],"chemical_system":"Al-Ga-Sr","density":3.1934279724834043,"density_atomic":0.03130012896263784,"volume":95.84625046053398,"volume_molar":19.239987053051685,"formula_full":"Sr1 Al1 Ga1","formula_reduced":"SrAlGa","formula_anonymous":"ABC","energy":-7.2276844,"energy_per_atom":-2.4092281333333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.2276844,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.365000Z","spacegroup":216},{"id":"mp-753483","created_at":"2022-09-04T14:40:44.166523Z","structure_string":"Co6 Ni2 O16\n1.0\n-2.803121 1.616159 4.576230\n-5.637344 3.274364 -4.609875\n-2.818215 -4.898470 0.008539\nCo Ni O\n6 2 16\ndirect\n0.250135 0.250386 0.749688 Co\n0.749877 0.749608 0.250316 Co\n0.499929 0.000028 0.999988 Co\n0.000029 0.499980 0.500021 Co\n0.749853 0.250444 0.749813 Co\n0.250161 0.749570 0.250188 Co\n0.500076 0.999974 0.499917 Ni\n0.999967 0.499986 0.000052 Ni\n0.500180 0.764208 0.029305 O\n0.999734 0.264535 0.526434 O\n0.499681 0.235844 0.970664 O\n0.000407 0.735427 0.473599 O\n0.999979 0.734996 0.027677 O\n0.500123 0.234948 0.526807 O\n0.221210 0.514104 0.248636 O\n0.723294 0.014561 0.749793 O\n0.778571 0.513907 0.248948 O\n0.276635 0.014867 0.749785 O\n0.221403 0.486037 0.751217 O\n0.723378 0.985174 0.250021 O\n0.778812 0.485876 0.751380 O\n0.276663 0.985485 0.250222 O\n0.999862 0.265001 0.972412 O\n0.500041 0.765054 0.473114 O\n","nsites":24,"nelements":3,"elements":["Co","Ni","O"],"chemical_system":"Co-Ni-O","density":4.773459062084095,"density_atomic":0.0949019316066149,"volume":252.8926397355556,"volume_molar":6.345646140231188,"formula_full":"Co6 Ni2 O16","formula_reduced":"Co3NiO8","formula_anonymous":"AB3C8","energy":-155.79726153,"energy_per_atom":-6.491552563749999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-129.89526153,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9959668,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.977000Z","spacegroup":166},{"id":"mp-1377102","created_at":"2022-09-04T14:40:44.183009Z","structure_string":"Sc2 Mo6 O16\n1.0\n2.930519 -5.075808 0.000000\n2.930519 5.075808 0.000000\n0.000000 0.000000 10.213136\nSc Mo O\n2 6 16\ndirect\n0.666667 0.333333 0.006351 Sc\n0.333333 0.666667 0.506351 Sc\n0.302290 0.151145 0.750901 Mo\n0.151145 0.848855 0.250901 Mo\n0.848855 0.697710 0.750901 Mo\n0.151145 0.302290 0.250901 Mo\n0.697710 0.848855 0.250901 Mo\n0.848855 0.151145 0.750901 Mo\n0.831388 0.168612 0.136063 O\n0.662776 0.831388 0.636063 O\n0.168612 0.337224 0.636063 O\n0.831388 0.662776 0.136063 O\n0.337224 0.168612 0.136063 O\n0.168612 0.831388 0.636063 O\n0.515682 0.484318 0.860597 O\n0.031364 0.515682 0.360597 O\n0.484318 0.968636 0.360597 O\n0.515682 0.031364 0.860597 O\n0.000000 0.000000 0.388535 O\n0.000000 0.000000 0.888535 O\n0.333333 0.666667 0.154439 O\n0.666667 0.333333 0.654439 O\n0.484318 0.515682 0.360597 O\n0.968636 0.484318 0.860597 O\n","nsites":24,"nelements":3,"elements":["Sc","Mo","O"],"chemical_system":"Mo-O-Sc","density":5.036461265517997,"density_atomic":0.07899005270205031,"volume":303.8357258796593,"volume_molar":7.623922954850347,"formula_full":"Sc2 Mo6 O16","formula_reduced":"ScMo3O8","formula_anonymous":"AB3C8","energy":-208.41690882,"energy_per_atom":-8.6840378675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-178.21290882,"band_gap":0.0088000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0169233,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.335000Z","spacegroup":186},{"id":"mp-29754","created_at":"2022-09-04T14:40:44.239631Z","structure_string":"Sr2 Li2 N2\n1.0\n3.941535 0.000000 0.000000\n0.000000 3.941535 0.000000\n0.000000 0.000000 7.094926\nSr Li N\n2 2 2\ndirect\n0.000000 0.000000 0.750000 Sr\n0.000000 0.000000 0.250000 Sr\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n","nsites":6,"nelements":3,"elements":["Sr","Li","N"],"chemical_system":"Li-N-Sr","density":3.2711547178089724,"density_atomic":0.05443429537106723,"volume":110.22462877675282,"volume_molar":11.063137161872536,"formula_full":"Sr2 Li2 N2","formula_reduced":"SrLiN","formula_anonymous":"ABC","energy":-27.571360840000004,"energy_per_atom":-4.595226806666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.84936084,"band_gap":0.2494999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.463000Z","spacegroup":131},{"id":"mp-762856","created_at":"2022-09-04T14:40:44.125859Z","structure_string":"Li4 Fe2 P4 O16\n1.0\n2.364456 4.550892 0.000000\n-2.364456 4.550892 0.000000\n0.000000 2.004773 13.831671\nLi Fe P O\n4 2 4 16\ndirect\n0.679538 0.642062 0.339075 Li\n0.642062 0.679538 0.839075 Li\n0.960538 0.027155 0.744139 Li\n0.027155 0.960538 0.244139 Li\n0.021890 0.991287 0.508960 Fe\n0.991287 0.021890 0.008960 Fe\n0.670465 0.651258 0.116659 P\n0.651258 0.670465 0.616659 P\n0.350413 0.331959 0.386048 P\n0.331959 0.350413 0.886048 P\n0.842962 0.277979 0.126274 O\n0.783441 0.439811 0.534384 O\n0.793029 0.495839 0.712570 O\n0.938705 0.706875 0.087577 O\n0.706875 0.938705 0.587577 O\n0.495839 0.793029 0.212570 O\n0.439811 0.783441 0.034384 O\n0.705803 0.210037 0.362236 O\n0.277979 0.842962 0.626274 O\n0.558167 0.228183 0.969045 O\n0.533407 0.124786 0.804394 O\n0.334385 0.037125 0.416411 O\n0.037125 0.334385 0.916411 O\n0.124786 0.533407 0.304394 O\n0.228183 0.558167 0.469045 O\n0.210037 0.705803 0.862236 O\n","nsites":26,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.897130096362471,"density_atomic":0.08734558065099411,"volume":297.6681797318166,"volume_molar":6.894614146607611,"formula_full":"Li4 Fe2 P4 O16","formula_reduced":"Li2Fe(PO4)2","formula_anonymous":"AB2C2D8","energy":-187.05903978,"energy_per_atom":-7.1945784530769235,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-171.55503978,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.010449,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.828000Z","spacegroup":9},{"id":"mp-542615","created_at":"2022-09-04T14:40:44.127290Z","structure_string":"Bi3 Se4\n1.0\n13.391978 -2.163889 0.000000\n13.391978 2.163889 0.000000\n13.042335 0.000000 3.731621\nBi Se\n3 4\ndirect\n0.000000 0.000000 0.000000 Bi\n0.426089 0.426089 0.426089 Bi\n0.573911 0.573911 0.573911 Bi\n0.128035 0.128035 0.128035 Se\n0.871965 0.871965 0.871965 Se\n0.291517 0.291517 0.291517 Se\n0.708483 0.708483 0.708483 Se\n","nsites":7,"nelements":2,"elements":["Bi","Se"],"chemical_system":"Bi-Se","density":7.2385700343647965,"density_atomic":0.0323661326341563,"volume":216.27545308310422,"volume_molar":18.606303162846135,"formula_full":"Bi3 Se4","formula_reduced":"Bi3Se4","formula_anonymous":"A3B4","energy":-29.88983898,"energy_per_atom":-4.269976997142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.00183898,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019259,"is_theoretical":false,"updated_at":"2021-11-28T01:35:08.713000Z","spacegroup":166},{"id":"mp-867502","created_at":"2022-09-04T14:40:44.130311Z","structure_string":"Eu2 Pt1 Au1\n1.0\n0.000000 3.690372 3.690372\n3.690372 0.000000 3.690372\n3.690372 3.690372 0.000000\nEu Pt Au\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Eu\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Au\n","nsites":4,"nelements":3,"elements":["Eu","Pt","Au"],"chemical_system":"Au-Eu-Pt","density":11.497529408708841,"density_atomic":0.0397941796483173,"volume":100.51721219912471,"volume_molar":15.133220016647956,"formula_full":"Eu2 Pt1 Au1","formula_reduced":"Eu2PtAu","formula_anonymous":"ABC2","energy":-33.28294254,"energy_per_atom":-8.320735635,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.28294254,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.1625038,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.992000Z","spacegroup":225},{"id":"mp-1038840","created_at":"2022-09-04T14:40:44.137314Z","structure_string":"Ca4 Mg2\n1.0\n1.875340 -9.292453 0.000000\n1.875340 9.292453 0.000000\n0.000000 0.000000 5.988203\nCa Mg\n4 2\ndirect\n0.445678 0.554322 0.250000 Ca\n0.771061 0.228939 0.250000 Ca\n0.228939 0.771061 0.750000 Ca\n0.554322 0.445678 0.750000 Ca\n0.110687 0.889313 0.250000 Mg\n0.889313 0.110687 0.750000 Mg\n","nsites":6,"nelements":2,"elements":["Ca","Mg"],"chemical_system":"Ca-Mg","density":1.6622501155309786,"density_atomic":0.02874844442666592,"volume":208.7069446594,"volume_molar":20.947709972140615,"formula_full":"Ca4 Mg2","formula_reduced":"Ca2Mg","formula_anonymous":"AB2","energy":-11.26234124,"energy_per_atom":-1.8770568733333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.26234124,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.25e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.028000Z","spacegroup":63},{"id":"mp-1105044","created_at":"2022-09-04T14:40:44.142323Z","structure_string":"Nb6 Ni7\n1.0\n8.945024 -2.446440 0.000000\n8.945024 2.446440 0.000000\n8.275928 0.000000 4.184199\nNb Ni\n6 7\ndirect\n0.831361 0.831361 0.831361 Nb\n0.168639 0.168639 0.168639 Nb\n0.655464 0.655464 0.655464 Nb\n0.344536 0.344536 0.344536 Nb\n0.549297 0.549297 0.549297 Nb\n0.450703 0.450703 0.450703 Nb\n0.000000 0.000000 0.000000 Ni\n0.408847 0.909444 0.909444 Ni\n0.909444 0.909444 0.408847 Ni\n0.909444 0.408847 0.909444 Ni\n0.591153 0.090556 0.090556 Ni\n0.090556 0.090556 0.591153 Ni\n0.090556 0.591153 0.090556 Ni\n","nsites":13,"nelements":2,"elements":["Nb","Ni"],"chemical_system":"Nb-Ni","density":8.780051655116813,"density_atomic":0.07098800090887229,"volume":183.12954067671487,"volume_molar":8.483322086687098,"formula_full":"Nb6 Ni7","formula_reduced":"Nb6Ni7","formula_anonymous":"A6B7","energy":-103.80900912,"energy_per_atom":-7.985308393846154,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.80900912,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.035367,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.613000Z","spacegroup":166},{"id":"mp-13009","created_at":"2022-09-04T14:40:44.145318Z","structure_string":"Sm2 Cr2 Ge6\n1.0\n3.066670 -5.311629 0.000000\n3.066670 5.311629 0.000000\n0.000000 0.000000 5.713972\nSm Cr Ge\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Sm\n0.333333 0.666667 0.750000 Sm\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.192391 0.384783 0.250000 Ge\n0.807609 0.192391 0.750000 Ge\n0.384783 0.192391 0.750000 Ge\n0.615217 0.807609 0.250000 Ge\n0.192391 0.807609 0.250000 Ge\n0.807609 0.615217 0.750000 Ge\n","nsites":10,"nelements":3,"elements":["Sm","Cr","Ge"],"chemical_system":"Cr-Ge-Sm","density":7.498094420971967,"density_atomic":0.05372013784565472,"volume":186.14993186970895,"volume_molar":11.210210921837975,"formula_full":"Sm2 Cr2 Ge6","formula_reduced":"SmCrGe3","formula_anonymous":"ABC3","energy":-60.3225181,"energy_per_atom":-6.03225181,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-60.3225181,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.7664745,"is_theoretical":false,"updated_at":"2021-11-28T01:35:09.429000Z","spacegroup":194},{"id":"mp-1172870","created_at":"2022-09-04T14:40:44.146839Z","structure_string":"K2 Ho4 Cu4 S9\n1.0\n1.970107 6.863224 0.000000\n-1.970107 6.863224 0.000000\n0.000000 5.350885 14.920735\nK Ho Cu S\n2 4 4 9\ndirect\n0.970937 0.970937 0.769533 K\n0.029063 0.029063 0.230467 K\n0.654561 0.654561 0.945757 Ho\n0.233364 0.233364 0.395017 Ho\n0.345439 0.345439 0.054243 Ho\n0.766636 0.766636 0.604983 Ho\n0.754159 0.754159 0.228580 Cu\n0.567933 0.567933 0.541549 Cu\n0.245841 0.245841 0.771420 Cu\n0.432067 0.432067 0.458451 Cu\n0.350496 0.350496 0.221127 S\n0.649504 0.649504 0.778873 S\n0.389931 0.389931 0.627151 S\n0.610069 0.610069 0.372849 S\n0.700420 0.700420 0.102658 S\n0.138747 0.138747 0.575523 S\n0.000000 0.000000 0.000000 S\n0.299580 0.299580 0.897342 S\n0.861253 0.861253 0.424477 S\n","nsites":19,"nelements":4,"elements":["K","Ho","Cu","S"],"chemical_system":"Cu-Ho-K-S","density":5.27052475455642,"density_atomic":0.047088559014320866,"volume":403.49503993574325,"volume_molar":12.788968033972983,"formula_full":"K2 Ho4 Cu4 S9","formula_reduced":"K2Ho4Cu4S9","formula_anonymous":"A2B4C4D9","energy":-105.7081959,"energy_per_atom":-5.563589257894737,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.18119590000002,"band_gap":0.8687000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028977,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.626000Z","spacegroup":12},{"id":"mp-1225196","created_at":"2022-09-04T14:40:44.160099Z","structure_string":"Eu2 Zn2 Ga2\n1.0\n2.317913 5.380439 0.000000\n-2.317913 5.380439 0.000000\n0.000000 5.303230 5.440731\nEu Zn Ga\n2 2 2\ndirect\n0.455060 0.455060 0.297036 Eu\n0.544940 0.544940 0.702964 Eu\n0.835682 0.835682 0.723877 Zn\n0.164318 0.164318 0.276123 Zn\n0.162937 0.162937 0.895633 Ga\n0.837063 0.837063 0.104367 Ga\n","nsites":6,"nelements":3,"elements":["Eu","Zn","Ga"],"chemical_system":"Eu-Ga-Zn","density":7.02593522950617,"density_atomic":0.04421291582329698,"volume":135.70695097287472,"volume_molar":13.620772681151177,"formula_full":"Eu2 Zn2 Ga2","formula_reduced":"EuZnGa","formula_anonymous":"ABC","energy":-31.82229554,"energy_per_atom":-5.303715923333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.82229554,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0531834,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.901000Z","spacegroup":12}]}