{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=69","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=67","results":[{"id":"mp-1096148","created_at":"2022-09-04T14:47:28.760524Z","structure_string":"Ba2 Zn1 Hg1\n1.0\n-6.820881 6.854115 9.634875\n6.820881 -6.854115 9.634875\n6.820881 6.854115 -9.634875\nBa Zn Hg\n2 1 1\ndirect\n0.251619 0.000000 0.251619 Ba\n0.748381 0.000000 0.748381 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Ba","Zn","Hg"],"chemical_system":"Ba-Hg-Zn","density":0.49827578167068304,"density_atomic":0.0022200464220539637,"volume":1801.7641254092523,"volume_molar":271.2619294883202,"formula_full":"Ba2 Zn1 Hg1","formula_reduced":"Ba2ZnHg","formula_anonymous":"ABC2","energy":-1.21157118,"energy_per_atom":-0.302892795,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.21157118,"band_gap":0.0318,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.9997771,"is_theoretical":true,"updated_at":"2021-11-28T01:38:09.681000Z","spacegroup":71},{"id":"mp-1093557","created_at":"2022-09-04T14:48:23.083296Z","structure_string":"Y1 Zn1 Ag2\n1.0\n-5.619087 6.190822 8.858362\n5.619087 -6.190822 8.858362\n5.619087 6.190822 -8.858362\nY Zn Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.242269 0.242269 Ag\n0.000000 0.757731 0.757731 Ag\n","nsites":4,"nelements":3,"elements":["Y","Zn","Ag"],"chemical_system":"Ag-Y-Zn","density":0.4985210306662711,"density_atomic":0.0032451330128246236,"volume":1232.6151144474434,"volume_molar":185.57454305265037,"formula_full":"Y1 Zn1 Ag2","formula_reduced":"YZnAg2","formula_anonymous":"ABC2","energy":-7.37672819,"energy_per_atom":-1.8441820475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.37672819,"band_gap":0.0700000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999657,"is_theoretical":true,"updated_at":"2021-11-28T01:39:43.617000Z","spacegroup":71},{"id":"mp-1095857","created_at":"2022-09-04T14:46:04.234878Z","structure_string":"Sc2 Ag1 Pd1\n1.0\n-5.175658 5.856797 8.356656\n5.175658 -5.856797 8.356656\n5.175658 5.856797 -8.356656\nSc Ag Pd\n2 1 1\ndirect\n0.000000 0.227409 0.227409 Sc\n0.000000 0.772591 0.772591 Sc\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Sc","Ag","Pd"],"chemical_system":"Ag-Pd-Sc","density":0.498528605110341,"density_atomic":0.003947678102613731,"volume":1013.253840872088,"volume_molar":152.54893138355888,"formula_full":"Sc2 Ag1 Pd1","formula_reduced":"Sc2AgPd","formula_anonymous":"ABC2","energy":-13.7171912,"energy_per_atom":-3.4292978,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.7171912,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.999963,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.167000Z","spacegroup":71},{"id":"mp-1095898","created_at":"2022-09-04T14:40:13.976418Z","structure_string":"Sc2 Ge1 Pd1\n1.0\n-4.997997 5.621156 7.970599\n4.997997 -5.621156 7.970599\n4.997997 5.621156 -7.970599\nSc Ge Pd\n2 1 1\ndirect\n0.000000 0.249376 0.249376 Sc\n0.000000 0.750624 0.750624 Sc\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Pd\n","nsites":4,"nelements":3,"elements":["Sc","Ge","Pd"],"chemical_system":"Ge-Pd-Sc","density":0.49863562637724995,"density_atomic":0.00446567805709239,"volume":895.7206383579758,"volume_molar":134.85389414571964,"formula_full":"Sc2 Ge1 Pd1","formula_reduced":"Sc2GePd","formula_anonymous":"ABC2","energy":-16.09454266,"energy_per_atom":-4.023635665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.09454266,"band_gap":0.8393999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":4.1e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.978000Z","spacegroup":71},{"id":"mp-1208775","created_at":"2022-09-04T14:43:16.163559Z","structure_string":"Tb2 Ga12\n1.0\n14.555498 0.000000 0.000000\n0.000000 14.555498 0.000000\n0.000000 0.000000 18.114393\nTb Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.000000 Tb\n0.874708 0.000000 0.350698 Ga\n0.125292 0.000000 0.350698 Ga\n0.000000 0.874708 0.350698 Ga\n0.000000 0.125292 0.649302 Ga\n0.125292 0.000000 0.649302 Ga\n0.000000 0.125292 0.350698 Ga\n0.000000 0.874708 0.649302 Ga\n0.874708 0.000000 0.649302 Ga\n0.000000 0.500000 0.157768 Ga\n0.500000 0.000000 0.157768 Ga\n0.500000 0.000000 0.842232 Ga\n0.000000 0.500000 0.842232 Ga\n","nsites":14,"nelements":2,"elements":["Tb","Ga"],"chemical_system":"Ga-Tb","density":0.49954561938150904,"density_atomic":0.0036479603735409733,"volume":3837.7609859864215,"volume_molar":165.0824061489044,"formula_full":"Tb2 Ga12","formula_reduced":"TbGa6","formula_anonymous":"AB6","energy":-23.29701445,"energy_per_atom":-1.6640724607142856,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.29701445,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.8234555,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.019000Z","spacegroup":123},{"id":"mp-1096116","created_at":"2022-09-04T14:47:02.873884Z","structure_string":"Li1 Ga2 Ag1\n1.0\n-5.280662 5.321147 7.507177\n5.280662 -5.321147 7.507177\n5.280662 5.321147 -7.507177\nLi Ga Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.257557 0.257557 Ga\n0.000000 0.742443 0.742443 Ga\n0.000000 0.500000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Li","Ga","Ag"],"chemical_system":"Ag-Ga-Li","density":0.5003670088625919,"density_atomic":0.004740560759539268,"volume":843.7820340032425,"volume_molar":127.03435448816583,"formula_full":"Li1 Ga2 Ag1","formula_reduced":"LiGa2Ag","formula_anonymous":"ABC2","energy":-6.24877137,"energy_per_atom":-1.5621928425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.24877137,"band_gap":0.0112,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001516,"is_theoretical":true,"updated_at":"2021-11-28T01:37:54.599000Z","spacegroup":71},{"id":"mp-1096091","created_at":"2022-09-04T14:41:32.168472Z","structure_string":"Y2 Al1 Ru1\n1.0\n-5.283292 5.826510 8.237526\n5.283292 -5.826510 8.237526\n5.283292 5.826510 -8.237526\nY Al Ru\n2 1 1\ndirect\n0.000000 0.278178 0.278178 Y\n0.000000 0.721822 0.721822 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ru\n","nsites":4,"nelements":3,"elements":["Y","Al","Ru"],"chemical_system":"Al-Ru-Y","density":0.5007333070383341,"density_atomic":0.003943574877516822,"volume":1014.308114904796,"volume_molar":152.70765604917338,"formula_full":"Y2 Al1 Ru1","formula_reduced":"Y2AlRu","formula_anonymous":"ABC2","energy":-16.68091226,"energy_per_atom":-4.170228065,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.68091226,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.9710345,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.638000Z","spacegroup":71},{"id":"mp-1093568","created_at":"2022-09-04T14:41:22.581963Z","structure_string":"Y1 Zn2 Pd1\n1.0\n-5.486125 5.871096 8.384230\n5.486125 -5.871096 8.384230\n5.486125 5.871096 -8.384230\nY Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.280268 0.280268 Zn\n0.000000 0.719732 0.719732 Zn\n0.000000 0.500000 0.500000 Pd\n","nsites":4,"nelements":3,"elements":["Y","Zn","Pd"],"chemical_system":"Pd-Y-Zn","density":0.501360639625841,"density_atomic":0.003702984857011826,"volume":1080.2096563872676,"volume_molar":162.62936502688396,"formula_full":"Y1 Zn2 Pd1","formula_reduced":"YZn2Pd","formula_anonymous":"ABC2","energy":-7.45954186,"energy_per_atom":-1.864885465,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.45954186,"band_gap":0.1017999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000467,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.430000Z","spacegroup":71},{"id":"mp-1093719","created_at":"2022-09-04T14:41:13.730160Z","structure_string":"Mg1 Be2 Pt1\n1.0\n-4.564377 5.524395 7.794251\n4.564377 -5.524395 7.794251\n4.564377 5.524395 -7.794251\nMg Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.274276 0.274276 Be\n0.000000 0.725724 0.725724 Be\n0.000000 0.500000 0.500000 Pt\n","nsites":4,"nelements":3,"elements":["Mg","Be","Pt"],"chemical_system":"Be-Mg-Pt","density":0.5014800363964436,"density_atomic":0.0050881438477961135,"volume":786.1412962474649,"volume_molar":118.35633858127734,"formula_full":"Mg1 Be2 Pt1","formula_reduced":"MgBe2Pt","formula_anonymous":"ABC2","energy":-8.13168232,"energy_per_atom":-2.03292058,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.13168232,"band_gap":1.1192000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.73e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.051000Z","spacegroup":71},{"id":"mp-1096236","created_at":"2022-09-04T14:41:22.901171Z","structure_string":"Ba2 Ga1 Hg1\n1.0\n-6.824689 6.919959 9.552362\n6.824689 -6.919959 9.552362\n6.824689 6.919959 -9.552362\nBa Ga Hg\n2 1 1\ndirect\n0.231248 0.000000 0.231248 Ba\n0.768752 0.000000 0.768752 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Ba","Ga","Hg"],"chemical_system":"Ba-Ga-Hg","density":0.5014898550690652,"density_atomic":0.0022166791735878113,"volume":1804.5010968031927,"volume_molar":271.6739901630803,"formula_full":"Ba2 Ga1 Hg1","formula_reduced":"Ba2GaHg","formula_anonymous":"ABC2","energy":-3.2186426,"energy_per_atom":-0.80466065,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.2186426,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.6378864,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.568000Z","spacegroup":71},{"id":"mp-1093874","created_at":"2022-09-04T14:39:25.058330Z","structure_string":"Cs2 Hg1 Se1\n1.0\n-6.697850 7.178748 9.387621\n6.697850 -7.178748 9.387621\n6.697850 7.178748 -9.387621\nCs Hg Se\n2 1 1\ndirect\n0.786125 0.000000 0.786125 Cs\n0.213875 0.000000 0.213875 Cs\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Se\n","nsites":4,"nelements":3,"elements":["Cs","Hg","Se"],"chemical_system":"Cs-Hg-Se","density":0.5015721724843325,"density_atomic":0.002215441704014194,"volume":1805.509029080899,"volume_molar":271.8257379144027,"formula_full":"Cs2 Hg1 Se1","formula_reduced":"Cs2HgSe","formula_anonymous":"ABC2","energy":-6.833578360000001,"energy_per_atom":-1.7083945900000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.36157836,"band_gap":0.8032000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002071,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.720000Z","spacegroup":71},{"id":"mp-1214268","created_at":"2022-09-04T14:45:42.717154Z","structure_string":"Ca2 Mn1 Si2\n1.0\n6.675490 0.000000 0.000000\n0.000000 6.675490 0.000000\n0.000000 0.000000 14.205459\nCa Mn Si\n2 1 2\ndirect\n0.500000 0.500000 0.633490 Ca\n0.500000 0.500000 0.366510 Ca\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.161603 Si\n0.500000 0.500000 0.838397 Si\n","nsites":5,"nelements":3,"elements":["Ca","Mn","Si"],"chemical_system":"Ca-Mn-Si","density":0.5017219876475556,"density_atomic":0.007898569320506805,"volume":633.0260325776542,"volume_molar":76.24343745853957,"formula_full":"Ca2 Mn1 Si2","formula_reduced":"Ca2MnSi2","formula_anonymous":"AB2C2","energy":-14.72568459,"energy_per_atom":-2.945136918,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.86768459,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.8647765,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.082000Z","spacegroup":123}]}