{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=108","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=106","results":[{"id":"mp-1097358","created_at":"2022-09-04T14:40:40.693068Z","structure_string":"Mg1 Zn2 Pd1\n1.0\n-5.295738 5.593849 7.899852\n5.295738 -5.593849 7.899852\n5.295738 5.593849 -7.899852\nMg Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.271258 0.271258 Zn\n0.000000 0.728742 0.728742 Zn\n0.000000 0.500000 0.500000 Pd\n","nsites":4,"nelements":3,"elements":["Mg","Zn","Pd"],"chemical_system":"Mg-Pd-Zn","density":0.46395517405662096,"density_atomic":0.004273107466787212,"volume":936.0869182649996,"volume_molar":140.93117963466108,"formula_full":"Mg1 Zn2 Pd1","formula_reduced":"MgZn2Pd","formula_anonymous":"ABC2","energy":-4.88922279,"energy_per_atom":-1.2223056975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.88922279,"band_gap":0.6639999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.08e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.907000Z","spacegroup":71},{"id":"mp-1096303","created_at":"2022-09-04T14:39:44.885388Z","structure_string":"Mg2 Zn1 Ga1\n1.0\n-5.327614 5.571841 7.876203\n5.327614 -5.571841 7.876203\n5.327614 5.571841 -7.876203\nMg Zn Ga\n2 1 1\ndirect\n0.000000 0.252483 0.252483 Mg\n0.000000 0.747517 0.747517 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n","nsites":4,"nelements":3,"elements":["Mg","Zn","Ga"],"chemical_system":"Ga-Mg-Zn","density":0.3262489917037634,"density_atomic":0.004277121946048481,"volume":935.2083130796618,"volume_molar":140.79890253219682,"formula_full":"Mg2 Zn1 Ga1","formula_reduced":"Mg2ZnGa","formula_anonymous":"ABC2","energy":-2.48907358,"energy_per_atom":-0.622268395,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.48907358,"band_gap":0.0707999999999997,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.9999346,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.439000Z","spacegroup":71},{"id":"mp-1096143","created_at":"2022-09-04T14:40:41.908990Z","structure_string":"Ta1 Tc2 Sn1\n1.0\n-4.828490 5.864109 8.249812\n4.828490 -5.864109 8.249812\n4.828490 5.864109 -8.249812\nTa Tc Sn\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.269967 0.269967 Tc\n0.000000 0.730033 0.730033 Tc\n0.000000 0.000000 0.000000 Sn\n","nsites":4,"nelements":3,"elements":["Ta","Tc","Sn"],"chemical_system":"Sn-Ta-Tc","density":0.8808738120971263,"density_atomic":0.004280973876642407,"volume":934.3668322351978,"volume_molar":140.67221462989167,"formula_full":"Ta1 Tc2 Sn1","formula_reduced":"TaTc2Sn","formula_anonymous":"ABC2","energy":-22.76754991,"energy_per_atom":-5.6918874775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.76754991,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0013686,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.394000Z","spacegroup":71},{"id":"mp-1097421","created_at":"2022-09-04T14:40:07.764644Z","structure_string":"Sc1 Ga2 Ir1\n1.0\n-5.156374 5.700587 7.946542\n5.156374 -5.700587 7.946542\n5.156374 5.700587 -7.946542\nSc Ga Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.270357 0.270357 Ga\n0.000000 0.729643 0.729643 Ga\n0.000000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Sc","Ga","Ir"],"chemical_system":"Ga-Ir-Sc","density":0.6693435141106767,"density_atomic":0.004281124215196636,"volume":934.33402044287,"volume_molar":140.66727469909202,"formula_full":"Sc1 Ga2 Ir1","formula_reduced":"ScGa2Ir","formula_anonymous":"ABC2","energy":-12.66218409,"energy_per_atom":-3.1655460225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.66218409,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.646828,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.773000Z","spacegroup":71},{"id":"mp-1097273","created_at":"2022-09-04T14:39:27.578603Z","structure_string":"Mg2 Zn1 Ir1\n1.0\n-5.268767 5.592930 7.919557\n5.268767 -5.592930 7.919557\n5.268767 5.592930 -7.919557\nMg Zn Ir\n2 1 1\ndirect\n0.000000 0.261691 0.261691 Mg\n0.000000 0.738309 0.738309 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Mg","Zn","Ir"],"chemical_system":"Ir-Mg-Zn","density":0.5447485508383524,"density_atomic":0.004284999089706322,"volume":933.4891131270102,"volume_molar":140.54007092946048,"formula_full":"Mg2 Zn1 Ir1","formula_reduced":"Mg2ZnIr","formula_anonymous":"ABC2","energy":-6.05601468,"energy_per_atom":-1.51400367,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.05601468,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5614196,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.916000Z","spacegroup":71},{"id":"mp-1097261","created_at":"2022-09-04T14:41:36.892481Z","structure_string":"Y1 Hf1 Rh2\n1.0\n-4.869637 5.864604 8.169263\n4.869637 -5.864604 8.169263\n4.869637 5.864604 -8.169263\nY Hf Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Hf\n0.000000 0.264238 0.264238 Rh\n0.000000 0.735762 0.735762 Rh\n","nsites":4,"nelements":3,"elements":["Y","Hf","Rh"],"chemical_system":"Hf-Rh-Y","density":0.8420191526851866,"density_atomic":0.004286292864812478,"volume":933.2073486712152,"volume_molar":140.49765029911143,"formula_full":"Y1 Hf1 Rh2","formula_reduced":"YHfRh2","formula_anonymous":"ABC2","energy":-22.70162754,"energy_per_atom":-5.675406885,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.70162754,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.4466627,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.167000Z","spacegroup":71},{"id":"mp-1097075","created_at":"2022-09-04T14:40:58.345579Z","structure_string":"Sc1 Tl1 Cu2\n1.0\n-5.376190 5.480958 7.913708\n5.376190 -5.480958 7.913708\n5.376190 5.480958 -7.913708\nSc Tl Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.245176 0.245176 Cu\n0.000000 0.754824 0.754824 Cu\n","nsites":4,"nelements":3,"elements":["Sc","Tl","Cu"],"chemical_system":"Cu-Sc-Tl","density":0.6701370471313226,"density_atomic":0.0042883368849979606,"volume":932.7625387812559,"volume_molar":140.43068260489204,"formula_full":"Sc1 Tl1 Cu2","formula_reduced":"ScTlCu2","formula_anonymous":"ABC2","energy":-9.86428897,"energy_per_atom":-2.4660722425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.86428897,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2463398,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.569000Z","spacegroup":71},{"id":"mp-1093827","created_at":"2022-09-04T14:46:24.556704Z","structure_string":"Li1 Zr2 Ru1\n1.0\n-5.240927 5.627969 7.904926\n5.240927 -5.627969 7.904926\n5.240927 5.627969 -7.904926\nLi Zr Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.288173 0.288173 Zr\n0.000000 0.711827 0.711827 Zr\n0.000000 0.500000 0.500000 Ru\n","nsites":4,"nelements":3,"elements":["Li","Zr","Ru"],"chemical_system":"Li-Ru-Zr","density":0.5171497607480341,"density_atomic":0.004288865078102225,"volume":932.6476648619487,"volume_molar":140.413387932099,"formula_full":"Li1 Zr2 Ru1","formula_reduced":"LiZr2Ru","formula_anonymous":"ABC2","energy":-16.63680719,"energy_per_atom":-4.1592017975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.63680719,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999514,"is_theoretical":true,"updated_at":"2021-11-28T01:37:37.370000Z","spacegroup":71},{"id":"mp-1097527","created_at":"2022-09-04T14:43:08.191730Z","structure_string":"Hf2 Fe1 Re1\n1.0\n-4.756743 5.892523 8.312963\n4.756743 -5.892523 8.312963\n4.756743 5.892523 -8.312963\nHf Fe Re\n2 1 1\ndirect\n0.000000 0.252154 0.252154 Hf\n0.000000 0.747846 0.747846 Hf\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Re\n","nsites":4,"nelements":3,"elements":["Hf","Fe","Re"],"chemical_system":"Fe-Hf-Re","density":1.0672650982156247,"density_atomic":0.004291737771545311,"volume":932.0233930694545,"volume_molar":140.3194016169266,"formula_full":"Hf2 Fe1 Re1","formula_reduced":"Hf2FeRe","formula_anonymous":"ABC2","energy":-25.09156107,"energy_per_atom":-6.2728902675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.09156107,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.317904,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.808000Z","spacegroup":71},{"id":"mp-1096329","created_at":"2022-09-04T14:41:11.272961Z","structure_string":"Ag2 Pd1 Au1\n1.0\n-5.298592 5.582214 7.875646\n5.298592 -5.582214 7.875646\n5.298592 5.582214 -7.875646\nAg Pd Au\n2 1 1\ndirect\n0.000000 0.251149 0.251149 Ag\n0.000000 0.748851 0.748851 Ag\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Ag","Pd","Au"],"chemical_system":"Ag-Au-Pd","density":0.9251373251805958,"density_atomic":0.004292861251911021,"volume":931.7794741722319,"volume_molar":140.2826787685991,"formula_full":"Ag2 Pd1 Au1","formula_reduced":"Ag2PdAu","formula_anonymous":"ABC2","energy":-7.34292507,"energy_per_atom":-1.8357312675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.34292507,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8189102,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.909000Z","spacegroup":71},{"id":"mp-1096071","created_at":"2022-09-04T14:43:19.302666Z","structure_string":"Hf2 Tc1 Pt1\n1.0\n-4.843911 5.912833 8.126666\n4.843911 -5.912833 8.126666\n4.843911 5.912833 -8.126666\nHf Tc Pt\n2 1 1\ndirect\n0.000000 0.235705 0.235705 Hf\n0.000000 0.764295 0.764295 Hf\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Pt\n","nsites":4,"nelements":3,"elements":["Hf","Tc","Pt"],"chemical_system":"Hf-Pt-Tc","density":1.1594206814377086,"density_atomic":0.004296312083786148,"volume":931.0310615226485,"volume_molar":140.17000261054025,"formula_full":"Hf2 Tc1 Pt1","formula_reduced":"Hf2TcPt","formula_anonymous":"ABC2","energy":-24.57787587,"energy_per_atom":-6.1444689675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.57787587,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002702,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.478000Z","spacegroup":71},{"id":"mp-1097157","created_at":"2022-09-04T14:46:29.133575Z","structure_string":"Zr2 Zn1 Tc1\n1.0\n-5.215415 5.586312 7.985717\n5.215415 -5.586312 7.985717\n5.215415 5.586312 -7.985717\nZr Zn Tc\n2 1 1\ndirect\n0.000000 0.284311 0.284311 Zr\n0.000000 0.715689 0.715689 Zr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Tc\n","nsites":4,"nelements":3,"elements":["Zr","Zn","Tc"],"chemical_system":"Tc-Zn-Zr","density":0.6171030618261684,"density_atomic":0.004298055558254928,"volume":930.653395654117,"volume_molar":140.11314368502664,"formula_full":"Zr2 Zn1 Tc1","formula_reduced":"Zr2ZnTc","formula_anonymous":"ABC2","energy":-16.84171707,"energy_per_atom":-4.2104292675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.84171707,"band_gap":0.3535999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.5258766,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.116000Z","spacegroup":71}]}