{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=117","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=115","results":[{"id":"mp-1097504","created_at":"2022-09-04T14:47:29.081653Z","structure_string":"Mg1 Sn1 Ru2\n1.0\n-5.232381 5.405103 7.676169\n5.232381 -5.405103 7.676169\n5.232381 5.405103 -7.676169\nMg Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Sn\n0.000000 0.260484 0.260484 Ru\n0.000000 0.739516 0.739516 Ru\n","nsites":4,"nelements":3,"elements":["Mg","Sn","Ru"],"chemical_system":"Mg-Ru-Sn","density":0.6600174429662966,"density_atomic":0.004606299137456376,"volume":868.3760825417914,"volume_molar":130.73707504210117,"formula_full":"Mg1 Sn1 Ru2","formula_reduced":"MgSnRu2","formula_anonymous":"ABC2","energy":-13.1327318,"energy_per_atom":-3.28318295,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.1327318,"band_gap":0.0065999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9996781,"is_theoretical":true,"updated_at":"2021-11-28T01:38:09.009000Z","spacegroup":71},{"id":"mp-1093673","created_at":"2022-09-04T14:43:52.870720Z","structure_string":"Li1 Ca1 Au2\n1.0\n-5.359469 6.046168 8.549620\n5.359469 -6.046168 8.549620\n5.359469 6.046168 -8.549620\nLi Ca Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.239345 0.239345 Au\n0.000000 0.760655 0.760655 Au\n","nsites":4,"nelements":3,"elements":["Li","Ca","Au"],"chemical_system":"Au-Ca-Li","density":0.6607417858878887,"density_atomic":0.0036095346402477196,"volume":1108.17609433594,"volume_molar":166.83981067395175,"formula_full":"Li1 Ca1 Au2","formula_reduced":"LiCaAu2","formula_anonymous":"ABC2","energy":-8.38336089,"energy_per_atom":-2.0958402225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.38336089,"band_gap":0.0433999999999996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014741,"is_theoretical":true,"updated_at":"2021-11-28T01:36:28.076000Z","spacegroup":71},{"id":"mp-1093911","created_at":"2022-09-04T14:39:10.322912Z","structure_string":"Y1 Ge1 Pd2\n1.0\n-4.769249 5.910756 8.338449\n4.769249 -5.910756 8.338449\n4.769249 5.910756 -8.338449\nY Ge Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ge\n0.000000 0.248160 0.248160 Pd\n0.000000 0.751840 0.751840 Pd\n","nsites":4,"nelements":3,"elements":["Y","Ge","Pd"],"chemical_system":"Ge-Pd-Y","density":0.661196013333383,"density_atomic":0.004254237133823833,"volume":940.2390779295094,"volume_molar":141.55630188360288,"formula_full":"Y1 Ge1 Pd2","formula_reduced":"YGePd2","formula_anonymous":"ABC2","energy":-15.60506834,"energy_per_atom":-3.901267085,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.60506834,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0001773,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.711000Z","spacegroup":71},{"id":"mp-1095917","created_at":"2022-09-04T14:45:25.087344Z","structure_string":"Al1 Ga1 Pd2\n1.0\n-4.842540 5.327382 7.530402\n4.842540 -5.327382 7.530402\n4.842540 5.327382 -7.530402\nAl Ga Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ga\n0.000000 0.245987 0.245987 Pd\n0.000000 0.754013 0.754013 Pd\n","nsites":4,"nelements":3,"elements":["Al","Ga","Pd"],"chemical_system":"Al-Ga-Pd","density":0.6614652528685226,"density_atomic":0.00514748136732247,"volume":777.0790634412053,"volume_molar":116.99198754229771,"formula_full":"Al1 Ga1 Pd2","formula_reduced":"AlGaPd2","formula_anonymous":"ABC2","energy":-12.49603793,"energy_per_atom":-3.1240094825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.49603793,"band_gap":0.6435999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.01e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:00.013000Z","spacegroup":71},{"id":"mp-1093810","created_at":"2022-09-04T14:42:13.506624Z","structure_string":"Mn1 Al2 Ir1\n1.0\n-4.981722 5.170475 7.333085\n4.981722 -5.170475 7.333085\n4.981722 5.170475 -7.333085\nMn Al Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.264403 0.264403 Al\n0.000000 0.735597 0.735597 Al\n0.000000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Mn","Al","Ir"],"chemical_system":"Al-Ir-Mn","density":0.6618039416123703,"density_atomic":0.005294236645966718,"volume":755.5385728832691,"volume_molar":113.74899088781413,"formula_full":"Mn1 Al2 Ir1","formula_reduced":"MnAl2Ir","formula_anonymous":"ABC2","energy":-15.98822876,"energy_per_atom":-3.99705719,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.98822876,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.4135064,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.509000Z","spacegroup":71},{"id":"mp-1093695","created_at":"2022-09-04T14:47:13.958505Z","structure_string":"Si1 Tc2 P1\n1.0\n-4.526845 4.997008 7.070081\n4.526845 -4.997008 7.070081\n4.526845 4.997008 -7.070081\nSi Tc P\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.255414 0.255414 Tc\n0.000000 0.744586 0.744586 Tc\n0.000000 0.500000 0.500000 P\n","nsites":4,"nelements":3,"elements":["Si","Tc","P"],"chemical_system":"P-Si-Tc","density":0.6620642633062749,"density_atomic":0.006252733824931913,"volume":639.720178724153,"volume_molar":96.31212408223017,"formula_full":"Si1 Tc2 P1","formula_reduced":"SiTc2P","formula_anonymous":"ABC2","energy":-21.19376115,"energy_per_atom":-5.2984402875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.26476115,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.3322384,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.795000Z","spacegroup":71},{"id":"mp-1096611","created_at":"2022-09-04T14:47:01.407573Z","structure_string":"Zr1 Sc1 Pd2\n1.0\n-4.923546 5.452345 8.150736\n4.923546 -5.452345 8.150736\n4.923546 5.452345 -8.150736\nZr Sc Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.000000 0.237761 0.237761 Pd\n0.000000 0.762239 0.762239 Pd\n","nsites":4,"nelements":3,"elements":["Zr","Sc","Pd"],"chemical_system":"Pd-Sc-Zr","density":0.6621877708929862,"density_atomic":0.004570269867292027,"volume":875.221839442509,"volume_molar":131.76772783372274,"formula_full":"Zr1 Sc1 Pd2","formula_reduced":"ZrScPd2","formula_anonymous":"ABC2","energy":-16.93217223,"energy_per_atom":-4.2330430575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.93217223,"band_gap":0.3046999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9999539,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.464000Z","spacegroup":71},{"id":"mp-1095962","created_at":"2022-09-04T14:39:57.693005Z","structure_string":"Li1 Ag2 Bi1\n1.0\n-5.430922 5.936887 8.390992\n5.430922 -5.936887 8.390992\n5.430922 5.936887 -8.390992\nLi Ag Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.241651 0.241651 Ag\n0.000000 0.758349 0.758349 Ag\n0.000000 0.500000 0.500000 Bi\n","nsites":4,"nelements":3,"elements":["Li","Ag","Bi"],"chemical_system":"Ag-Bi-Li","density":0.6623431418314778,"density_atomic":0.003696190485063141,"volume":1082.19530788919,"volume_molar":162.92831184800602,"formula_full":"Li1 Ag2 Bi1","formula_reduced":"LiAg2Bi","formula_anonymous":"ABC2","energy":-6.67762912,"energy_per_atom":-1.66940728,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.67762912,"band_gap":0.4336000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000241,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.448000Z","spacegroup":71},{"id":"mp-1093934","created_at":"2022-09-04T14:39:36.210915Z","structure_string":"Mg2 Ni1 Pt1\n1.0\n-4.813878 5.242499 7.507312\n4.813878 -5.242499 7.507312\n4.813878 5.242499 -7.507312\nMg Ni Pt\n2 1 1\ndirect\n0.000000 0.251016 0.251016 Mg\n0.000000 0.748984 0.748984 Mg\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Pt\n","nsites":4,"nelements":3,"elements":["Mg","Ni","Pt"],"chemical_system":"Mg-Ni-Pt","density":0.6625747720273556,"density_atomic":0.005278154503200259,"volume":757.8406425152415,"volume_molar":114.09557557189062,"formula_full":"Mg2 Ni1 Pt1","formula_reduced":"Mg2NiPt","formula_anonymous":"ABC2","energy":-8.26542936,"energy_per_atom":-2.06635734,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.26542936,"band_gap":1.5702,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.6530853,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.477000Z","spacegroup":71},{"id":"mp-1096499","created_at":"2022-09-04T14:43:17.055814Z","structure_string":"Li1 Nb1 Ru2\n1.0\n-4.892404 5.228898 7.393107\n4.892404 -5.228898 7.393107\n4.892404 5.228898 -7.393107\nLi Nb Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Nb\n0.000000 0.276792 0.276792 Ru\n0.000000 0.723208 0.723208 Ru\n","nsites":4,"nelements":3,"elements":["Li","Nb","Ru"],"chemical_system":"Li-Nb-Ru","density":0.6628548310962202,"density_atomic":0.005287380019240468,"volume":756.5183484909791,"volume_molar":113.89649955338524,"formula_full":"Li1 Nb1 Ru2","formula_reduced":"LiNbRu2","formula_anonymous":"ABC2","energy":-18.6795717,"energy_per_atom":-4.669892925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.6795717,"band_gap":0.2442999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0001084,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.543000Z","spacegroup":71},{"id":"mp-1096638","created_at":"2022-09-04T14:44:04.706469Z","structure_string":"Al2 Cr1 Ir1\n1.0\n-5.050614 5.116183 7.226267\n5.050614 -5.116183 7.226267\n5.050614 5.116183 -7.226267\nAl Cr Ir\n2 1 1\ndirect\n0.000000 0.267893 0.267893 Al\n0.000000 0.732107 0.732107 Al\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Al","Cr","Ir"],"chemical_system":"Al-Cr-Ir","density":0.662914923668528,"density_atomic":0.005355447267590952,"volume":746.9030689941468,"volume_molar":112.44888538896859,"formula_full":"Al2 Cr1 Ir1","formula_reduced":"Al2CrIr","formula_anonymous":"ABC2","energy":-16.44760007,"energy_per_atom":-4.1119000175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.44760007,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.6980481,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.702000Z","spacegroup":71},{"id":"mp-1097669","created_at":"2022-09-04T14:46:16.857267Z","structure_string":"Zn1 Ga1 Co2\n1.0\n-4.816844 4.817592 6.823477\n4.816844 -4.817592 6.823477\n4.816844 4.817592 -6.823477\nZn Ga Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n0.000000 0.255929 0.255929 Co\n0.000000 0.744071 0.744071 Co\n","nsites":4,"nelements":3,"elements":["Zn","Ga","Co"],"chemical_system":"Co-Ga-Zn","density":0.6632977640165753,"density_atomic":0.00631541173377662,"volume":633.3712145174734,"volume_molar":95.35626517890951,"formula_full":"Zn1 Ga1 Co2","formula_reduced":"ZnGaCo2","formula_anonymous":"ABC2","energy":-10.30563586,"energy_per_atom":-2.576408965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.30563586,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.1844489,"is_theoretical":true,"updated_at":"2021-11-28T01:37:27.641000Z","spacegroup":71}]}