{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume&page=12108","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume&page=12106","results":[{"id":"mp-1215431","created_at":"2022-09-04T14:40:58.392664Z","structure_string":"Zn1 Co2\n1.0\n1.284772 -2.225291 0.000000\n1.284772 2.225291 0.000000\n0.000000 0.000000 6.207065\nZn Co\n1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.653271 Co\n0.666667 0.333333 0.346729 Co\n","nsites":3,"nelements":2,"elements":["Zn","Co"],"chemical_system":"Co-Zn","density":8.574801716631919,"density_atomic":0.08452634520841931,"volume":35.49189300214985,"volume_molar":7.1245725165935125,"formula_full":"Zn1 Co2","formula_reduced":"ZnCo2","formula_anonymous":"AB2","energy":-15.41616715,"energy_per_atom":-5.1387223833333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.41616715,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.992656,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.273000Z","spacegroup":164},{"id":"mp-1183404","created_at":"2022-09-04T14:42:47.962093Z","structure_string":"Be3 Cu1\n1.0\n0.000000 2.608114 2.608114\n2.608114 0.000000 2.608114\n2.608114 2.608114 0.000000\nBe Cu\n3 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.750000 0.750000 0.750000 Be\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Cu\n","nsites":4,"nelements":2,"elements":["Be","Cu"],"chemical_system":"Be-Cu","density":4.239200072058037,"density_atomic":0.112732797563707,"volume":35.482131965540376,"volume_molar":5.341959829034491,"formula_full":"Be3 Cu1","formula_reduced":"Be3Cu","formula_anonymous":"AB3","energy":-15.48628795,"energy_per_atom":-3.8715719875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.48628795,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005798,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.459000Z","spacegroup":225},{"id":"mp-159","created_at":"2022-09-04T14:47:11.827059Z","structure_string":"Nd1\n1.0\n0.000000 2.607924 2.607924\n2.607924 0.000000 2.607924\n2.607924 2.607924 0.000000\nNd\n1\ndirect\n0.000000 0.000000 0.000000 Nd\n","nsites":1,"nelements":1,"elements":["Nd"],"chemical_system":"Nd","density":6.751900663186124,"density_atomic":0.028189359690863777,"volume":35.47437795559797,"volume_molar":21.3631697422052,"formula_full":"Nd1","formula_reduced":"Nd","formula_anonymous":"A","energy":-4.75913303,"energy_per_atom":-4.75913303,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.75913303,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.003862,"is_theoretical":false,"updated_at":"2021-11-28T01:37:55.223000Z","spacegroup":225},{"id":"mp-1002122","created_at":"2022-09-04T14:40:16.125795Z","structure_string":"Hf1 Ir1\n1.0\n3.284961 0.000000 0.000000\n0.000000 3.284961 0.000000\n0.000000 0.000000 3.284961\nHf Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ir\n","nsites":2,"nelements":2,"elements":["Hf","Ir"],"chemical_system":"Hf-Ir","density":17.3655775067149,"density_atomic":0.05642081328934543,"volume":35.447911566664395,"volume_molar":10.673615655124255,"formula_full":"Hf1 Ir1","formula_reduced":"HfIr","formula_anonymous":"AB","energy":-20.60674136,"energy_per_atom":-10.30337068,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.60674136,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024081,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.630000Z","spacegroup":221},{"id":"mp-1080476","created_at":"2022-09-04T14:45:29.780098Z","structure_string":"Fe2 H6\n1.0\n3.284726 0.000000 0.000000\n0.000000 3.284726 0.000000\n0.000000 0.000000 3.284726\nFe H\n2 6\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.750000 H\n0.000000 0.250000 0.500000 H\n0.750000 0.500000 0.000000 H\n0.500000 0.000000 0.250000 H\n0.000000 0.750000 0.500000 H\n0.250000 0.500000 0.000000 H\n","nsites":8,"nelements":2,"elements":["Fe","H"],"chemical_system":"Fe-H","density":5.516542640066301,"density_atomic":0.22573169496858866,"volume":35.44030447790341,"volume_molar":2.667831276789908,"formula_full":"Fe2 H6","formula_reduced":"FeH3","formula_anonymous":"AB3","energy":-34.9642892,"energy_per_atom":-4.37053615,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.8902892,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9429422,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.339000Z","spacegroup":223},{"id":"mp-24650","created_at":"2022-09-04T14:46:28.221146Z","structure_string":"Y1 H2\n1.0\n0.000000 2.606580 2.606580\n2.606580 0.000000 2.606580\n2.606580 2.606580 0.000000\nY H\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 H\n0.750000 0.750000 0.750000 H\n","nsites":3,"nelements":2,"elements":["Y","H"],"chemical_system":"H-Y","density":4.2625905371206585,"density_atomic":0.08469896104810892,"volume":35.41956079362063,"volume_molar":7.110052691885359,"formula_full":"Y1 H2","formula_reduced":"YH2","formula_anonymous":"AB2","energy":-15.70067552,"energy_per_atom":-5.233558506666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.34267552,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0043385,"is_theoretical":false,"updated_at":"2021-11-28T01:37:39.480000Z","spacegroup":225},{"id":"mp-24199","created_at":"2022-09-04T14:42:24.992410Z","structure_string":"Li1 H1 F2\n1.0\n4.524879 -1.516858 0.000000\n4.524879 1.516858 0.000000\n4.016388 0.000000 2.577598\nLi H F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 H\n0.413848 0.413848 0.413848 F\n0.586152 0.586152 0.586152 F\n","nsites":4,"nelements":3,"elements":["Li","H","F"],"chemical_system":"F-H-Li","density":2.1562411515669577,"density_atomic":0.1130480076974274,"volume":35.38319764737461,"volume_molar":5.327064919284769,"formula_full":"Li1 H1 F2","formula_reduced":"LiHF2","formula_anonymous":"ABC2","energy":-19.2869744,"energy_per_atom":-4.8217436,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.3629744,"band_gap":8.0448,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001528,"is_theoretical":false,"updated_at":"2021-11-28T01:35:43.980000Z","spacegroup":166},{"id":"mp-214","created_at":"2022-09-04T14:46:42.268181Z","structure_string":"Zr1 Ru1\n1.0\n3.282356 0.000000 0.000000\n0.000000 3.282356 0.000000\n0.000000 0.000000 3.282356\nZr Ru\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ru\n","nsites":2,"nelements":2,"elements":["Zr","Ru"],"chemical_system":"Ru-Zr","density":9.02937695427734,"density_atomic":0.056555252907058436,"volume":35.36364700351977,"volume_molar":10.648243002107415,"formula_full":"Zr1 Ru1","formula_reduced":"ZrRu","formula_anonymous":"AB","energy":-19.13700874,"energy_per_atom":-9.56850437,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.13700874,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.816000Z","spacegroup":221},{"id":"mp-1217887","created_at":"2022-09-04T14:41:56.731614Z","structure_string":"Ta1 Ti1\n1.0\n1.647183 -2.303194 0.000000\n1.647184 2.303194 0.000000\n0.000000 0.000000 4.659713\nTa Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ti\n","nsites":2,"nelements":2,"elements":["Ta","Ti"],"chemical_system":"Ta-Ti","density":10.746615063570298,"density_atomic":0.05656767481968106,"volume":35.35588136467223,"volume_molar":10.645904713595854,"formula_full":"Ta1 Ti1","formula_reduced":"TaTi","formula_anonymous":"AB","energy":-19.63207368,"energy_per_atom":-9.81603684,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.63207368,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0591736,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.867000Z","spacegroup":65},{"id":"mp-634930","created_at":"2022-09-04T14:44:24.503731Z","structure_string":"Yb1 H3\n1.0\n0.000000 2.604971 2.604971\n2.604971 0.000000 2.604971\n2.604971 2.604971 0.000000\nYb H\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n0.500000 0.500000 0.500000 H\n","nsites":4,"nelements":2,"elements":["Yb","H"],"chemical_system":"H-Yb","density":8.269524602800002,"density_atomic":0.11314133975635565,"volume":35.35400949479478,"volume_molar":5.322670540200766,"formula_full":"Yb1 H3","formula_reduced":"YbH3","formula_anonymous":"AB3","energy":-12.75456718,"energy_per_atom":-3.188641795,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.21756718,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020675,"is_theoretical":false,"updated_at":"2021-11-28T01:36:36.748000Z","spacegroup":225},{"id":"mp-1216634","created_at":"2022-09-04T14:40:10.934862Z","structure_string":"Ti1 Nb1\n1.0\n1.639802 -2.321295 0.000000\n1.639802 2.321295 0.000000\n0.000000 0.000000 4.639391\nTi Nb\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Nb\n","nsites":2,"nelements":2,"elements":["Ti","Nb"],"chemical_system":"Nb-Ti","density":6.618459515539193,"density_atomic":0.056626181499246885,"volume":35.31935135033959,"volume_molar":10.634905269182054,"formula_full":"Ti1 Nb1","formula_reduced":"TiNb","formula_anonymous":"AB","energy":-17.92708094,"energy_per_atom":-8.96354047,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.92708094,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0224333,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.950000Z","spacegroup":65},{"id":"mp-1774","created_at":"2022-09-04T14:48:24.380528Z","structure_string":"Er1 B2\n1.0\n1.638137 -2.837336 0.000000\n1.638137 2.837336 0.000000\n0.000000 0.000000 3.799124\nEr B\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n","nsites":3,"nelements":2,"elements":["Er","B"],"chemical_system":"B-Er","density":8.881021436299187,"density_atomic":0.08494675674173727,"volume":35.31623943125773,"volume_molar":7.08931216562988,"formula_full":"Er1 B2","formula_reduced":"ErB2","formula_anonymous":"AB2","energy":-19.79283819,"energy_per_atom":-6.597612730000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.79283819,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004284,"is_theoretical":false,"updated_at":"2021-11-28T01:39:30.901000Z","spacegroup":191}]}