{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=structure_string&page=12124","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=structure_string&page=12122","results":[{"id":"mp-1096319","created_at":"2022-09-04T14:48:30.099178Z","structure_string":"Zr2 Tc1 Ag1\n1.0\n-5.142640 5.781079 8.260986\n5.142640 -5.781079 8.260986\n5.142640 5.781079 -8.260986\nZr Tc Ag\n2 1 1\ndirect\n0.000000 0.219665 0.219665 Zr\n0.000000 0.780335 0.780335 Zr\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Zr","Tc","Ag"],"chemical_system":"Ag-Tc-Zr","density":0.6563684560000945,"density_atomic":0.00407167481946148,"volume":982.3967230588026,"volume_molar":147.90328371057117,"formula_full":"Zr2 Tc1 Ag1","formula_reduced":"Zr2TcAg","formula_anonymous":"ABC2","energy":-18.18206003,"energy_per_atom":-4.5455150075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.18206003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0003324,"is_theoretical":true,"updated_at":"2021-11-28T01:39:45.721000Z","spacegroup":71},{"id":"mp-1097650","created_at":"2022-09-04T14:48:12.229927Z","structure_string":"Zr2 Tc1 Au1\n1.0\n-5.049004 5.753572 8.134034\n5.049004 -5.753572 8.134034\n5.049004 5.753572 -8.134034\nZr Tc Au\n2 1 1\ndirect\n0.000000 0.224684 0.224684 Zr\n0.000000 0.775316 0.775316 Zr\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Zr","Tc","Au"],"chemical_system":"Au-Tc-Zr","density":0.8387557757111946,"density_atomic":0.00423204960579354,"volume":945.1685052377761,"volume_molar":142.29844451151712,"formula_full":"Zr2 Tc1 Au1","formula_reduced":"Zr2TcAu","formula_anonymous":"ABC2","energy":-19.53517311,"energy_per_atom":-4.8837932775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.53517311,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000405,"is_theoretical":true,"updated_at":"2021-11-28T01:38:31.806000Z","spacegroup":71},{"id":"mp-1188001","created_at":"2022-09-04T14:42:14.159417Z","structure_string":"Zr2 Tc1 Ir1\n1.0\n0.000000 3.300750 3.300750\n3.300750 0.000000 3.300750\n3.300750 3.300750 0.000000\nZr Tc Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Zr\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Zr","Tc","Ir"],"chemical_system":"Ir-Tc-Zr","density":10.912761172373205,"density_atomic":0.05561502026425046,"volume":71.92301613834374,"volume_molar":10.82826317672144,"formula_full":"Zr2 Tc1 Ir1","formula_reduced":"Zr2TcIr","formula_anonymous":"ABC2","energy":-39.09613913,"energy_per_atom":-9.7740347825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.09613913,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0035708,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.637000Z","spacegroup":225},{"id":"mp-1097312","created_at":"2022-09-04T14:47:28.575570Z","structure_string":"Zr2 Tc1 Ir1\n1.0\n-4.590601 5.647918 7.901044\n4.590601 -5.647918 7.901044\n4.590601 5.647918 -7.901044\nZr Tc Ir\n2 1 1\ndirect\n0.000000 0.241902 0.241902 Zr\n0.000000 0.758098 0.758098 Zr\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Zr","Tc","Ir"],"chemical_system":"Ir-Tc-Zr","density":0.9578558166682255,"density_atomic":0.0048815482912881,"volume":819.4121539550549,"volume_molar":123.36538328930328,"formula_full":"Zr2 Tc1 Ir1","formula_reduced":"Zr2TcIr","formula_anonymous":"ABC2","energy":-23.70277955,"energy_per_atom":-5.9256948875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.70277955,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.41e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:08.628000Z","spacegroup":71},{"id":"mp-1093638","created_at":"2022-09-04T14:47:14.322011Z","structure_string":"Zr2 Tc1 Mo1\n1.0\n-4.717041 5.613669 8.003516\n4.717041 -5.613669 8.003516\n4.717041 5.613669 -8.003516\nZr Tc Mo\n2 1 1\ndirect\n0.000000 0.254761 0.254761 Zr\n0.000000 0.745239 0.745239 Zr\n0.000000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Mo\n","nsites":4,"nelements":3,"elements":["Zr","Tc","Mo"],"chemical_system":"Mo-Tc-Zr","density":0.7372717692086417,"density_atomic":0.00471848664046997,"volume":847.7294320794332,"volume_molar":127.62864915943014,"formula_full":"Zr2 Tc1 Mo1","formula_reduced":"Zr2TcMo","formula_anonymous":"ABC2","energy":-23.00442292,"energy_per_atom":-5.75110573,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.00442292,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.3366926,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.567000Z","spacegroup":71},{"id":"mp-1188020","created_at":"2022-09-04T14:39:35.127282Z","structure_string":"Zr2 Tc1 Ni1\n1.0\n0.000000 3.267281 3.267281\n3.267281 0.000000 3.267281\n3.267281 3.267281 0.000000\nZr Tc Ni\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Ni\n","nsites":4,"nelements":3,"elements":["Zr","Tc","Ni"],"chemical_system":"Ni-Tc-Zr","density":8.0731021684927,"density_atomic":0.05734169599503381,"volume":69.7572670390919,"volume_molar":10.502202028557997,"formula_full":"Zr2 Tc1 Ni1","formula_reduced":"Zr2TcNi","formula_anonymous":"ABC2","energy":-34.79242383,"energy_per_atom":-8.6981059575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.79242383,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0030427,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.884000Z","spacegroup":225},{"id":"mp-1097278","created_at":"2022-09-04T14:41:56.704078Z","structure_string":"Zr2 Tc1 Ni1\n1.0\n-4.494794 5.737850 8.106447\n4.494794 -5.737850 8.106447\n4.494794 5.737850 -8.106447\nZr Tc Ni\n2 1 1\ndirect\n0.000000 0.254763 0.254763 Zr\n0.000000 0.745237 0.745237 Zr\n0.000000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Ni\n","nsites":4,"nelements":3,"elements":["Zr","Tc","Ni"],"chemical_system":"Ni-Tc-Zr","density":0.6734112757460247,"density_atomic":0.004783111107420311,"volume":836.2757858153396,"volume_molar":125.90426240898967,"formula_full":"Zr2 Tc1 Ni1","formula_reduced":"Zr2TcNi","formula_anonymous":"ABC2","energy":-20.69714845,"energy_per_atom":-5.1742871125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.69714845,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0877243,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.733000Z","spacegroup":71},{"id":"mp-1188002","created_at":"2022-09-04T14:46:57.097801Z","structure_string":"Zr2 Tc1 Os1\n1.0\n0.000000 3.291284 3.291284\n3.291284 0.000000 3.291284\n3.291284 3.291284 0.000000\nZr Tc Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Os\n","nsites":4,"nelements":3,"elements":["Zr","Tc","Os"],"chemical_system":"Os-Tc-Zr","density":10.960917919952887,"density_atomic":0.056096261644329,"volume":71.3059994151032,"volume_molar":10.735369137755729,"formula_full":"Zr2 Tc1 Os1","formula_reduced":"Zr2TcOs","formula_anonymous":"ABC2","energy":-40.62034188,"energy_per_atom":-10.15508547,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.62034188,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019911,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.088000Z","spacegroup":225},{"id":"mp-1093957","created_at":"2022-09-04T14:46:52.332322Z","structure_string":"Zr2 Tc1 Os1\n1.0\n-4.621890 5.825120 7.736628\n4.621890 -5.825120 7.736628\n4.621890 5.825120 -7.736628\nZr Tc Os\n2 1 1\ndirect\n0.000000 0.248695 0.248695 Zr\n0.000000 0.751305 0.751305 Zr\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Os\n","nsites":4,"nelements":3,"elements":["Zr","Tc","Os"],"chemical_system":"Os-Tc-Zr","density":0.9380733728856543,"density_atomic":0.004800912638090265,"volume":833.1749193401577,"volume_molar":125.43741604920189,"formula_full":"Zr2 Tc1 Os1","formula_reduced":"Zr2TcOs","formula_anonymous":"ABC2","energy":-24.18911682,"energy_per_atom":-6.047279205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.18911682,"band_gap":0.0186999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000257,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.007000Z","spacegroup":71},{"id":"mp-977578","created_at":"2022-09-04T14:43:53.871178Z","structure_string":"Zr2 Tc1 Pd1\n1.0\n0.000000 3.324152 3.324152\n3.324152 0.000000 3.324152\n3.324152 3.324152 0.000000\nZr Tc Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Pd\n","nsites":4,"nelements":3,"elements":["Zr","Tc","Pd"],"chemical_system":"Pd-Tc-Zr","density":8.74458669618176,"density_atomic":0.054448682228179605,"volume":73.46366957490521,"volume_molar":11.060213973155214,"formula_full":"Zr2 Tc1 Pd1","formula_reduced":"Zr2TcPd","formula_anonymous":"ABC2","energy":-34.73166037,"energy_per_atom":-8.6829150925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.73166037,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015413,"is_theoretical":true,"updated_at":"2021-11-28T01:36:23.554000Z","spacegroup":225},{"id":"mp-1097159","created_at":"2022-09-04T14:45:37.235024Z","structure_string":"Zr2 Tc1 Pt1\n1.0\n-4.689642 5.586542 7.923313\n4.689642 -5.586542 7.923313\n4.689642 5.586542 -7.923313\nZr Tc Pt\n2 1 1\ndirect\n0.000000 0.237593 0.237593 Zr\n0.000000 0.762407 0.762407 Zr\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Pt\n","nsites":4,"nelements":3,"elements":["Zr","Tc","Pt"],"chemical_system":"Pt-Tc-Zr","density":0.9509972960478,"density_atomic":0.004817374713927463,"volume":830.3277692797366,"volume_molar":125.00876758848445,"formula_full":"Zr2 Tc1 Pt1","formula_reduced":"Zr2TcPt","formula_anonymous":"ABC2","energy":-22.22500228,"energy_per_atom":-5.55625057,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.22500228,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2453946,"is_theoretical":true,"updated_at":"2021-11-28T01:37:10.505000Z","spacegroup":71},{"id":"mp-1188004","created_at":"2022-09-04T14:44:11.149119Z","structure_string":"Zr2 Tc1 Rh1\n1.0\n0.000000 3.301018 3.301018\n3.301018 0.000000 3.301018\n3.301018 3.301018 0.000000\nZr Tc Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Rh\n","nsites":4,"nelements":3,"elements":["Zr","Tc","Rh"],"chemical_system":"Rh-Tc-Zr","density":8.848605984712282,"density_atomic":0.055601475701284396,"volume":71.94053664132515,"volume_molar":10.830900950099942,"formula_full":"Zr2 Tc1 Rh1","formula_reduced":"Zr2TcRh","formula_anonymous":"ABC2","energy":-37.36322841,"energy_per_atom":-9.3408071025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.36322841,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011202,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.670000Z","spacegroup":225}]}