{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=22","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=20","results":[{"id":"mp-614502","created_at":"2022-09-04T14:45:16.611696Z","structure_string":"Gd1\n1.0\n0.000000 2.521600 2.521600\n2.521600 0.000000 2.521600\n2.521600 2.521600 0.000000\nGd\n1\ndirect\n0.000000 0.000000 0.000000 Gd\n","nsites":1,"nelements":1,"elements":["Gd"],"chemical_system":"Gd","density":8.14293875720926,"density_atomic":0.031184688974829945,"volume":32.067018555391996,"volume_molar":19.311209949410244,"formula_full":"Gd1","formula_reduced":"Gd","formula_anonymous":"A","energy":-14.02770758,"energy_per_atom":-14.02770758,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.02770758,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.4492425,"is_theoretical":false,"updated_at":"2021-11-28T01:36:53.128000Z","spacegroup":225},{"id":"mp-1067619","created_at":"2022-09-04T14:41:47.039466Z","structure_string":"Ge4\n1.0\n2.025202 -3.507754 0.000000\n2.025202 3.507754 0.000000\n0.000000 0.000000 10.993359\nGe\n4\ndirect\n0.000000 0.000000 0.477452 Ge\n0.000000 0.000000 0.977452 Ge\n0.666667 0.333333 0.414848 Ge\n0.333333 0.666667 0.914848 Ge\n","nsites":4,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":3.0890649653867857,"density_atomic":0.025609559533001754,"volume":156.1916750206266,"volume_molar":23.515206312859736,"formula_full":"Ge4","formula_reduced":"Ge","formula_anonymous":"A","energy":-16.58752852,"energy_per_atom":-4.14688213,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.58752852,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.4e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:39.733000Z","spacegroup":186},{"id":"mp-1080106","created_at":"2022-09-04T14:42:51.799059Z","structure_string":"Ge8\n1.0\n-3.523808 3.523808 3.523808\n3.523808 -3.523808 3.523808\n3.523808 3.523808 -3.523808\nGe\n8\ndirect\n0.500000 0.000000 0.798226 Ge\n0.798226 0.500000 0.000000 Ge\n0.000000 0.798226 0.500000 Ge\n0.701774 0.701774 0.701774 Ge\n0.500000 0.000000 0.201774 Ge\n0.201774 0.500000 0.000000 Ge\n0.000000 0.201774 0.500000 Ge\n0.298226 0.298226 0.298226 Ge\n","nsites":8,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":5.51338368875929,"density_atomic":0.04570811212702437,"volume":175.0236364557725,"volume_molar":13.17521218829662,"formula_full":"Ge8","formula_reduced":"Ge","formula_anonymous":"A","energy":-35.81940783,"energy_per_atom":-4.47742597875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.81940783,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.930000Z","spacegroup":206},{"id":"mp-1008733","created_at":"2022-09-04T14:47:24.181157Z","structure_string":"Ge2\n1.0\n1.495562 -2.590389 0.000000\n1.495562 2.590389 0.000000\n0.000000 0.000000 5.003386\nGe\n2\ndirect\n0.333333 0.666667 0.250000 Ge\n0.666667 0.333333 0.750000 Ge\n","nsites":2,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":6.222881270134663,"density_atomic":0.051590125212650204,"volume":38.7671088557387,"volume_molar":11.67304931937505,"formula_full":"Ge2","formula_reduced":"Ge","formula_anonymous":"A","energy":-8.58374841,"energy_per_atom":-4.291874205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.58374841,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016113,"is_theoretical":false,"updated_at":"2021-11-28T01:38:00.048000Z","spacegroup":194},{"id":"mp-1079020","created_at":"2022-09-04T14:47:15.836084Z","structure_string":"Ge8\n1.0\n3.007580 -4.433182 0.000000\n3.007580 4.433182 0.000000\n0.000000 0.000000 5.882045\nGe\n8\ndirect\n0.717993 0.282007 0.500000 Ge\n0.217993 0.782007 0.000000 Ge\n0.282007 0.717993 0.500000 Ge\n0.782007 0.217993 0.000000 Ge\n0.331168 0.331168 0.829096 Ge\n0.668832 0.668832 0.170904 Ge\n0.168832 0.168832 0.329096 Ge\n0.831168 0.831168 0.670904 Ge\n","nsites":8,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":6.152106319155599,"density_atomic":0.05100337312395896,"volume":156.8523709315606,"volume_molar":11.807338203619878,"formula_full":"Ge8","formula_reduced":"Ge","formula_anonymous":"A","energy":-34.47429677,"energy_per_atom":-4.30928709625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.47429677,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034514,"is_theoretical":false,"updated_at":"2021-11-28T01:38:04.026000Z","spacegroup":64},{"id":"mp-1061054","created_at":"2022-09-04T14:41:20.919552Z","structure_string":"Ge2\n1.0\n-1.436947 2.495898 2.650863\n1.436947 -2.495898 2.650863\n1.436947 2.495898 -2.650863\nGe\n2\ndirect\n0.250000 0.185943 0.935943 Ge\n0.750000 0.814057 0.064057 Ge\n","nsites":2,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":6.343662522757254,"density_atomic":0.0525914491453508,"volume":38.02899582539464,"volume_molar":11.450798291098943,"formula_full":"Ge2","formula_reduced":"Ge","formula_anonymous":"A","energy":-8.77409769,"energy_per_atom":-4.387048845,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.77409769,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.27e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:27.002000Z","spacegroup":74},{"id":"mp-1198022","created_at":"2022-09-04T14:40:06.625836Z","structure_string":"Ge34\n1.0\n0.000000 7.726817 7.726817\n7.726817 0.000000 7.726817\n7.726817 7.726817 0.000000\nGe\n34\ndirect\n0.500000 0.500000 0.500000 Ge\n0.750000 0.750000 0.750000 Ge\n0.473715 0.842095 0.842095 Ge\n0.842095 0.473715 0.842095 Ge\n0.842095 0.842095 0.473715 Ge\n0.842095 0.842095 0.842095 Ge\n0.776285 0.407905 0.407905 Ge\n0.407905 0.776285 0.407905 Ge\n0.407905 0.407905 0.776285 Ge\n0.407905 0.407905 0.407905 Ge\n0.389344 0.995453 0.995453 Ge\n0.995453 0.389344 0.619749 Ge\n0.995453 0.619749 0.389344 Ge\n0.619749 0.995453 0.995453 Ge\n0.995453 0.995453 0.389344 Ge\n0.389344 0.619749 0.995453 Ge\n0.619749 0.389344 0.995453 Ge\n0.995453 0.995453 0.619749 Ge\n0.995453 0.389344 0.995453 Ge\n0.619749 0.995453 0.389344 Ge\n0.389344 0.995453 0.619749 Ge\n0.995453 0.619749 0.995453 Ge\n0.860656 0.254547 0.254547 Ge\n0.254547 0.860656 0.630251 Ge\n0.254547 0.630251 0.860656 Ge\n0.630251 0.254547 0.254547 Ge\n0.254547 0.254547 0.860656 Ge\n0.860656 0.630251 0.254547 Ge\n0.630251 0.860656 0.254547 Ge\n0.254547 0.254547 0.630251 Ge\n0.254547 0.860656 0.254547 Ge\n0.630251 0.254547 0.860656 Ge\n0.860656 0.254547 0.630251 Ge\n0.254547 0.630251 0.254547 Ge\n","nsites":34,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":4.445002140288905,"density_atomic":0.03685081026510414,"volume":922.6391429497627,"volume_molar":16.34194938096833,"formula_full":"Ge34","formula_reduced":"Ge","formula_anonymous":"A","energy":-156.33740326,"energy_per_atom":-4.598158919411765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-156.33740326,"band_gap":1.1428,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0031995,"is_theoretical":false,"updated_at":"2021-11-28T01:34:48.280000Z","spacegroup":227},{"id":"mp-1224349","created_at":"2022-09-04T14:44:50.483390Z","structure_string":"Ge1\n1.0\n1.397149 -2.600516 0.000000\n1.397149 2.600516 0.000000\n0.000000 0.000000 2.698231\nGe\n1\ndirect\n0.500000 0.500000 0.000000 Ge\n","nsites":1,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":6.151960740616385,"density_atomic":0.05100216622079943,"volume":19.607010331106004,"volume_molar":11.807617609669457,"formula_full":"Ge1","formula_reduced":"Ge","formula_anonymous":"A","energy":-4.37127396,"energy_per_atom":-4.37127396,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.37127396,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012313,"is_theoretical":true,"updated_at":"2021-11-28T01:36:45.818000Z","spacegroup":65},{"id":"mp-1197020","created_at":"2022-09-04T14:43:34.611442Z","structure_string":"Ge34\n1.0\n0.000000 7.809953 7.809953\n7.809953 0.000000 7.809953\n7.809953 7.809953 0.000000\nGe\n34\ndirect\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Ge\n0.353724 0.353724 0.938828 Ge\n0.353724 0.938828 0.353724 Ge\n0.938828 0.353724 0.353724 Ge\n0.353724 0.353724 0.353724 Ge\n0.896276 0.896276 0.311172 Ge\n0.896276 0.311172 0.896276 Ge\n0.311172 0.896276 0.896276 Ge\n0.896276 0.896276 0.896276 Ge\n0.995239 0.387266 0.622256 Ge\n0.995239 0.995239 0.622256 Ge\n0.387266 0.995239 0.622256 Ge\n0.995239 0.622256 0.387266 Ge\n0.387266 0.622256 0.995239 Ge\n0.995239 0.622256 0.995239 Ge\n0.622256 0.995239 0.995239 Ge\n0.622256 0.387266 0.995239 Ge\n0.622256 0.995239 0.387266 Ge\n0.387266 0.995239 0.995239 Ge\n0.995239 0.995239 0.387266 Ge\n0.995239 0.387266 0.995239 Ge\n0.254761 0.862734 0.627744 Ge\n0.254761 0.254761 0.627744 Ge\n0.862734 0.254761 0.627744 Ge\n0.254761 0.627744 0.862734 Ge\n0.862734 0.627744 0.254761 Ge\n0.254761 0.627744 0.254761 Ge\n0.627744 0.254761 0.254761 Ge\n0.627744 0.862734 0.254761 Ge\n0.627744 0.254761 0.862734 Ge\n0.862734 0.254761 0.254761 Ge\n0.254761 0.254761 0.862734 Ge\n0.254761 0.862734 0.254761 Ge\n","nsites":34,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":4.304558292269342,"density_atomic":0.03568647570846574,"volume":952.7418812033135,"volume_molar":16.875134460451626,"formula_full":"Ge34","formula_reduced":"Ge","formula_anonymous":"A","energy":-146.06889571,"energy_per_atom":-4.296143991470588,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-146.06889571,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0040314,"is_theoretical":false,"updated_at":"2021-11-28T01:36:28.433000Z","spacegroup":227},{"id":"mp-137","created_at":"2022-09-04T14:39:17.941879Z","structure_string":"Ge12\n1.0\n6.026650 0.000000 0.000000\n0.000000 6.026650 0.000000\n0.000000 0.000000 7.105868\nGe\n12\ndirect\n0.087648 0.087648 0.000000 Ge\n0.412352 0.587648 0.750000 Ge\n0.587648 0.412352 0.250000 Ge\n0.912352 0.912352 0.500000 Ge\n0.171399 0.370395 0.253228 Ge\n0.129605 0.671399 0.003228 Ge\n0.870395 0.328601 0.503228 Ge\n0.671399 0.129605 0.996772 Ge\n0.328601 0.870395 0.496772 Ge\n0.828601 0.629605 0.753228 Ge\n0.370395 0.171399 0.746772 Ge\n0.629605 0.828601 0.246772 Ge\n","nsites":12,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":5.608375747078466,"density_atomic":0.04649563352911399,"volume":258.0887513337356,"volume_molar":12.952056575869946,"formula_full":"Ge12","formula_reduced":"Ge","formula_anonymous":"A","energy":-53.68365537999999,"energy_per_atom":-4.473637948333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.68365537999999,"band_gap":0.3433000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0044362,"is_theoretical":false,"updated_at":"2021-11-28T01:34:37.185000Z","spacegroup":96},{"id":"mp-78","created_at":"2022-09-04T14:44:12.306578Z","structure_string":"Ge2\n1.0\n-2.591030 2.591030 1.436914\n2.591030 -2.591030 1.436914\n2.591030 2.591030 -1.436914\nGe\n2\ndirect\n0.500000 0.500000 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n","nsites":2,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":6.252004446617142,"density_atomic":0.05183156776250761,"volume":38.58652335511065,"volume_molar":11.61867375417519,"formula_full":"Ge2","formula_reduced":"Ge","formula_anonymous":"A","energy":-8.78085444,"energy_per_atom":-4.39042722,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.78085444,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003795,"is_theoretical":false,"updated_at":"2021-11-28T01:36:36.053000Z","spacegroup":141},{"id":"mp-1007760","created_at":"2022-09-04T14:44:12.756311Z","structure_string":"Ge4\n1.0\n2.024987 -3.507380 0.000000\n2.024987 3.507380 0.000000\n0.000000 0.000000 6.683957\nGe\n4\ndirect\n0.666667 0.333333 0.062942 Ge\n0.333333 0.666667 0.562942 Ge\n0.666667 0.333333 0.437058 Ge\n0.333333 0.666667 0.937058 Ge\n","nsites":4,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":5.081784224344132,"density_atomic":0.04212998337214152,"volume":94.94425774316832,"volume_molar":14.294192112076988,"formula_full":"Ge4","formula_reduced":"Ge","formula_anonymous":"A","energy":-18.40512385,"energy_per_atom":-4.6012809625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.40512385,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.1e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:36:30.730000Z","spacegroup":194}]}