{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=101","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=99","results":[{"id":"mp-983","created_at":"2022-09-04T14:40:28.424320Z","structure_string":"Rh4 Se8\n1.0\n6.099805 0.000000 0.000000\n0.000000 6.099805 0.000000\n0.000000 0.000000 6.099805\nRh Se\n4 8\ndirect\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.378072 0.121928 0.878072 Se\n0.121928 0.878072 0.378072 Se\n0.878072 0.378072 0.121928 Se\n0.621928 0.621928 0.621928 Se\n0.378072 0.378072 0.378072 Se\n0.121928 0.621928 0.878072 Se\n0.878072 0.121928 0.621928 Se\n0.621928 0.878072 0.121928 Se\n","nsites":12,"nelements":2,"elements":["Rh","Se"],"chemical_system":"Rh-Se","density":7.6332815701689585,"density_atomic":0.05287293162534771,"volume":226.95923284585007,"volume_molar":11.389837058161037,"formula_full":"Rh4 Se8","formula_reduced":"RhSe2","formula_anonymous":"AB2","energy":-65.929365,"energy_per_atom":-5.49411375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.15336500000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003339,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.147000Z","spacegroup":205},{"id":"mp-982982","created_at":"2022-09-04T14:45:29.262909Z","structure_string":"Hf1 H3\n1.0\n-1.526512 1.526512 3.034032\n1.526512 -1.526512 3.034032\n1.526512 1.526512 -3.034032\nHf H\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.750000 0.250000 0.500000 H\n0.250000 0.750000 0.500000 H\n0.500000 0.500000 0.000000 H\n","nsites":4,"nelements":2,"elements":["Hf","H"],"chemical_system":"H-Hf","density":10.65806097526149,"density_atomic":0.14144232862019723,"volume":28.280077392821013,"volume_molar":4.257665169081549,"formula_full":"Hf1 H3","formula_reduced":"HfH3","formula_anonymous":"AB3","energy":-21.51194428,"energy_per_atom":-5.37798607,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.97494428,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001204,"is_theoretical":true,"updated_at":"2021-11-28T01:37:02.016000Z","spacegroup":139},{"id":"mp-982981","created_at":"2022-09-04T14:39:37.202280Z","structure_string":"Na6 Rh2\n1.0\n3.179238 -5.506601 0.000000\n3.179238 5.506601 0.000000\n0.000000 0.000000 5.213929\nNa Rh\n6 2\ndirect\n0.177469 0.354938 0.250000 Na\n0.645062 0.822531 0.250000 Na\n0.177469 0.822531 0.250000 Na\n0.822531 0.645062 0.750000 Na\n0.354938 0.177469 0.750000 Na\n0.822531 0.177469 0.750000 Na\n0.333333 0.666667 0.750000 Rh\n0.666667 0.333333 0.250000 Rh\n","nsites":8,"nelements":2,"elements":["Na","Rh"],"chemical_system":"Na-Rh","density":3.126724093215808,"density_atomic":0.043821599803188595,"volume":182.55837385968496,"volume_molar":13.742402803746593,"formula_full":"Na6 Rh2","formula_reduced":"Na3Rh","formula_anonymous":"AB3","energy":-19.68862479,"energy_per_atom":-2.46107809875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.68862479,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0190649,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.137000Z","spacegroup":194},{"id":"mp-982980","created_at":"2022-09-04T14:47:29.928571Z","structure_string":"Na6 Dy2 Cl12\n1.0\n7.345798 0.000000 0.000000\n0.000000 6.855670 0.000000\n0.000000 6.666005 10.346287\nNa Dy Cl\n6 2 12\ndirect\n0.904906 0.705246 0.755544 Na\n0.404906 0.294754 0.744456 Na\n0.095094 0.294754 0.244456 Na\n0.595094 0.705246 0.255544 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.558060 0.907298 0.737149 Cl\n0.058060 0.092702 0.762851 Cl\n0.941940 0.907298 0.237149 Cl\n0.441940 0.092702 0.262851 Cl\n0.177098 0.387188 0.928059 Cl\n0.677098 0.612812 0.571941 Cl\n0.822902 0.612812 0.071941 Cl\n0.322902 0.387188 0.428059 Cl\n0.306965 0.756246 0.077019 Cl\n0.806965 0.243754 0.422981 Cl\n0.693035 0.243754 0.922981 Cl\n0.193035 0.756246 0.577019 Cl\n","nsites":20,"nelements":3,"elements":["Na","Dy","Cl"],"chemical_system":"Cl-Dy-Na","density":2.8312083506179446,"density_atomic":0.03838456190275099,"volume":521.0428101451541,"volume_molar":15.688965723400374,"formula_full":"Na6 Dy2 Cl12","formula_reduced":"Na3DyCl6","formula_anonymous":"AB3C6","energy":-86.59368257999999,"energy_per_atom":-4.329684128999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.22568258,"band_gap":5.218699999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0019006,"is_theoretical":false,"updated_at":"2021-11-28T01:38:12.367000Z","spacegroup":14},{"id":"mp-982975","created_at":"2022-09-04T14:45:34.970303Z","structure_string":"Li1 Be1 O3\n1.0\n3.507241 0.000000 0.000000\n0.000000 3.507241 0.000000\n0.000000 0.000000 3.507241\nLi Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Li","Be","O"],"chemical_system":"Be-Li-O","density":2.461513393735289,"density_atomic":0.11589726196082771,"volume":43.1416576665112,"volume_molar":5.196102701749273,"formula_full":"Li1 Be1 O3","formula_reduced":"LiBeO3","formula_anonymous":"ABC3","energy":-27.225265,"energy_per_atom":-5.445053,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.164265,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0302921,"is_theoretical":true,"updated_at":"2021-11-28T01:37:01.180000Z","spacegroup":221},{"id":"mp-982974","created_at":"2022-09-04T14:46:32.722214Z","structure_string":"Li1 Be1 Au2\n1.0\n0.000000 3.014056 3.014056\n3.014056 0.000000 3.014056\n3.014056 3.014056 0.000000\nLi Be Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Be\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n","nsites":4,"nelements":3,"elements":["Li","Be","Au"],"chemical_system":"Au-Be-Li","density":12.428782111951941,"density_atomic":0.0730425698319578,"volume":54.76258583456778,"volume_molar":8.244700006933732,"formula_full":"Li1 Be1 Au2","formula_reduced":"LiBeAu2","formula_anonymous":"ABC2","energy":-13.52976263,"energy_per_atom":-3.3824406575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.52976263,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000611,"is_theoretical":true,"updated_at":"2021-11-28T01:37:34.897000Z","spacegroup":225},{"id":"mp-982930","created_at":"2022-09-04T14:41:52.880991Z","structure_string":"Hf1 Tl3\n1.0\n-2.222356 2.222356 5.056244\n2.222356 -2.222356 5.056244\n2.222356 2.222356 -5.056244\nHf Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.750000 0.250000 0.500000 Tl\n0.250000 0.750000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n","nsites":4,"nelements":2,"elements":["Hf","Tl"],"chemical_system":"Hf-Tl","density":13.160169952865427,"density_atomic":0.040044669759099365,"volume":99.88845017484702,"volume_molar":15.038557681279384,"formula_full":"Hf1 Tl3","formula_reduced":"HfTl3","formula_anonymous":"AB3","energy":-16.0252646,"energy_per_atom":-4.00631615,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.0252646,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015648,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.848000Z","spacegroup":139},{"id":"mp-982929","created_at":"2022-09-04T14:39:35.341322Z","structure_string":"Pm2 Ag1 Rh1\n1.0\n0.000000 3.623695 3.623695\n3.623695 0.000000 3.623695\n3.623695 3.623695 0.000000\nPm Ag Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Pm","Ag","Rh"],"chemical_system":"Ag-Pm-Rh","density":8.737872508597984,"density_atomic":0.04203151899382572,"volume":95.16667719259885,"volume_molar":14.3276781428828,"formula_full":"Pm2 Ag1 Rh1","formula_reduced":"Pm2AgRh","formula_anonymous":"ABC2","energy":-21.58863463,"energy_per_atom":-5.3971586575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.58863463,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002316,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.250000Z","spacegroup":225},{"id":"mp-982885","created_at":"2022-09-04T14:47:10.106167Z","structure_string":"K1 Ca1 O3\n1.0\n4.568674 0.000000 0.000000\n0.000000 4.568674 0.000000\n0.000000 0.000000 4.568674\nK Ca O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["K","Ca","O"],"chemical_system":"Ca-K-O","density":2.2145150019717708,"density_atomic":0.052432370725319775,"volume":95.36093697143247,"volume_molar":11.48553970894909,"formula_full":"K1 Ca1 O3","formula_reduced":"KCaO3","formula_anonymous":"ABC3","energy":-25.335560450000003,"energy_per_atom":-5.06711209,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.27456045,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.296000Z","spacegroup":221},{"id":"mp-982883","created_at":"2022-09-04T14:43:08.192882Z","structure_string":"Na6 Cd16 Au7\n1.0\n0.000000 6.919901 6.919901\n6.919901 0.000000 6.919901\n6.919901 6.919901 0.000000\nNa Cd Au\n6 16 7\ndirect\n0.292280 0.707720 0.707720 Na\n0.707720 0.292280 0.292280 Na\n0.707720 0.292280 0.707720 Na\n0.707720 0.707720 0.292280 Na\n0.292280 0.707720 0.292280 Na\n0.292280 0.292280 0.707720 Na\n0.358108 0.880631 0.880631 Cd\n0.880631 0.358108 0.880631 Cd\n0.880631 0.880631 0.880631 Cd\n0.880631 0.880631 0.358108 Cd\n0.119369 0.641892 0.119369 Cd\n0.641892 0.119369 0.119369 Cd\n0.119369 0.119369 0.119369 Cd\n0.119369 0.119369 0.641892 Cd\n0.661599 0.661599 0.015202 Cd\n0.661599 0.661599 0.661599 Cd\n0.661599 0.015202 0.661599 Cd\n0.015202 0.661599 0.661599 Cd\n0.338401 0.338401 0.984798 Cd\n0.338401 0.338401 0.338401 Cd\n0.984798 0.338401 0.338401 Cd\n0.338401 0.984798 0.338401 Cd\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.000000 0.000000 Au\n0.000000 0.500000 0.000000 Au\n","nsites":29,"nelements":3,"elements":["Na","Cd","Au"],"chemical_system":"Au-Cd-Na","density":8.306914686173185,"density_atomic":0.04375909771260091,"volume":662.7193318853357,"volume_molar":13.762031382712578,"formula_full":"Na6 Cd16 Au7","formula_reduced":"Na6Cd16Au7","formula_anonymous":"A6B7C16","energy":-51.93201605,"energy_per_atom":-1.7907591741379312,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.93201605,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0447563,"is_theoretical":false,"updated_at":"2021-11-28T01:36:05.673000Z","spacegroup":225},{"id":"mp-982881","created_at":"2022-09-04T14:39:39.575257Z","structure_string":"Pm1 Tm3\n1.0\n-2.499286 2.499286 5.006653\n2.499286 -2.499286 5.006653\n2.499286 2.499286 -5.006653\nPm Tm\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.750000 0.250000 0.500000 Tm\n0.250000 0.750000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n","nsites":4,"nelements":2,"elements":["Pm","Tm"],"chemical_system":"Pm-Tm","density":8.652185246465672,"density_atomic":0.0319757393147173,"volume":125.09484020464672,"volume_molar":18.833468401552246,"formula_full":"Pm1 Tm3","formula_reduced":"PmTm3","formula_anonymous":"AB3","energy":-18.04984662,"energy_per_atom":-4.512461655,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.04984662,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002666,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.220000Z","spacegroup":139},{"id":"mp-982880","created_at":"2022-09-04T14:46:58.282248Z","structure_string":"Pm3 Y1\n1.0\n5.140088 0.000000 0.000000\n0.000000 5.140088 0.000000\n0.000000 0.000000 5.140088\nPm Y\n3 1\ndirect\n0.500000 0.000000 0.000000 Pm\n0.000000 0.500000 0.000000 Pm\n0.000000 0.000000 0.500000 Pm\n0.500000 0.500000 0.500000 Y\n","nsites":4,"nelements":2,"elements":["Pm","Y"],"chemical_system":"Pm-Y","density":6.406055285021451,"density_atomic":0.029454274393823157,"volume":135.8037188938132,"volume_molar":20.445727772750367,"formula_full":"Pm3 Y1","formula_reduced":"Pm3Y","formula_anonymous":"AB3","energy":-20.6875432,"energy_per_atom":-5.1718858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.6875432,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0044932,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.430000Z","spacegroup":221}]}