{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=69","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=67","results":[{"id":"mp-862289","created_at":"2022-09-04T14:43:09.338290Z","structure_string":"Ac2 Hg6\n1.0\n3.571108 -6.185341 0.000000\n3.571108 6.185341 0.000000\n0.000000 0.000000 5.209057\nAc Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.157671 0.315342 0.250000 Hg\n0.684658 0.842329 0.250000 Hg\n0.157671 0.842329 0.250000 Hg\n0.842329 0.684658 0.750000 Hg\n0.315342 0.157671 0.750000 Hg\n0.842329 0.157671 0.750000 Hg\n","nsites":8,"nelements":2,"elements":["Ac","Hg"],"chemical_system":"Ac-Hg","density":11.960721487060978,"density_atomic":0.03476436087750737,"volume":230.12072703387508,"volume_molar":17.32274262489416,"formula_full":"Ac2 Hg6","formula_reduced":"AcHg3","formula_anonymous":"AB3","energy":-13.39503475,"energy_per_atom":-1.67437934375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.39503475,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010039,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.810000Z","spacegroup":194},{"id":"mp-1183111","created_at":"2022-09-04T14:41:48.154677Z","structure_string":"Ac6 Ho2\n1.0\n3.913504 -6.778388 0.000000\n3.913504 6.778388 0.000000\n0.000000 0.000000 6.337817\nAc Ho\n6 2\ndirect\n0.169737 0.339474 0.250000 Ac\n0.660526 0.830263 0.250000 Ac\n0.169737 0.830263 0.250000 Ac\n0.830263 0.660526 0.750000 Ac\n0.339474 0.169737 0.750000 Ac\n0.830263 0.169737 0.750000 Ac\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n","nsites":8,"nelements":2,"elements":["Ac","Ho"],"chemical_system":"Ac-Ho","density":8.355102594529876,"density_atomic":0.02379184323639712,"volume":336.2496936665033,"volume_molar":25.31178732208204,"formula_full":"Ac6 Ho2","formula_reduced":"Ac3Ho","formula_anonymous":"AB3","energy":-33.32750094,"energy_per_atom":-4.1659376175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.32750094,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0099748,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.661000Z","spacegroup":194},{"id":"mp-861867","created_at":"2022-09-04T14:42:09.075695Z","structure_string":"Ac2 I6\n1.0\n5.797535 -10.041626 0.000000\n5.797535 10.041626 0.000000\n0.000000 0.000000 4.390259\nAc I\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.211024 0.422049 0.250000 I\n0.577951 0.788976 0.250000 I\n0.211024 0.788976 0.250000 I\n0.788976 0.577951 0.750000 I\n0.422049 0.211024 0.750000 I\n0.788976 0.211024 0.750000 I\n","nsites":8,"nelements":2,"elements":["Ac","I"],"chemical_system":"Ac-I","density":3.9483019114656055,"density_atomic":0.015650291397742787,"volume":511.1725907642733,"volume_molar":38.47941617795412,"formula_full":"Ac2 I6","formula_reduced":"AcI3","formula_anonymous":"AB3","energy":-31.79445133,"energy_per_atom":-3.97430641625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.52045133,"band_gap":2.5886,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003982,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.744000Z","spacegroup":194},{"id":"mp-1183107","created_at":"2022-09-04T14:40:27.045160Z","structure_string":"Ac6 I2\n1.0\n3.961811 -6.862057 0.000000\n3.961811 6.862057 0.000000\n0.000000 0.000000 6.043381\nAc I\n6 2\ndirect\n0.168776 0.337551 0.250000 Ac\n0.662449 0.831224 0.250000 Ac\n0.168776 0.831224 0.250000 Ac\n0.831224 0.662449 0.750000 Ac\n0.337551 0.168776 0.750000 Ac\n0.831224 0.168776 0.750000 Ac\n0.333333 0.666667 0.750000 I\n0.666667 0.333333 0.250000 I\n","nsites":8,"nelements":2,"elements":["Ac","I"],"chemical_system":"Ac-I","density":8.165467581750958,"density_atomic":0.024346242404384478,"volume":328.5928015963273,"volume_molar":24.73540129919795,"formula_full":"Ac6 I2","formula_reduced":"Ac3I","formula_anonymous":"AB3","energy":-29.37834729,"energy_per_atom":-3.67229341125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.62034729,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014087,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.214000Z","spacegroup":194},{"id":"mp-1183096","created_at":"2022-09-04T14:39:41.256627Z","structure_string":"Ac3 I1\n1.0\n-2.724877 2.724877 5.676083\n2.724877 -2.724877 5.676083\n2.724877 2.724877 -5.676083\nAc I\n3 1\ndirect\n0.750000 0.250000 0.500000 Ac\n0.250000 0.750000 0.500000 Ac\n0.500000 0.500000 0.000000 Ac\n0.000000 0.000000 0.000000 I\n","nsites":4,"nelements":2,"elements":["Ac","I"],"chemical_system":"Ac-I","density":7.958048350154888,"density_atomic":0.023727799083017913,"volume":168.57863580203767,"volume_molar":25.38010684821616,"formula_full":"Ac3 I1","formula_reduced":"Ac3I","formula_anonymous":"AB3","energy":-14.82273533,"energy_per_atom":-3.7056838325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.44373533,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025804,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.006000Z","spacegroup":139},{"id":"mp-867297","created_at":"2022-09-04T14:41:06.523244Z","structure_string":"Ac2 In6\n1.0\n3.608194 -6.249576 0.000000\n3.608194 6.249576 0.000000\n0.000000 0.000000 5.251918\nAc In\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.149322 0.298644 0.250000 In\n0.701356 0.850678 0.250000 In\n0.149322 0.850678 0.250000 In\n0.850678 0.701356 0.750000 In\n0.298644 0.149322 0.750000 In\n0.850678 0.149322 0.750000 In\n","nsites":8,"nelements":2,"elements":["Ac","In"],"chemical_system":"Ac-In","density":8.012573086796971,"density_atomic":0.03377548708743256,"volume":236.85816815286435,"volume_molar":17.82991535965373,"formula_full":"Ac2 In6","formula_reduced":"AcIn3","formula_anonymous":"AB3","energy":-28.01234011,"energy_per_atom":-3.50154251375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.01234011,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009544,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.453000Z","spacegroup":194},{"id":"mp-985305","created_at":"2022-09-04T14:45:01.034407Z","structure_string":"Ac6 In2\n1.0\n3.859168 -6.684275 0.000000\n3.859168 6.684275 0.000000\n0.000000 0.000000 6.028339\nAc In\n6 2\ndirect\n0.175039 0.350078 0.250000 Ac\n0.649922 0.824961 0.250000 Ac\n0.175039 0.824961 0.250000 Ac\n0.824961 0.649922 0.750000 Ac\n0.350078 0.175039 0.750000 Ac\n0.824961 0.175039 0.750000 Ac\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n","nsites":8,"nelements":2,"elements":["Ac","In"],"chemical_system":"Ac-In","density":8.498009156620222,"density_atomic":0.02572256839559862,"volume":311.0109331605034,"volume_molar":23.411895217393788,"formula_full":"Ac6 In2","formula_reduced":"Ac3In","formula_anonymous":"AB3","energy":-31.51158554,"energy_per_atom":-3.9389481925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.51158554,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0531801,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.001000Z","spacegroup":194},{"id":"mp-1183049","created_at":"2022-09-04T14:45:32.108148Z","structure_string":"Ac1 La1\n1.0\n1.963389 -3.400690 0.000000\n1.963389 3.400690 0.000000\n0.000000 0.000000 6.277809\nAc La\n1 1\ndirect\n0.000000 0.000000 0.500000 Ac\n0.666667 0.333333 0.000000 La\n","nsites":2,"nelements":2,"elements":["Ac","La"],"chemical_system":"Ac-La","density":7.247805121455094,"density_atomic":0.023857146851363028,"volume":83.8323212939327,"volume_molar":25.2425019534804,"formula_full":"Ac1 La1","formula_reduced":"AcLa","formula_anonymous":"AB","energy":-8.93681605,"energy_per_atom":-4.468408025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.93681605,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0393586,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.539000Z","spacegroup":187},{"id":"mp-1183095","created_at":"2022-09-04T14:40:43.729833Z","structure_string":"Ac3 La1\n1.0\n-2.799516 2.799516 5.478356\n2.799516 -2.799516 5.478356\n2.799516 2.799516 -5.478356\nAc La\n3 1\ndirect\n0.750000 0.250000 0.500000 Ac\n0.250000 0.750000 0.500000 Ac\n0.500000 0.500000 0.000000 Ac\n0.000000 0.000000 0.000000 La\n","nsites":4,"nelements":2,"elements":["Ac","La"],"chemical_system":"Ac-La","density":7.927508775733786,"density_atomic":0.023290769722564362,"volume":171.74185514894145,"volume_molar":25.856340652261405,"formula_full":"Ac3 La1","formula_reduced":"Ac3La","formula_anonymous":"AB3","energy":-17.14726971,"energy_per_atom":-4.2868174275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.14726971,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0581397,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.559000Z","spacegroup":139},{"id":"mp-985059","created_at":"2022-09-04T14:47:36.298434Z","structure_string":"Ac1 La3\n1.0\n-2.688000 2.688000 5.395620\n2.688000 -2.688000 5.395620\n2.688000 2.688000 -5.395620\nAc La\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n","nsites":4,"nelements":2,"elements":["Ac","La"],"chemical_system":"Ac-La","density":6.854626602945393,"density_atomic":0.025650752805536282,"volume":155.94084237312003,"volume_molar":23.477442575097534,"formula_full":"Ac1 La3","formula_reduced":"AcLa3","formula_anonymous":"AB3","energy":-18.82254721,"energy_per_atom":-4.7056368025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.82254721,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0075012,"is_theoretical":true,"updated_at":"2021-11-28T01:38:18.569000Z","spacegroup":139},{"id":"mp-1183051","created_at":"2022-09-04T14:46:55.357850Z","structure_string":"Ac2 La6\n1.0\n3.819021 -6.614738 0.000000\n3.819021 6.614738 0.000000\n0.000000 0.000000 6.257784\nAc La\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.163489 0.326978 0.250000 La\n0.673022 0.836511 0.250000 La\n0.163489 0.836511 0.250000 La\n0.836511 0.673022 0.750000 La\n0.326978 0.163489 0.750000 La\n0.836511 0.163489 0.750000 La\n","nsites":8,"nelements":2,"elements":["Ac","La"],"chemical_system":"Ac-La","density":6.761739198395909,"density_atomic":0.025303158109156638,"volume":316.16606770934976,"volume_molar":23.799957041017436,"formula_full":"Ac2 La6","formula_reduced":"AcLa3","formula_anonymous":"AB3","energy":-37.43266397,"energy_per_atom":-4.67908299625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.43266397,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1515649,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.931000Z","spacegroup":194},{"id":"mp-985540","created_at":"2022-09-04T14:39:31.539657Z","structure_string":"Ac6 La2\n1.0\n3.958102 -6.855633 0.000000\n3.958102 6.855633 0.000000\n0.000000 0.000000 6.392177\nAc La\n6 2\ndirect\n0.832043 0.167957 0.750000 Ac\n0.335915 0.167957 0.750000 Ac\n0.832043 0.664085 0.750000 Ac\n0.167957 0.832043 0.250000 Ac\n0.664085 0.832043 0.250000 Ac\n0.167957 0.335915 0.250000 Ac\n0.666667 0.333333 0.250000 La\n0.333333 0.666667 0.750000 La\n","nsites":8,"nelements":2,"elements":["Ac","La"],"chemical_system":"Ac-La","density":7.849275034225276,"density_atomic":0.02306092146763882,"volume":346.9072131929475,"volume_molar":26.11405085634074,"formula_full":"Ac6 La2","formula_reduced":"Ac3La","formula_anonymous":"AB3","energy":-34.29546389,"energy_per_atom":-4.28693298625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.29546389,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.5002934,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.108000Z","spacegroup":194}]}