{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=10166","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=10164","results":[{"id":"mp-1039650","created_at":"2022-09-04T14:42:45.140736Z","structure_string":"Rb1 Hf1 Mg30 O31\n1.0\n8.733240 0.000000 0.000000\n0.000000 8.733240 0.000000\n0.000000 0.000000 8.608691\nRb Hf Mg O\n1 1 30 31\ndirect\n0.000000 0.000000 0.019239 Rb\n0.500000 0.500000 0.999492 Hf\n0.500000 0.000000 0.998193 Mg\n0.000000 0.500000 0.998193 Mg\n0.000000 0.000000 0.490079 Mg\n0.500000 0.000000 0.502251 Mg\n0.000000 0.500000 0.502251 Mg\n0.500000 0.500000 0.500266 Mg\n0.245402 0.245402 0.999649 Mg\n0.754598 0.245402 0.999649 Mg\n0.245402 0.754598 0.999649 Mg\n0.754598 0.754598 0.999649 Mg\n0.248198 0.248198 0.500426 Mg\n0.751802 0.248198 0.500426 Mg\n0.248198 0.751802 0.500426 Mg\n0.751802 0.751802 0.500426 Mg\n0.258363 0.000000 0.256096 Mg\n0.741637 0.000000 0.256096 Mg\n0.244622 0.500000 0.256402 Mg\n0.755378 0.500000 0.256402 Mg\n0.249443 0.000000 0.747123 Mg\n0.750557 0.000000 0.747123 Mg\n0.242602 0.500000 0.743550 Mg\n0.757398 0.500000 0.743550 Mg\n0.000000 0.258363 0.256096 Mg\n0.500000 0.244622 0.256402 Mg\n0.000000 0.741637 0.256096 Mg\n0.500000 0.755378 0.256402 Mg\n0.000000 0.249443 0.747123 Mg\n0.500000 0.242602 0.743550 Mg\n0.000000 0.750557 0.747123 Mg\n0.500000 0.757398 0.743550 Mg\n0.500000 0.000000 0.254457 O\n0.000000 0.500000 0.254457 O\n0.500000 0.500000 0.246575 O\n0.000000 0.000000 0.723922 O\n0.500000 0.000000 0.746452 O\n0.000000 0.500000 0.746452 O\n0.500000 0.500000 0.753283 O\n0.252741 0.252741 0.248204 O\n0.747259 0.252741 0.248204 O\n0.252741 0.747259 0.248204 O\n0.747259 0.747259 0.248204 O\n0.250871 0.250871 0.751582 O\n0.749129 0.250871 0.751582 O\n0.250871 0.749129 0.751582 O\n0.749129 0.749129 0.751582 O\n0.279315 0.000000 0.999082 O\n0.720685 0.000000 0.999082 O\n0.259057 0.500000 0.999960 O\n0.740943 0.500000 0.999960 O\n0.258486 0.000000 0.501585 O\n0.741514 0.000000 0.501585 O\n0.252921 0.500000 0.499952 O\n0.747079 0.500000 0.499952 O\n0.000000 0.279315 0.999082 O\n0.500000 0.259057 0.999960 O\n0.000000 0.720685 0.999082 O\n0.500000 0.740943 0.999960 O\n0.000000 0.258486 0.501585 O\n0.500000 0.252921 0.499952 O\n0.000000 0.741514 0.501585 O\n0.500000 0.747079 0.499952 O\n","nsites":63,"nelements":4,"elements":["Rb","Hf","Mg","O"],"chemical_system":"Hf-Mg-O-Rb","density":3.7660137489405354,"density_atomic":0.09595169243100567,"volume":656.5803937778411,"volume_molar":6.276221510454582,"formula_full":"Rb1 Hf1 Mg30 O31","formula_reduced":"RbHfMg30O31","formula_anonymous":"ABC30D31","energy":-393.12191652,"energy_per_atom":-6.240030420952381,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-371.82491652,"band_gap":0.0197000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003123,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.935000Z","spacegroup":99},{"id":"mp-1033983","created_at":"2022-09-04T14:42:44.092294Z","structure_string":"Rb1 Hf1 Mg14 O15\n1.0\n8.706708 0.000000 0.000000\n0.000000 8.891377 0.000000\n0.000000 0.000000 4.431368\nRb Hf Mg O\n1 1 14 15\ndirect\n0.045764 0.000000 -0.000000 Rb\n0.506373 0.500000 -0.000000 Hf\n0.992779 0.500000 -0.000000 Mg\n0.493630 0.000000 -0.000000 Mg\n0.993945 0.251063 0.500000 Mg\n0.993945 0.748937 0.500000 Mg\n0.502137 0.240817 0.500000 Mg\n0.502137 0.759183 0.500000 Mg\n0.266206 0.000000 0.500000 Mg\n0.238280 0.500000 0.500000 Mg\n0.747073 0.000000 0.500000 Mg\n0.759174 0.500000 0.500000 Mg\n0.246722 0.262046 -0.000000 Mg\n0.246722 0.737954 -0.000000 Mg\n0.757747 0.236073 -0.000000 Mg\n0.757747 0.763927 0.000000 Mg\n0.256288 0.500000 -0.000000 O\n0.724597 0.000000 -0.000000 O\n0.747470 0.500000 -0.000000 O\n0.248957 0.254850 0.500000 O\n0.248957 0.745150 0.500000 O\n0.746248 0.254378 0.500000 O\n0.746248 0.745622 0.500000 O\n0.972844 0.000000 0.500000 O\n0.998602 0.500000 0.500000 O\n0.504770 0.000000 0.500000 O\n0.501917 0.500000 0.500000 O\n0.997439 0.279047 -0.000000 O\n0.997439 0.720953 0.000000 O\n0.503921 0.260003 -0.000000 O\n0.503921 0.739997 0.000000 O\n","nsites":31,"nelements":4,"elements":["Rb","Hf","Mg","O"],"chemical_system":"Hf-Mg-O-Rb","density":4.086422764169492,"density_atomic":0.09036512881201422,"volume":343.0526842327534,"volume_molar":6.664230814662817,"formula_full":"Rb1 Hf1 Mg14 O15","formula_reduced":"RbHfMg14O15","formula_anonymous":"ABC14D15","energy":-190.25591207,"energy_per_atom":-6.137287486129032,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-179.95091207,"band_gap":0.3994,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.7334425,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.997000Z","spacegroup":25},{"id":"mp-1033722","created_at":"2022-09-04T14:40:06.994129Z","structure_string":"Rb1 Hf1 Mg6 O7\n1.0\n12.568264 -0.000000 0.000000\n-0.000000 4.229077 0.000000\n0.000000 0.000000 4.229077\nRb Hf Mg O\n1 1 6 7\ndirect\n0.031941 0.000000 -0.000000 Rb\n0.535508 0.000000 -0.000000 Hf\n0.902297 0.500000 0.500000 Mg\n0.531924 0.500000 0.500000 Mg\n0.331618 -0.000000 0.500000 Mg\n0.744777 0.000000 0.500000 Mg\n0.331618 0.500000 0.000000 Mg\n0.744777 0.500000 -0.000000 Mg\n0.692322 0.000000 -0.000000 O\n0.360100 0.500000 0.500000 O\n0.702283 0.500000 0.500000 O\n0.896619 0.000000 0.500000 O\n0.523799 0.000000 0.500000 O\n0.896619 0.500000 -0.000000 O\n0.523799 0.500000 -0.000000 O\n","nsites":15,"nelements":4,"elements":["Rb","Hf","Mg","O"],"chemical_system":"Hf-Mg-O-Rb","density":3.854544311023623,"density_atomic":0.06673056152396296,"volume":224.78456133796348,"volume_molar":9.024561793680466,"formula_full":"Rb1 Hf1 Mg6 O7","formula_reduced":"RbHfMg6O7","formula_anonymous":"ABC6D7","energy":-91.78802867,"energy_per_atom":-6.119201911333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.97902867,"band_gap":0.6831,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.3047437,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.569000Z","spacegroup":99},{"id":"mp-1039669","created_at":"2022-09-04T14:40:20.008126Z","structure_string":"Rb1 Hf1 Mg30 O31\n1.0\n8.692338 0.000000 0.000000\n0.000000 8.699634 0.000000\n0.000000 0.000000 8.702560\nRb Hf Mg O\n1 1 30 31\ndirect\n0.000000 0.000000 0.000213 Rb\n0.500000 0.500000 0.000535 Hf\n0.500000 0.000000 0.003160 Mg\n0.000000 0.500000 0.000104 Mg\n0.000000 0.000000 0.499695 Mg\n0.500000 0.000000 0.498680 Mg\n0.000000 0.500000 0.499928 Mg\n0.500000 0.500000 0.499142 Mg\n0.754507 0.754540 0.999797 Mg\n0.245493 0.754540 0.999797 Mg\n0.754507 0.245460 0.999797 Mg\n0.245493 0.245460 0.999797 Mg\n0.751540 0.751708 0.500132 Mg\n0.248460 0.751708 0.500132 Mg\n0.751540 0.248292 0.500132 Mg\n0.248460 0.248292 0.500132 Mg\n0.750964 0.000000 0.745581 Mg\n0.249036 0.000000 0.745581 Mg\n0.757477 0.500000 0.743822 Mg\n0.242523 0.500000 0.743822 Mg\n0.749463 0.000000 0.254083 Mg\n0.250537 0.000000 0.254083 Mg\n0.757107 0.500000 0.256347 Mg\n0.242893 0.500000 0.256347 Mg\n0.000000 0.747999 0.746063 Mg\n0.500000 0.755332 0.743170 Mg\n0.000000 0.252001 0.746063 Mg\n0.500000 0.244668 0.743170 Mg\n0.000000 0.748685 0.254030 Mg\n0.500000 0.756305 0.256081 Mg\n0.000000 0.251315 0.254030 Mg\n0.500000 0.243695 0.256081 Mg\n0.000000 0.000000 0.721076 O\n0.000000 0.500000 0.745896 O\n0.500000 0.500000 0.755342 O\n0.000000 0.000000 0.278713 O\n0.500000 0.000000 0.253938 O\n0.000000 0.500000 0.254055 O\n0.500000 0.500000 0.245128 O\n0.750251 0.747971 0.751716 O\n0.249749 0.747971 0.751716 O\n0.750251 0.252029 0.751716 O\n0.249749 0.252029 0.751716 O\n0.748887 0.749297 0.248173 O\n0.251113 0.749297 0.248173 O\n0.748887 0.250703 0.248173 O\n0.251113 0.250703 0.248173 O\n0.720441 0.000000 0.999602 O\n0.279559 0.000000 0.999602 O\n0.740858 0.500000 0.999705 O\n0.259142 0.500000 0.999705 O\n0.744784 0.000000 0.499054 O\n0.255216 0.000000 0.499054 O\n0.746952 0.500000 0.500171 O\n0.253048 0.500000 0.500171 O\n0.000000 0.720449 0.999841 O\n0.500000 0.740495 0.001266 O\n0.000000 0.279551 0.999841 O\n0.500000 0.259505 0.001266 O\n0.000000 0.743926 0.500122 O\n0.500000 0.745748 0.498622 O\n0.000000 0.256074 0.500122 O\n0.500000 0.254252 0.498622 O\n","nsites":63,"nelements":4,"elements":["Rb","Hf","Mg","O"],"chemical_system":"Hf-Mg-O-Rb","density":3.757380677819196,"density_atomic":0.09573173630758398,"volume":658.0889726849033,"volume_molar":6.2906419462099725,"formula_full":"Rb1 Hf1 Mg30 O31","formula_reduced":"RbHfMg30O31","formula_anonymous":"ABC30D31","energy":-392.6188553500001,"energy_per_atom":-6.232045323015875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-371.32185535,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0044782,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.913000Z","spacegroup":25},{"id":"mp-1034206","created_at":"2022-09-04T14:40:20.673350Z","structure_string":"Rb1 Hf1 Mg14 O15\n1.0\n4.141197 0.000000 0.000000\n0.000000 8.436653 0.000000\n0.000000 0.000000 10.791312\nRb Hf Mg O\n1 1 14 15\ndirect\n0.000000 0.000000 0.934126 Rb\n0.000000 0.500000 0.992112 Hf\n0.000000 0.000000 0.477207 Mg\n0.000000 0.500000 0.470906 Mg\n0.500000 0.764808 0.081687 Mg\n0.500000 0.235192 0.081687 Mg\n0.500000 0.745155 0.483436 Mg\n0.500000 0.254845 0.483436 Mg\n0.500000 0.000000 0.669933 Mg\n0.500000 0.500000 0.721836 Mg\n0.500000 0.000000 0.270930 Mg\n0.500000 0.500000 0.264082 Mg\n0.000000 0.758247 0.681940 Mg\n0.000000 0.241753 0.681940 Mg\n0.000000 0.752161 0.272727 Mg\n0.000000 0.247839 0.272727 Mg\n0.000000 0.000000 0.679612 O\n0.000000 0.000000 0.291822 O\n0.000000 0.500000 0.285089 O\n0.500000 0.753996 0.688988 O\n0.500000 0.246004 0.688988 O\n0.500000 0.745887 0.274486 O\n0.500000 0.254113 0.274486 O\n0.500000 0.000000 0.080271 O\n0.500000 0.500000 0.063477 O\n0.500000 0.000000 0.481606 O\n0.500000 0.500000 0.498399 O\n0.000000 0.718748 0.063133 O\n0.000000 0.281252 0.063133 O\n0.000000 0.744516 0.487898 O\n0.000000 0.255484 0.487898 O\n","nsites":31,"nelements":4,"elements":["Rb","Hf","Mg","O"],"chemical_system":"Hf-Mg-O-Rb","density":3.7182089335647968,"density_atomic":0.08222263055541966,"volume":377.02515463921327,"volume_molar":7.324188875155191,"formula_full":"Rb1 Hf1 Mg14 O15","formula_reduced":"RbHfMg14O15","formula_anonymous":"ABC14D15","energy":-192.73216695,"energy_per_atom":-6.217166675806451,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.42716695,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1684276,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.895000Z","spacegroup":25},{"id":"mp-1033679","created_at":"2022-09-04T14:39:59.269866Z","structure_string":"Rb1 Hf1 Mg6 O7\n1.0\n4.111352 0.000000 0.000000\n0.000000 4.111352 0.000000\n0.000000 0.000000 13.057739\nRb Hf Mg O\n1 1 6 7\ndirect\n0.000000 0.000000 0.097912 Rb\n0.500000 0.500000 0.941004 Hf\n0.000000 0.000000 0.556097 Mg\n0.500000 0.500000 0.561422 Mg\n0.000000 0.500000 0.365193 Mg\n0.000000 0.500000 0.751103 Mg\n0.500000 0.000000 0.365193 Mg\n0.500000 0.000000 0.751103 Mg\n0.000000 0.000000 0.707341 O\n0.500000 0.500000 0.085636 O\n0.500000 0.500000 0.718083 O\n0.000000 0.500000 0.903870 O\n0.000000 0.500000 0.521086 O\n0.500000 0.000000 0.903870 O\n0.500000 0.000000 0.521086 O\n","nsites":15,"nelements":4,"elements":["Rb","Hf","Mg","O"],"chemical_system":"Hf-Mg-O-Rb","density":3.925565392560475,"density_atomic":0.06796009120855875,"volume":220.71777322910555,"volume_molar":8.861289990796223,"formula_full":"Rb1 Hf1 Mg6 O7","formula_reduced":"RbHfMg6O7","formula_anonymous":"ABC6D7","energy":-93.85800843,"energy_per_atom":-6.2572005619999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.04900843,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0340458,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.070000Z","spacegroup":99},{"id":"mp-1099228","created_at":"2022-09-04T14:47:22.618784Z","structure_string":"Rb1 Hf1 Mg14 O15\n1.0\n4.177647 0.000000 0.000000\n0.000000 8.417795 0.000000\n0.000000 0.000000 10.789614\nRb Hf Mg O\n1 1 14 15\ndirect\n0.000000 0.000000 0.936440 Rb\n0.000000 0.500000 0.989857 Hf\n0.000000 0.000000 0.474048 Mg\n0.000000 0.500000 0.460451 Mg\n0.500000 0.766497 0.077392 Mg\n0.500000 0.233503 0.077392 Mg\n0.500000 0.744417 0.481560 Mg\n0.500000 0.255583 0.481560 Mg\n0.500000 0.000000 0.672275 Mg\n0.500000 0.500000 0.724159 Mg\n0.500000 0.000000 0.268317 Mg\n0.500000 0.500000 0.270857 Mg\n0.000000 0.747749 0.684098 Mg\n0.000000 0.252251 0.684098 Mg\n0.000000 0.753150 0.266452 Mg\n0.000000 0.246850 0.266452 Mg\n0.000000 0.500000 0.792900 O\n0.000000 0.000000 0.289543 O\n0.000000 0.500000 0.274188 O\n0.500000 0.741471 0.684482 O\n0.500000 0.258529 0.684482 O\n0.500000 0.746066 0.269689 O\n0.500000 0.253934 0.269689 O\n0.500000 0.000000 0.079321 O\n0.500000 0.500000 0.034410 O\n0.500000 0.000000 0.481746 O\n0.500000 0.500000 0.476323 O\n0.000000 0.718853 0.063394 O\n0.000000 0.281147 0.063394 O\n0.000000 0.742991 0.485517 O\n0.000000 0.257009 0.485517 O\n","nsites":31,"nelements":4,"elements":["Rb","Hf","Mg","O"],"chemical_system":"Hf-Mg-O-Rb","density":3.6946059317314632,"density_atomic":0.08170068546453944,"volume":379.4337810477114,"volume_molar":7.370979479252705,"formula_full":"Rb1 Hf1 Mg14 O15","formula_reduced":"RbHfMg14O15","formula_anonymous":"ABC14D15","energy":-192.02053122,"energy_per_atom":-6.194210684516129,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-181.71553122,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016986,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.142000Z","spacegroup":25},{"id":"mp-1034945","created_at":"2022-09-04T14:48:14.843691Z","structure_string":"Rb1 Hf1 Mg14 O15\n1.0\n12.451267 0.000000 0.000000\n0.000000 7.835375 0.000000\n0.000000 0.000000 4.172773\nRb Hf Mg O\n1 1 14 15\ndirect\n0.063820 0.000000 0.000000 Rb\n0.038700 0.500000 0.000000 Hf\n0.533527 0.000000 0.000000 Mg\n0.542568 0.500000 0.000000 Mg\n0.924151 0.246740 0.500000 Mg\n0.924151 0.753260 0.500000 Mg\n0.481391 0.262480 0.500000 Mg\n0.481391 0.737520 0.500000 Mg\n0.322394 0.000000 0.500000 Mg\n0.230350 0.500000 0.500000 Mg\n0.751703 0.000000 0.500000 Mg\n0.702325 0.500000 0.500000 Mg\n0.313952 0.262003 0.000000 Mg\n0.313952 0.737997 -0.000000 Mg\n0.759901 0.257904 0.000000 Mg\n0.759901 0.742096 -0.000000 Mg\n0.210290 0.500000 0.000000 O\n0.703092 0.000000 0.000000 O\n0.702688 0.500000 0.000000 O\n0.315161 0.276053 0.500000 O\n0.315161 0.723947 0.500000 O\n0.762019 0.261459 0.500000 O\n0.762019 0.738541 0.500000 O\n0.919844 0.000000 0.500000 O\n0.047899 0.500000 0.500000 O\n0.495924 0.000000 0.500000 O\n0.541785 0.500000 0.500000 O\n0.932854 0.307867 0.000000 O\n0.932854 0.692133 -0.000000 O\n0.482115 0.259915 0.000000 O\n0.482115 0.740085 -0.000000 O\n","nsites":31,"nelements":4,"elements":["Rb","Hf","Mg","O"],"chemical_system":"Hf-Mg-O-Rb","density":3.4435470758441222,"density_atomic":0.07614889428654878,"volume":407.097178369351,"volume_molar":7.908375842384062,"formula_full":"Rb1 Hf1 Mg14 O15","formula_reduced":"RbHfMg14O15","formula_anonymous":"ABC14D15","energy":-192.80464015,"energy_per_atom":-6.219504520967742,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.49964015,"band_gap":1.6565000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.3270245,"is_theoretical":true,"updated_at":"2021-11-28T01:40:00.017000Z","spacegroup":25},{"id":"mp-1039666","created_at":"2022-09-04T14:43:35.379549Z","structure_string":"Rb1 Hf1 Mg30 O31\n1.0\n8.655704 0.000000 0.000000\n0.000000 8.678697 0.000000\n0.000000 0.000000 8.681092\nRb Hf Mg O\n1 1 30 31\ndirect\n0.002611 0.000000 0.000000 Rb\n0.021655 0.000000 0.500000 Hf\n0.998884 0.500000 0.000000 Mg\n0.996603 0.500000 0.500000 Mg\n0.502231 0.000000 0.000000 Mg\n0.501373 0.000000 0.500000 Mg\n0.500658 0.500000 0.000000 Mg\n0.501668 0.500000 0.500000 Mg\n0.998806 0.260572 0.246663 Mg\n0.998806 0.260572 0.753337 Mg\n0.998806 0.739428 0.246663 Mg\n0.998806 0.739428 0.753337 Mg\n0.500428 0.252160 0.249290 Mg\n0.500428 0.252160 0.750710 Mg\n0.500428 0.747840 0.249290 Mg\n0.500428 0.747840 0.750710 Mg\n0.262953 0.000000 0.242378 Mg\n0.262953 0.000000 0.757622 Mg\n0.251586 0.500000 0.247535 Mg\n0.251586 0.500000 0.752465 Mg\n0.742432 0.000000 0.249639 Mg\n0.742432 0.000000 0.750361 Mg\n0.747676 0.500000 0.249516 Mg\n0.747676 0.500000 0.750484 Mg\n0.254751 0.256551 0.000000 Mg\n0.253793 0.258208 0.500000 Mg\n0.254751 0.743449 0.000000 Mg\n0.253793 0.741792 0.500000 Mg\n0.745836 0.253742 0.000000 Mg\n0.747303 0.251451 0.500000 Mg\n0.745836 0.746258 0.000000 Mg\n0.747303 0.748549 0.500000 Mg\n0.281553 0.000000 0.000000 O\n0.255883 0.500000 0.000000 O\n0.250466 0.500000 0.500000 O\n0.722251 0.000000 0.000000 O\n0.747473 0.000000 0.500000 O\n0.743800 0.500000 0.000000 O\n0.747324 0.500000 0.500000 O\n0.249382 0.252430 0.245588 O\n0.249382 0.252430 0.754412 O\n0.249382 0.747570 0.245588 O\n0.249382 0.747570 0.754412 O\n0.749659 0.250016 0.249436 O\n0.749659 0.250016 0.750564 O\n0.749659 0.749984 0.249436 O\n0.749659 0.749984 0.750564 O\n0.992007 0.000000 0.274636 O\n0.992007 0.000000 0.725364 O\n0.999035 0.500000 0.256927 O\n0.999035 0.500000 0.743073 O\n0.500408 0.000000 0.257418 O\n0.500408 0.000000 0.742582 O\n0.499944 0.500000 0.252676 O\n0.499944 0.500000 0.747324 O\n0.998509 0.279534 0.000000 O\n0.993978 0.255943 0.500000 O\n0.998509 0.720466 0.000000 O\n0.993978 0.744057 0.500000 O\n0.500627 0.255870 0.000000 O\n0.500394 0.252148 0.500000 O\n0.500627 0.744130 0.000000 O\n0.500394 0.747852 0.500000 O\n","nsites":63,"nelements":4,"elements":["Rb","Hf","Mg","O"],"chemical_system":"Hf-Mg-O-Rb","density":3.7917398248222343,"density_atomic":0.09660714954959743,"volume":652.1256479848445,"volume_molar":6.233638802176102,"formula_full":"Rb1 Hf1 Mg30 O31","formula_reduced":"RbHfMg30O31","formula_anonymous":"ABC30D31","energy":-393.34965712,"energy_per_atom":-6.243645351111112,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-372.05265712,"band_gap":0.5844000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0031115,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.157000Z","spacegroup":25},{"id":"mp-1034045","created_at":"2022-09-04T14:46:15.257143Z","structure_string":"Rb1 Hf1 Mg14 O15\n1.0\n9.069294 0.000000 0.000000\n0.000000 8.725066 0.000000\n0.000000 0.000000 4.370698\nRb Hf Mg O\n1 1 14 15\ndirect\n0.032662 0.000000 0.000000 Rb\n0.495669 0.500000 0.000000 Hf\n0.984357 0.500000 0.000000 Mg\n0.511336 0.000000 0.000000 Mg\n-0.010323 0.245236 0.500000 Mg\n-0.010323 0.754764 0.500000 Mg\n0.506587 0.245469 0.500000 Mg\n0.506587 0.754531 0.500000 Mg\n0.279931 0.000000 0.500000 Mg\n0.231628 0.500000 0.500000 Mg\n0.741483 0.000000 0.500000 Mg\n0.757049 0.500000 0.500000 Mg\n0.246103 0.246011 0.000000 Mg\n0.246103 0.753989 -0.000000 Mg\n0.760093 0.241679 0.000000 Mg\n0.760093 0.758321 0.000000 Mg\n0.300168 0.000000 0.000000 O\n0.725179 0.000000 0.000000 O\n0.740871 0.500000 0.000000 O\n0.244649 0.235296 0.500000 O\n0.244649 0.764704 0.500000 O\n0.742700 0.254564 0.500000 O\n0.742700 0.745436 0.500000 O\n0.953008 0.000000 0.500000 O\n0.993756 0.500000 0.500000 O\n0.507970 0.000000 0.500000 O\n0.523477 0.500000 0.500000 O\n-0.005597 0.279654 0.000000 O\n-0.005597 0.720346 -0.000000 O\n0.501516 0.261210 0.000000 O\n0.501516 0.738790 -0.000000 O\n","nsites":31,"nelements":4,"elements":["Rb","Hf","Mg","O"],"chemical_system":"Hf-Mg-O-Rb","density":4.0533220936665915,"density_atomic":0.08963315698081127,"volume":345.85415759300435,"volume_molar":6.718652965988048,"formula_full":"Rb1 Hf1 Mg14 O15","formula_reduced":"RbHfMg14O15","formula_anonymous":"ABC14D15","energy":-190.14242456,"energy_per_atom":-6.133626598709677,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-179.83742456,"band_gap":3.8117,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:30.552000Z","spacegroup":25},{"id":"mp-1039707","created_at":"2022-09-04T14:40:54.448214Z","structure_string":"Rb1 Hf1 Mg30 O31\n1.0\n8.596859 0.000000 0.000000\n0.000000 8.719984 0.000000\n0.000000 0.000000 8.766962\nRb Hf Mg O\n1 1 30 31\ndirect\n0.020367 0.000000 0.000000 Rb\n0.998797 0.000000 0.500000 Hf\n0.998494 0.500000 0.000000 Mg\n0.999806 0.500000 0.500000 Mg\n0.490571 0.000000 0.000000 Mg\n0.502124 0.000000 0.500000 Mg\n0.501998 0.500000 0.000000 Mg\n0.500157 0.500000 0.500000 Mg\n0.999575 0.259994 0.244586 Mg\n0.999575 0.259994 0.755414 Mg\n0.999575 0.740006 0.244586 Mg\n0.999575 0.740006 0.755414 Mg\n0.500407 0.250787 0.248159 Mg\n0.500407 0.250787 0.751841 Mg\n0.500407 0.749213 0.248159 Mg\n0.500407 0.749213 0.751841 Mg\n0.262079 0.000000 0.250729 Mg\n0.262079 0.000000 0.749271 Mg\n0.251097 0.500000 0.249843 Mg\n0.251097 0.500000 0.750157 Mg\n0.742073 0.000000 0.242438 Mg\n0.742073 0.000000 0.757562 Mg\n0.748745 0.500000 0.248161 Mg\n0.748745 0.500000 0.751839 Mg\n0.255775 0.260162 0.000000 Mg\n0.255630 0.257127 0.500000 Mg\n0.255775 0.739838 0.000000 Mg\n0.255630 0.742873 0.500000 Mg\n0.747519 0.252294 0.000000 Mg\n0.744161 0.256073 0.500000 Mg\n0.747519 0.747706 0.000000 Mg\n0.744161 0.743927 0.500000 Mg\n0.248227 0.000000 0.500000 O\n0.254957 0.500000 0.000000 O\n0.249460 0.500000 0.500000 O\n0.723958 0.000000 0.000000 O\n0.752154 0.000000 0.500000 O\n0.745920 0.500000 0.000000 O\n0.750477 0.500000 0.500000 O\n0.248012 0.249959 0.252432 O\n0.248012 0.249959 0.747568 O\n0.248012 0.750041 0.252432 O\n0.248012 0.750041 0.747568 O\n0.751700 0.248462 0.250798 O\n0.751700 0.248462 0.749202 O\n0.751700 0.751538 0.250798 O\n0.751700 0.751538 0.749202 O\n0.997331 0.000000 0.272434 O\n0.997331 0.000000 0.727566 O\n0.999988 0.500000 0.257433 O\n0.999988 0.500000 0.742567 O\n0.501934 0.000000 0.259831 O\n0.501934 0.000000 0.740169 O\n0.499873 0.500000 0.252263 O\n0.499873 0.500000 0.747737 O\n0.999054 0.278903 0.000000 O\n0.999973 0.246598 0.500000 O\n0.999054 0.721097 0.000000 O\n0.999973 0.753402 0.500000 O\n0.501703 0.256790 0.000000 O\n0.499943 0.249478 0.500000 O\n0.501703 0.743210 0.000000 O\n0.499943 0.750522 0.500000 O\n","nsites":63,"nelements":4,"elements":["Rb","Hf","Mg","O"],"chemical_system":"Hf-Mg-O-Rb","density":3.762401988731568,"density_atomic":0.09585967085917713,"volume":657.2106855295831,"volume_molar":6.282246440055944,"formula_full":"Rb1 Hf1 Mg30 O31","formula_reduced":"RbHfMg30O31","formula_anonymous":"ABC30D31","energy":-393.25391925,"energy_per_atom":-6.242125702380953,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-371.95691925,"band_gap":0.0272000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004058,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.712000Z","spacegroup":25},{"id":"mp-1209493","created_at":"2022-09-04T14:41:01.215969Z","structure_string":"Rb8 Hf1 Mo6 O24\n1.0\n9.702791 5.147052 0.000000\n-9.702791 5.147052 0.000000\n0.000000 2.575730 7.726347\nRb Hf Mo O\n8 1 6 24\ndirect\n0.665144 0.334856 0.500000 Rb\n0.334856 0.665144 0.500000 Rb\n0.480955 0.133948 0.109861 Rb\n0.519045 0.866052 0.890139 Rb\n0.866052 0.519045 0.890139 Rb\n0.133948 0.480955 0.109861 Rb\n0.786901 0.786901 0.645143 Rb\n0.213099 0.213099 0.354857 Rb\n0.000000 0.000000 0.000000 Hf\n0.617003 0.617003 0.204994 Mo\n0.382997 0.382997 0.795006 Mo\n0.741576 0.051892 0.285070 Mo\n0.258424 0.948108 0.714930 Mo\n0.948108 0.258424 0.714930 Mo\n0.051892 0.741576 0.285070 Mo\n0.236959 0.783200 0.227126 O\n0.763041 0.216800 0.772874 O\n0.216800 0.763040 0.772874 O\n0.783200 0.236960 0.227126 O\n0.587727 0.933402 0.202416 O\n0.412273 0.066598 0.797584 O\n0.066598 0.412273 0.797584 O\n0.933402 0.587727 0.202416 O\n0.681783 0.972358 0.514449 O\n0.318217 0.027642 0.485551 O\n0.027642 0.318217 0.485551 O\n0.972358 0.681783 0.514449 O\n0.912382 0.060904 0.188044 O\n0.087618 0.939096 0.811956 O\n0.939096 0.087618 0.811956 O\n0.060904 0.912382 0.188044 O\n0.445125 0.593880 0.189561 O\n0.554875 0.406120 0.810439 O\n0.406120 0.554875 0.810439 O\n0.593880 0.445125 0.189561 O\n0.650177 0.650177 0.404976 O\n0.349823 0.349823 0.595024 O\n0.789034 0.789034 0.031902 O\n0.210966 0.210966 0.968098 O\n","nsites":39,"nelements":4,"elements":["Rb","Hf","Mo","O"],"chemical_system":"Hf-Mo-O-Rb","density":3.920163531956898,"density_atomic":0.05053650105513383,"volume":771.7194341858402,"volume_molar":11.916418102294067,"formula_full":"Rb8 Hf1 Mo6 O24","formula_reduced":"Rb8Hf(MoO4)6","formula_anonymous":"AB6C8D24","energy":-291.81537269,"energy_per_atom":-7.482445453589744,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-256.11537269,"band_gap":3.9993,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0071798,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.197000Z","spacegroup":12}]}