{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-elements&page=10188","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-elements&page=10186","results":[{"id":"mp-559274","created_at":"2022-09-04T14:44:27.476932Z","structure_string":"Ba42 Ge4 O10\n1.0\n0.000000 10.649597 10.649597\n10.649597 0.000000 10.649597\n10.649597 10.649597 0.000000\nBa Ge O\n42 4 10\ndirect\n0.954221 0.397828 0.693729 Ba\n0.873862 0.126138 0.126138 Ba\n0.750000 0.750000 0.750000 Ba\n0.376138 0.123862 0.376138 Ba\n0.693729 0.397828 0.954221 Ba\n0.123862 0.376138 0.123862 Ba\n0.125000 0.625000 0.625000 Ba\n0.295779 0.852172 0.556271 Ba\n0.397828 0.693729 0.954221 Ba\n0.295779 0.295779 0.556271 Ba\n0.397828 0.954221 0.954221 Ba\n0.556271 0.852172 0.295779 Ba\n0.556271 0.295779 0.295779 Ba\n0.123862 0.123862 0.376138 Ba\n0.954221 0.397828 0.954221 Ba\n0.873862 0.126138 0.873862 Ba\n0.126138 0.126138 0.873862 Ba\n0.954221 0.954221 0.693729 Ba\n0.376138 0.376138 0.123862 Ba\n0.500000 0.500000 0.500000 Ba\n0.693729 0.954221 0.397828 Ba\n0.295779 0.556271 0.295779 Ba\n0.295779 0.852172 0.295779 Ba\n0.852172 0.295779 0.556271 Ba\n0.123862 0.376138 0.376138 Ba\n0.126138 0.873862 0.873862 Ba\n0.954221 0.693729 0.954221 Ba\n0.954221 0.954221 0.397828 Ba\n0.693729 0.954221 0.954221 Ba\n0.126138 0.873862 0.126138 Ba\n0.873862 0.873862 0.126138 Ba\n0.625000 0.625000 0.625000 Ba\n0.852172 0.556271 0.295779 Ba\n0.295779 0.556271 0.852172 Ba\n0.556271 0.295779 0.852172 Ba\n0.852172 0.295779 0.295779 Ba\n0.397828 0.954221 0.693729 Ba\n0.954221 0.693729 0.397828 Ba\n0.295779 0.295779 0.852172 Ba\n0.376138 0.123862 0.123862 Ba\n0.625000 0.625000 0.125000 Ba\n0.625000 0.125000 0.625000 Ba\n0.125000 0.625000 0.125000 Ge\n0.625000 0.125000 0.125000 Ge\n0.125000 0.125000 0.625000 Ge\n0.125000 0.125000 0.125000 Ge\n0.974330 0.341890 0.341890 O\n0.250000 0.250000 0.250000 O\n0.341890 0.341890 0.974330 O\n0.000000 0.000000 0.000000 O\n0.908110 0.275670 0.908110 O\n0.908110 0.908110 0.908110 O\n0.908110 0.908110 0.275670 O\n0.341890 0.974330 0.341890 O\n0.341890 0.341890 0.341890 O\n0.275670 0.908110 0.908110 O\n","nsites":56,"nelements":3,"elements":["Ba","Ge","O"],"chemical_system":"Ba-Ge-O","density":4.274550118900239,"density_atomic":0.023182406163769174,"volume":2415.6250047728045,"volume_molar":25.97720321806697,"formula_full":"Ba42 Ge4 O10","formula_reduced":"Ba21Ge2O5","formula_anonymous":"A2B5C21","energy":-206.90248577,"energy_per_atom":-3.6946872458928572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-200.03248577,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.9824514,"is_theoretical":false,"updated_at":"2021-11-28T01:36:34.559000Z","spacegroup":227},{"id":"mp-752410","created_at":"2022-09-04T14:47:26.851115Z","structure_string":"Ba8 Ge4 O16\n1.0\n5.684170 0.000000 0.000000\n0.000000 7.858442 0.000000\n0.000000 0.000000 12.822257\nBa Ge O\n8 4 16\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.000000 Ba\n0.985703 0.250000 0.715560 Ba\n0.514297 0.250000 0.215560 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Ba\n0.485703 0.750000 0.784440 Ba\n0.014297 0.750000 0.284440 Ba\n0.929159 0.750000 0.599739 Ge\n0.570841 0.750000 0.099739 Ge\n0.429159 0.250000 0.900261 Ge\n0.070841 0.250000 0.400261 Ge\n0.809016 0.750000 0.469304 O\n0.803505 0.932233 0.663450 O\n0.803505 0.567767 0.663450 O\n0.742207 0.250000 0.905133 O\n0.757793 0.250000 0.405133 O\n0.696495 0.932233 0.163450 O\n0.696495 0.567767 0.163450 O\n0.690984 0.750000 0.969304 O\n0.309016 0.250000 0.030696 O\n0.303505 0.432233 0.836550 O\n0.303505 0.067767 0.836550 O\n0.242207 0.750000 0.594867 O\n0.257793 0.750000 0.094867 O\n0.196495 0.432233 0.336550 O\n0.196495 0.067767 0.336550 O\n0.190984 0.250000 0.530696 O\n","nsites":28,"nelements":3,"elements":["Ba","Ge","O"],"chemical_system":"Ba-Ge-O","density":4.76969864788823,"density_atomic":0.04888662363929546,"volume":572.7538110750887,"volume_molar":12.31858596828797,"formula_full":"Ba8 Ge4 O16","formula_reduced":"Ba2GeO4","formula_anonymous":"AB2C4","energy":-191.95871785,"energy_per_atom":-6.855668494642857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.96671785,"band_gap":2.9627,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0026649,"is_theoretical":true,"updated_at":"2021-11-28T01:38:11.193000Z","spacegroup":62},{"id":"mp-1196124","created_at":"2022-09-04T14:45:55.163787Z","structure_string":"Ba3 Ge12 O27\n1.0\n5.912082 -10.240027 0.000000\n5.912082 10.240027 0.000000\n0.000000 0.000000 4.810200\nBa Ge O\n3 12 27\ndirect\n0.331241 0.330982 0.999928 Ba\n0.999741 0.668759 0.999928 Ba\n0.669018 0.000259 0.999928 Ba\n0.333333 0.666667 0.893173 Ge\n0.666667 0.333333 0.103750 Ge\n0.000000 0.000000 0.994785 Ge\n0.338200 0.850727 0.403916 Ge\n0.512527 0.661800 0.403916 Ge\n0.149273 0.487473 0.403916 Ge\n0.180844 0.001113 0.497635 Ge\n0.820269 0.819156 0.497635 Ge\n0.998887 0.179731 0.497635 Ge\n0.487442 0.149495 0.592673 Ge\n0.662053 0.512558 0.592673 Ge\n0.850505 0.337947 0.592673 Ge\n0.411698 0.819128 0.118261 O\n0.407430 0.588302 0.118261 O\n0.180872 0.592570 0.118261 O\n0.154030 0.086080 0.225090 O\n0.932050 0.845970 0.225090 O\n0.913920 0.067950 0.225090 O\n0.213211 0.888052 0.307706 O\n0.674841 0.786789 0.307706 O\n0.111948 0.325159 0.307706 O\n0.325262 0.112842 0.692055 O\n0.787580 0.674738 0.692055 O\n0.887158 0.212420 0.692055 O\n0.591672 0.180576 0.879596 O\n0.588904 0.408328 0.879596 O\n0.819424 0.411096 0.879596 O\n0.250131 0.736205 0.667911 O\n0.486074 0.749869 0.667911 O\n0.263795 0.513926 0.667911 O\n0.482467 0.000582 0.496086 O\n0.518115 0.517533 0.496086 O\n0.999418 0.481885 0.496086 O\n0.513878 0.264272 0.329355 O\n0.750394 0.486122 0.329355 O\n0.735728 0.249606 0.329355 O\n0.063025 0.911145 0.757222 O\n0.848120 0.936975 0.757222 O\n0.088855 0.151880 0.757222 O\n","nsites":42,"nelements":3,"elements":["Ba","Ge","O"],"chemical_system":"Ba-Ge-O","density":4.891497042803309,"density_atomic":0.07211317381201128,"volume":582.4178548775011,"volume_molar":8.350957864784677,"formula_full":"Ba3 Ge12 O27","formula_reduced":"BaGe4O9","formula_anonymous":"AB4C9","energy":-293.67468463,"energy_per_atom":-6.992254395952381,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-275.12568463,"band_gap":3.0267,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0021406,"is_theoretical":false,"updated_at":"2021-11-28T01:37:13.303000Z","spacegroup":143},{"id":"mp-3848","created_at":"2022-09-04T14:40:22.343178Z","structure_string":"Ba3 Ge12 O27\n1.0\n5.896640 -10.213279 0.000000\n5.896640 10.213279 0.000000\n0.000000 0.000000 4.825759\nBa Ge O\n3 12 27\ndirect\n0.331731 0.331731 0.000000 Ba\n0.000000 0.668269 0.000000 Ba\n0.668269 0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Ge\n0.666667 0.333333 0.097212 Ge\n0.333333 0.666667 0.902788 Ge\n0.820822 0.820822 0.500000 Ge\n0.000000 0.179178 0.500000 Ge\n0.179178 0.000000 0.500000 Ge\n0.487509 0.150061 0.588565 Ge\n0.849939 0.337447 0.588565 Ge\n0.662553 0.512491 0.588565 Ge\n0.337447 0.849939 0.411435 Ge\n0.512491 0.662553 0.411435 Ge\n0.150061 0.487509 0.411435 Ge\n0.517388 0.517388 0.500000 O\n0.000000 0.482612 0.500000 O\n0.482612 0.000000 0.500000 O\n0.593874 0.181549 0.871282 O\n0.818451 0.412325 0.871282 O\n0.587675 0.406126 0.871282 O\n0.412325 0.818451 0.128718 O\n0.406126 0.587675 0.128718 O\n0.181549 0.593874 0.128718 O\n0.513200 0.262960 0.321637 O\n0.737040 0.250240 0.321637 O\n0.749760 0.486800 0.321637 O\n0.250240 0.737040 0.678363 O\n0.486800 0.749760 0.678363 O\n0.262960 0.513200 0.678363 O\n0.088519 0.152509 0.764851 O\n0.847491 0.936010 0.764851 O\n0.063990 0.911481 0.764851 O\n0.936010 0.847491 0.235149 O\n0.911481 0.063990 0.235149 O\n0.152509 0.088519 0.235149 O\n0.112861 0.325219 0.310680 O\n0.674781 0.787642 0.310680 O\n0.212358 0.887139 0.310680 O\n0.787642 0.674781 0.689320 O\n0.887139 0.212358 0.689320 O\n0.325219 0.112861 0.689320 O\n","nsites":42,"nelements":3,"elements":["Ba","Ge","O"],"chemical_system":"Ba-Ge-O","density":4.901297235377849,"density_atomic":0.07225765370933816,"volume":581.2533045834584,"volume_molar":8.33426004146843,"formula_full":"Ba3 Ge12 O27","formula_reduced":"BaGe4O9","formula_anonymous":"AB4C9","energy":-293.70921883,"energy_per_atom":-6.993076638809524,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-275.16021883,"band_gap":3.0551,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0021982,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.388000Z","spacegroup":150},{"id":"mp-1204343","created_at":"2022-09-04T14:40:07.475747Z","structure_string":"Ba6 Ge18 O44\n1.0\n4.799904 0.000000 0.000000\n0.000000 13.488332 0.000000\n0.000000 4.476950 14.787181\nBa Ge O\n6 18 44\ndirect\n0.050592 0.869868 0.886569 Ba\n0.050592 0.130132 0.113431 Ba\n0.024173 0.755585 0.500543 Ba\n0.024173 0.244415 0.499457 Ba\n0.989038 0.629284 0.115312 Ba\n0.989038 0.370716 0.884688 Ba\n0.528959 0.613449 0.919085 Ge\n0.528959 0.386551 0.080915 Ge\n0.534113 0.819393 0.692908 Ge\n0.534113 0.180607 0.307092 Ge\n0.543975 0.550877 0.690912 Ge\n0.543975 0.449123 0.309088 Ge\n0.518542 0.950313 0.306751 Ge\n0.518542 0.049687 0.693249 Ge\n0.520209 0.886811 0.081485 Ge\n0.520209 0.113189 0.918515 Ge\n0.526240 0.680175 0.309320 Ge\n0.526240 0.319825 0.690680 Ge\n0.041626 0.658840 0.770133 Ge\n0.041626 0.341160 0.229867 Ge\n0.019313 0.841177 0.230545 Ge\n0.019313 0.158823 0.769455 Ge\n0.468135 0.000000 0.500000 Ge\n0.601853 0.500000 0.500000 Ge\n0.374926 0.930250 0.416169 O\n0.374926 0.069750 0.583831 O\n0.387753 0.576123 0.270558 O\n0.387753 0.423877 0.729442 O\n0.673380 0.922730 0.732562 O\n0.673380 0.077270 0.267438 O\n0.362784 0.000000 0.000000 O\n0.686607 0.500000 0.000000 O\n0.364965 0.686951 0.984527 O\n0.364965 0.313049 0.015473 O\n0.671403 0.810606 0.016392 O\n0.671403 0.189394 0.983608 O\n0.809916 0.544282 0.772125 O\n0.809916 0.455718 0.227875 O\n0.251733 0.957021 0.225630 O\n0.251733 0.042979 0.774370 O\n0.815729 0.688612 0.864087 O\n0.815729 0.311388 0.135913 O\n0.236417 0.810368 0.137183 O\n0.236417 0.189632 0.862817 O\n0.817905 0.744281 0.676541 O\n0.817905 0.255719 0.323459 O\n0.249766 0.758758 0.324989 O\n0.249766 0.241242 0.675011 O\n0.273078 0.771271 0.775813 O\n0.273078 0.228729 0.224187 O\n0.787605 0.728536 0.226912 O\n0.787605 0.271464 0.773088 O\n0.272151 0.563684 0.860112 O\n0.272151 0.436316 0.139888 O\n0.782228 0.935324 0.139496 O\n0.782228 0.064676 0.860504 O\n0.274721 0.643033 0.674414 O\n0.274721 0.356967 0.325586 O\n0.793225 0.859998 0.325440 O\n0.793225 0.140002 0.674560 O\n0.397677 0.869569 0.582160 O\n0.397677 0.130431 0.417840 O\n0.220517 0.500000 0.500000 O\n0.671687 0.630274 0.418538 O\n0.671687 0.369726 0.581462 O\n0.698385 0.429685 0.416786 O\n0.698385 0.570315 0.583214 O\n0.852247 0.000000 0.500000 O\n","nsites":68,"nelements":3,"elements":["Ba","Ge","O"],"chemical_system":"Ba-Ge-O","density":4.918081952025904,"density_atomic":0.0710285134434638,"volume":957.3620044030009,"volume_molar":8.478483454103841,"formula_full":"Ba6 Ge18 O44","formula_reduced":"Ba3Ge9O22","formula_anonymous":"A3B9C22","energy":-467.78628454,"energy_per_atom":-6.879210066764706,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-437.55828454,"band_gap":0.1475999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.9951958,"is_theoretical":false,"updated_at":"2021-11-28T01:34:47.116000Z","spacegroup":3},{"id":"mp-1182246","created_at":"2022-09-04T14:39:27.830315Z","structure_string":"Ba2 Ge6 O16\n1.0\n2.491013 6.615071 0.000000\n-2.491013 6.615071 0.000000\n0.000000 2.441294 9.143156\nBa Ge O\n2 6 16\ndirect\n0.144030 0.855970 0.250000 Ba\n0.855970 0.144030 0.750000 Ba\n0.500000 0.000000 0.500000 Ge\n0.000000 0.500000 0.000000 Ge\n0.040778 0.571994 0.621789 Ge\n0.571994 0.040778 0.121789 Ge\n0.959222 0.428006 0.378211 Ge\n0.428006 0.959222 0.878211 Ge\n0.704224 0.834623 0.310647 O\n0.834623 0.704224 0.810647 O\n0.796182 0.942998 0.527387 O\n0.942998 0.796182 0.027387 O\n0.761583 0.598968 0.572979 O\n0.598968 0.761583 0.072979 O\n0.238417 0.401032 0.427021 O\n0.401032 0.238417 0.927021 O\n0.295776 0.165377 0.689353 O\n0.165377 0.295776 0.189353 O\n0.203818 0.057002 0.472613 O\n0.057002 0.203818 0.972613 O\n0.707595 0.428011 0.353114 O\n0.428011 0.707595 0.853114 O\n0.292405 0.571989 0.646886 O\n0.571989 0.292405 0.146886 O\n","nsites":24,"nelements":3,"elements":["Ba","Ge","O"],"chemical_system":"Ba-Ge-O","density":5.3260754774361905,"density_atomic":0.07964795185831659,"volume":301.32601579878536,"volume_molar":7.560948674126123,"formula_full":"Ba2 Ge6 O16","formula_reduced":"BaGe3O8","formula_anonymous":"AB3C8","energy":-159.33644651999998,"energy_per_atom":-6.6390186049999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.34444652,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.000453,"is_theoretical":false,"updated_at":"2021-11-28T01:34:34.517000Z","spacegroup":15},{"id":"mp-754370","created_at":"2022-09-04T14:39:33.007058Z","structure_string":"Ba6 Ge2 O10\n1.0\n-3.702065 3.702065 5.898933\n3.702065 -3.702065 5.898933\n3.702065 3.702065 -5.898933\nBa Ge O\n6 2 10\ndirect\n0.818437 0.318437 0.136874 Ba\n0.250000 0.250000 0.000000 Ba\n0.750000 0.750000 0.000000 Ba\n0.318437 0.181563 0.500000 Ba\n0.681563 0.818437 0.500000 Ba\n0.181563 0.681563 0.863126 Ba\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.522931 0.022931 0.231058 O\n0.977069 0.208127 0.500000 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.708127 0.477069 0.500000 O\n0.791873 0.291873 0.768942 O\n0.291873 0.522931 0.500000 O\n0.208127 0.708127 0.231058 O\n0.022931 0.791873 0.500000 O\n0.477069 0.977069 0.768942 O\n","nsites":18,"nelements":3,"elements":["Ba","Ge","O"],"chemical_system":"Ba-Ge-O","density":5.7984548277458385,"density_atomic":0.05566099567801392,"volume":323.3862380782023,"volume_molar":10.81931914196559,"formula_full":"Ba6 Ge2 O10","formula_reduced":"Ba3GeO5","formula_anonymous":"AB3C5","energy":-121.47946713,"energy_per_atom":-6.748859285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-114.60946713,"band_gap":2.7592,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0015325,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.448000Z","spacegroup":140},{"id":"mp-1016823","created_at":"2022-09-04T14:47:26.178183Z","structure_string":"Ba1 Ge1 O3\n1.0\n3.980389 0.000000 0.000000\n0.000000 3.980389 0.000000\n0.000000 0.000000 3.980389\nBa Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ge\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":["Ba","Ge","O"],"chemical_system":"Ba-Ge-O","density":6.792562890088615,"density_atomic":0.0792854421049859,"volume":63.06327955363161,"volume_molar":7.595518925183991,"formula_full":"Ba1 Ge1 O3","formula_reduced":"BaGeO3","formula_anonymous":"ABC3","energy":-33.70407482,"energy_per_atom":-6.740814964,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.64307482,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015562,"is_theoretical":true,"updated_at":"2021-11-28T01:38:08.565000Z","spacegroup":221},{"id":"mp-1228879","created_at":"2022-09-04T14:43:20.427479Z","structure_string":"Ba10 Ge7 O3\n1.0\n6.040201 -10.461936 0.000000\n6.040201 10.461936 0.000000\n0.000000 0.000000 5.040655\nBa Ge O\n10 7 3\ndirect\n0.918793 0.459396 0.000000 Ba\n0.540604 0.459396 0.000000 Ba\n0.540604 0.081207 0.000000 Ba\n0.750278 0.875139 0.000000 Ba\n0.124861 0.249722 0.000000 Ba\n0.124861 0.875139 0.000000 Ba\n0.339309 0.169655 0.500000 Ba\n0.830345 0.169655 0.500000 Ba\n0.830345 0.660691 0.500000 Ba\n0.333333 0.666667 0.000000 Ba\n0.332589 0.455765 0.500000 Ge\n0.544235 0.876824 0.500000 Ge\n0.123176 0.667411 0.500000 Ge\n0.332589 0.876824 0.500000 Ge\n0.123176 0.455765 0.500000 Ge\n0.544235 0.667411 0.500000 Ge\n0.666667 0.333333 0.500000 Ge\n0.258645 0.129322 0.000000 O\n0.870678 0.741355 0.000000 O\n0.870678 0.129322 0.000000 O\n","nsites":20,"nelements":3,"elements":["Ba","Ge","O"],"chemical_system":"Ba-Ge-O","density":5.030015491994267,"density_atomic":0.031394211253300525,"volume":637.0601203716296,"volume_molar":19.182328587302486,"formula_full":"Ba10 Ge7 O3","formula_reduced":"Ba10Ge7O3","formula_anonymous":"A3B7C10","energy":-90.77739582,"energy_per_atom":-4.538869791,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.71639582,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2343499,"is_theoretical":true,"updated_at":"2021-11-28T01:36:08.445000Z","spacegroup":187},{"id":"mp-558184","created_at":"2022-09-04T14:48:15.263768Z","structure_string":"Ba16 Ge32 O80\n1.0\n13.269719 0.000000 0.000000\n0.000000 9.695599 0.000000\n0.000000 0.946841 13.373131\nBa Ge O\n16 32 80\ndirect\n0.753660 0.878792 0.366025 Ba\n0.990396 0.387824 0.131624 Ba\n0.490396 0.612176 0.368376 Ba\n0.486089 0.387013 0.132948 Ba\n0.247546 0.862616 0.384334 Ba\n0.246340 0.121208 0.633975 Ba\n0.752454 0.137384 0.615666 Ba\n0.513911 0.612987 0.867052 Ba\n0.747546 0.137384 0.115666 Ba\n0.013911 0.387013 0.632948 Ba\n0.009604 0.612176 0.868376 Ba\n0.509604 0.387824 0.631624 Ba\n0.746340 0.878792 0.866025 Ba\n0.252454 0.862616 0.884334 Ba\n0.253660 0.121208 0.133975 Ba\n0.986089 0.612987 0.367052 Ba\n0.500184 0.012487 0.761391 Ge\n0.393549 0.749810 0.613373 Ge\n0.367898 0.240708 0.879628 Ge\n0.632102 0.759292 0.120372 Ge\n0.131115 0.240240 0.908597 Ge\n0.254571 0.474300 0.516858 Ge\n0.867898 0.759292 0.620372 Ge\n0.893549 0.250190 0.886627 Ge\n0.348482 0.735469 0.108399 Ge\n0.132102 0.240708 0.379628 Ge\n0.726565 0.480614 0.239477 Ge\n0.151518 0.735469 0.608399 Ge\n0.745429 0.525700 0.483142 Ge\n0.848482 0.264531 0.391601 Ge\n0.000000 0.000000 0.000000 Ge\n0.499816 0.987513 0.238609 Ge\n0.226565 0.519386 0.260523 Ge\n0.754571 0.525700 0.983142 Ge\n0.651518 0.264531 0.891601 Ge\n0.000184 0.987513 0.738609 Ge\n0.868885 0.759760 0.091403 Ge\n0.999816 0.012487 0.261391 Ge\n0.000000 0.000000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.773435 0.480614 0.739477 Ge\n0.368885 0.240240 0.408597 Ge\n0.245429 0.474300 0.016858 Ge\n0.273435 0.519386 0.760523 Ge\n0.631115 0.759760 0.591403 Ge\n0.500000 0.000000 0.000000 Ge\n0.606451 0.250190 0.386627 Ge\n0.106451 0.749810 0.113373 Ge\n0.350458 0.327637 0.518399 O\n0.649542 0.672363 0.481601 O\n0.052495 0.822760 0.987555 O\n0.652971 0.385584 0.989481 O\n0.632156 0.413459 0.446737 O\n0.289661 0.518653 0.379649 O\n0.650715 0.665372 0.005603 O\n0.507487 0.102504 0.127743 O\n0.971880 0.688649 0.162107 O\n0.857381 0.362173 0.278395 O\n0.850458 0.672363 0.981601 O\n0.262493 0.219468 0.331815 O\n0.125412 0.067589 0.963730 O\n0.232824 0.417742 0.658585 O\n0.058559 0.945443 0.150146 O\n0.040912 0.827112 0.570881 O\n0.367844 0.586541 0.553263 O\n0.459088 0.827112 0.070881 O\n0.736655 0.162792 0.411884 O\n0.762493 0.780532 0.168185 O\n0.415660 0.156852 0.764455 O\n0.552495 0.177240 0.512445 O\n0.732824 0.582258 0.841415 O\n0.263345 0.837208 0.588116 O\n0.847752 0.318467 0.756354 O\n0.447505 0.822760 0.487555 O\n0.152248 0.681533 0.243646 O\n0.584340 0.843148 0.235545 O\n0.870490 0.931662 0.535128 O\n0.084340 0.156852 0.264455 O\n0.625412 0.932411 0.536270 O\n0.149542 0.327637 0.018399 O\n0.847029 0.385584 0.489481 O\n0.028120 0.311351 0.837893 O\n0.142619 0.637827 0.721605 O\n0.374588 0.067589 0.463730 O\n0.789661 0.481347 0.120351 O\n0.737507 0.780532 0.668185 O\n0.540912 0.172888 0.929119 O\n0.007487 0.897496 0.372257 O\n0.941441 0.054557 0.849854 O\n0.347752 0.681533 0.743646 O\n0.629510 0.931662 0.035128 O\n0.349285 0.334628 0.994397 O\n0.767176 0.582258 0.341415 O\n0.236655 0.837208 0.088116 O\n0.992513 0.102504 0.627743 O\n0.528120 0.688649 0.662107 O\n0.915660 0.843148 0.735545 O\n0.441441 0.945443 0.650146 O\n0.710339 0.481347 0.620351 O\n0.492513 0.897496 0.872257 O\n0.237507 0.219468 0.831815 O\n0.849285 0.665372 0.505603 O\n0.867844 0.413459 0.946737 O\n0.471880 0.311351 0.337893 O\n0.210339 0.518653 0.879649 O\n0.152971 0.614416 0.510519 O\n0.347029 0.614416 0.010519 O\n0.642619 0.362173 0.778395 O\n0.874588 0.932411 0.036270 O\n0.652248 0.318467 0.256354 O\n0.357381 0.637827 0.221605 O\n0.558559 0.054557 0.349854 O\n0.626118 0.051948 0.745346 O\n0.370490 0.068338 0.964872 O\n0.947505 0.177240 0.012445 O\n0.889448 0.585907 0.697255 O\n0.267176 0.417742 0.158585 O\n0.110552 0.414093 0.302745 O\n0.389448 0.414093 0.802745 O\n0.126118 0.948052 0.754654 O\n0.129510 0.068338 0.464872 O\n0.959088 0.172888 0.429119 O\n0.610552 0.585907 0.197255 O\n0.873882 0.051948 0.245346 O\n0.763345 0.162792 0.911884 O\n0.373882 0.948052 0.254654 O\n0.150715 0.334628 0.494397 O\n0.132156 0.586541 0.053263 O\n","nsites":128,"nelements":3,"elements":["Ba","Ge","O"],"chemical_system":"Ba-Ge-O","density":5.599280190452389,"density_atomic":0.07439444346612104,"volume":1720.558606749854,"volume_molar":8.09487977787274,"formula_full":"Ba16 Ge32 O80","formula_reduced":"BaGe2O5","formula_anonymous":"AB2C5","energy":-885.35818828,"energy_per_atom":-6.9168608459375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-830.39818828,"band_gap":2.7735000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003971,"is_theoretical":false,"updated_at":"2021-11-28T01:40:11.342000Z","spacegroup":14},{"id":"mp-28288","created_at":"2022-09-04T14:48:11.677965Z","structure_string":"Ba4 Ge8 O20\n1.0\n2.808405 -5.009178 0.000000\n2.808405 5.009178 0.000000\n0.000000 0.000000 14.612313\nBa Ge O\n4 8 20\ndirect\n0.162057 0.837943 0.581229 Ba\n0.837943 0.162057 0.418771 Ba\n0.337943 0.662057 0.081229 Ba\n0.662057 0.337943 0.918771 Ba\n0.494757 0.505243 0.641526 Ge\n0.505243 0.494757 0.358474 Ge\n0.005243 0.994757 0.141526 Ge\n0.994757 0.005243 0.858474 Ge\n0.827168 0.172832 0.683271 Ge\n0.172832 0.827168 0.316729 Ge\n0.672832 0.327168 0.183271 Ge\n0.327168 0.672832 0.816729 Ge\n0.335059 0.152760 0.406195 O\n0.152760 0.335059 0.593805 O\n0.164941 0.347240 0.906195 O\n0.347240 0.164941 0.093805 O\n0.664941 0.847240 0.593805 O\n0.847240 0.664941 0.406195 O\n0.835059 0.652760 0.093805 O\n0.652760 0.835059 0.906195 O\n0.001669 0.498331 0.750000 O\n0.498331 0.001669 0.250000 O\n0.998331 0.501669 0.250000 O\n0.501669 0.998331 0.750000 O\n0.493885 0.506115 0.761245 O\n0.506115 0.493885 0.238755 O\n0.006115 0.993885 0.261245 O\n0.993885 0.006115 0.738755 O\n0.166123 0.833877 0.898675 O\n0.833877 0.166123 0.101325 O\n0.333877 0.666123 0.398675 O\n0.666123 0.333877 0.601325 O\n","nsites":32,"nelements":3,"elements":["Ba","Ge","O"],"chemical_system":"Ba-Ge-O","density":5.858231305683136,"density_atomic":0.0778349792934532,"volume":411.1262094559529,"volume_molar":7.737062198340599,"formula_full":"Ba4 Ge8 O20","formula_reduced":"BaGe2O5","formula_anonymous":"AB2C5","energy":-221.80123405,"energy_per_atom":-6.9312885640625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-208.06123405,"band_gap":1.8132,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0037842,"is_theoretical":false,"updated_at":"2021-11-28T01:38:22.913000Z","spacegroup":64},{"id":"mp-13863","created_at":"2022-09-04T14:48:15.152062Z","structure_string":"Ba4 Ge4 O12\n1.0\n4.681983 0.000000 0.000000\n0.000000 5.816147 0.000000\n0.000000 0.000000 13.103379\nBa Ge O\n4 4 12\ndirect\n0.276908 0.818348 0.860971 Ba\n0.776908 0.681652 0.139029 Ba\n0.723092 0.318348 0.639029 Ba\n0.223092 0.181652 0.360971 Ba\n0.821312 0.309335 0.923908 Ge\n0.321312 0.190665 0.076092 Ge\n0.178688 0.809335 0.576092 Ge\n0.678688 0.690665 0.423908 Ge\n0.764359 0.604565 0.912447 O\n0.264359 0.895435 0.087553 O\n0.235641 0.104565 0.587553 O\n0.735641 0.395435 0.412447 O\n0.750775 0.120911 0.824014 O\n0.250775 0.379089 0.175986 O\n0.249225 0.620911 0.675986 O\n0.749225 0.879089 0.324014 O\n0.294170 0.717073 0.449248 O\n0.794170 0.782927 0.550752 O\n0.705830 0.217073 0.050752 O\n0.205830 0.282927 0.949248 O\n","nsites":20,"nelements":3,"elements":["Ba","Ge","O"],"chemical_system":"Ba-Ge-O","density":4.80199498173837,"density_atomic":0.056050757464254176,"volume":356.8194419630244,"volume_molar":10.744084527029917,"formula_full":"Ba4 Ge4 O12","formula_reduced":"BaGeO3","formula_anonymous":"ABC3","energy":-139.46356747,"energy_per_atom":-6.9731783735,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-131.21956747,"band_gap":3.5519,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004438,"is_theoretical":false,"updated_at":"2021-11-28T01:38:52.127000Z","spacegroup":19}]}