{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=10261","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=10259","results":[{"id":"mp-1246404","created_at":"2022-09-04T14:46:18.699966Z","structure_string":"Ba6 Ru4 N8\n1.0\n7.775941 0.066348 -0.204333\n-5.842177 7.465597 0.000000\n-0.264244 -0.206783 5.732965\nBa Ru N\n6 4 8\ndirect\n0.254852 0.993336 0.045065 Ba\n0.745148 0.738484 0.454935 Ba\n0.745148 0.006664 0.954935 Ba\n0.254852 0.261516 0.545065 Ba\n0.000000 0.594432 0.750000 Ba\n0.000000 0.405568 0.250000 Ba\n0.577939 0.160117 0.573041 Ru\n0.422061 0.582178 0.926959 Ru\n0.422061 0.839883 0.426959 Ru\n0.577939 0.417822 0.073041 Ru\n0.263965 0.935978 0.542199 N\n0.736035 0.672013 0.957801 N\n0.736035 0.064022 0.457801 N\n0.263965 0.327987 0.042199 N\n0.641540 0.272468 0.892361 N\n0.358460 0.630926 0.607639 N\n0.358460 0.727532 0.107639 N\n0.641540 0.369074 0.392361 N\n","nsites":18,"nelements":3,"elements":["Ba","Ru","N"],"chemical_system":"Ba-N-Ru","density":6.6558887202569466,"density_atomic":0.05383055632372708,"volume":334.38257430874955,"volume_molar":11.187216278769164,"formula_full":"Ba6 Ru4 N8","formula_reduced":"Ba3(RuN2)2","formula_anonymous":"A2B3C4","energy":-121.10833718,"energy_per_atom":-6.728240954444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-118.22033718,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019894,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.964000Z","spacegroup":15},{"id":"mp-1245574","created_at":"2022-09-04T14:42:43.319385Z","structure_string":"Ba2 Ru1 N2\n1.0\n0.000000 -4.200508 0.000000\n-4.198749 0.000000 0.000000\n2.099374 2.100254 -6.608566\nBa Ru N\n2 1 2\ndirect\n0.860995 0.860995 0.221990 Ba\n0.139005 0.139005 0.778010 Ba\n0.500000 0.500000 0.500000 Ru\n0.362041 0.362041 0.224082 N\n0.637959 0.637959 0.775918 N\n","nsites":5,"nelements":3,"elements":["Ba","Ru","N"],"chemical_system":"Ba-N-Ru","density":5.7520031885110185,"density_atomic":0.04289839492842724,"volume":116.55447734914385,"volume_molar":14.03814937609552,"formula_full":"Ba2 Ru1 N2","formula_reduced":"Ba2RuN2","formula_anonymous":"AB2C2","energy":-32.32115699,"energy_per_atom":-6.464231398,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.59915699,"band_gap":0.3923999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007312,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.217000Z","spacegroup":139},{"id":"mp-1247564","created_at":"2022-09-04T14:39:17.454760Z","structure_string":"Ba8 Ru4 N12\n1.0\n6.676656 -0.083354 0.089801\n-10.595316 5.489719 0.000000\n-0.181745 -0.350774 13.131261\nBa Ru N\n8 4 12\ndirect\n0.499830 0.063656 0.862946 Ba\n0.500170 0.563826 0.637054 Ba\n0.500170 0.936344 0.137053 Ba\n0.499830 0.436174 0.362947 Ba\n0.500126 0.860616 0.580642 Ba\n0.499874 0.360491 0.919358 Ba\n0.499874 0.139384 0.419358 Ba\n0.500126 0.639509 0.080642 Ba\n0.500063 0.238834 0.664596 Ru\n0.499937 0.738770 0.835404 Ru\n0.499937 0.761166 0.335404 Ru\n0.500063 0.261230 0.164596 Ru\n0.000000 0.511044 0.750000 N\n0.000000 0.488956 0.250000 N\n0.500411 0.083557 0.629282 N\n0.499589 0.583146 0.870718 N\n0.499589 0.916443 0.370718 N\n0.500411 0.416854 0.129282 N\n0.499798 0.161682 0.052002 N\n0.500202 0.661884 0.447998 N\n0.500202 0.838318 0.947998 N\n0.499798 0.338116 0.552002 N\n0.000000 0.010828 0.750000 N\n0.000000 0.989172 0.250000 N\n","nsites":24,"nelements":3,"elements":["Ba","Ru","N"],"chemical_system":"Ba-N-Ru","density":5.902081059517824,"density_atomic":0.051050147106272814,"volume":470.12597143037397,"volume_molar":11.796519895356045,"formula_full":"Ba8 Ru4 N12","formula_reduced":"Ba2RuN3","formula_anonymous":"AB2C3","energy":-164.83414596,"energy_per_atom":-6.868089415,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.50214596,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.8057684,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.466000Z","spacegroup":64},{"id":"mp-1246017","created_at":"2022-09-04T14:46:54.697716Z","structure_string":"Ba4 Ru4 N8\n1.0\n6.660087 -0.115128 0.000000\n10.621470 5.240007 0.000000\n0.000000 0.000000 8.043269\nBa Ru N\n4 4 8\ndirect\n0.000000 0.155847 0.561975 Ba\n0.000000 0.844153 0.438025 Ba\n0.000000 0.344153 0.061975 Ba\n0.000000 0.655847 0.938025 Ba\n0.000000 0.437867 0.628775 Ru\n0.000000 0.562133 0.371225 Ru\n0.000000 0.062133 0.128775 Ru\n0.000000 0.937867 0.871225 Ru\n0.000000 0.117617 0.902050 N\n0.000000 0.882383 0.097950 N\n0.000000 0.382383 0.402050 N\n0.000000 0.617617 0.597950 N\n0.500000 0.654089 0.750000 N\n0.500000 0.845911 0.250000 N\n0.500000 0.345911 0.250000 N\n0.500000 0.154089 0.750000 N\n","nsites":16,"nelements":3,"elements":["Ba","Ru","N"],"chemical_system":"Ba-N-Ru","density":6.090586486662558,"density_atomic":0.05507047644733246,"volume":290.53679997306466,"volume_molar":10.935334408735997,"formula_full":"Ba4 Ru4 N8","formula_reduced":"BaRuN2","formula_anonymous":"ABC2","energy":-117.5015671,"energy_per_atom":-7.34384794375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-114.6135671,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021136,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.662000Z","spacegroup":64},{"id":"mp-1029537","created_at":"2022-09-04T14:39:13.402973Z","structure_string":"Ba6 Ru2 N6\n1.0\n8.265864 0.000215 0.000000\n-4.132745 7.157673 0.000000\n0.000000 0.000000 5.659966\nBa Ru N\n6 2 6\ndirect\n0.907048 0.636856 0.250000 Ba\n0.729901 0.092997 0.250000 Ba\n0.363030 0.270158 0.250000 Ba\n0.092952 0.363144 0.750000 Ba\n0.270099 0.907003 0.750000 Ba\n0.636970 0.729842 0.750000 Ba\n0.666749 0.333453 0.750000 Ru\n0.333251 0.666547 0.250000 Ru\n0.880785 0.567831 0.750000 N\n0.687095 0.119134 0.750000 N\n0.432125 0.312973 0.750000 N\n0.119215 0.432169 0.250000 N\n0.312905 0.880866 0.250000 N\n0.567875 0.687027 0.250000 N\n","nsites":14,"nelements":3,"elements":["Ba","Ru","N"],"chemical_system":"Ba-N-Ru","density":5.504872385969105,"density_atomic":0.04180686306658648,"volume":334.8732474307381,"volume_molar":14.404670234187234,"formula_full":"Ba6 Ru2 N6","formula_reduced":"Ba3RuN3","formula_anonymous":"AB3C3","energy":-88.58711146,"energy_per_atom":-6.327650818571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.42111146,"band_gap":0.6371000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.676998,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.676000Z","spacegroup":176},{"id":"mp-1246989","created_at":"2022-09-04T14:45:36.220783Z","structure_string":"Ba12 Ru24 N48\n1.0\n11.164672 0.000000 -0.000000\n-0.000000 11.164672 0.000000\n-0.000000 0.000000 11.164672\nBa Ru N\n12 24 48\ndirect\n0.500000 0.500000 -0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ba\n-0.000000 -0.000000 -0.000000 Ba\n0.123718 0.876282 0.376282 Ba\n0.876282 0.376282 0.123718 Ba\n0.376282 0.123718 0.876282 Ba\n0.623718 0.623718 0.623718 Ba\n0.876282 0.123718 0.623718 Ba\n0.123718 0.623718 0.876282 Ba\n0.623718 0.876282 0.123718 Ba\n0.376282 0.376282 0.376282 Ba\n0.386352 0.697128 0.352170 Ru\n0.613648 0.197128 0.147830 Ru\n0.113648 0.302872 0.852170 Ru\n0.886352 0.802872 0.647830 Ru\n0.352170 0.386352 0.697128 Ru\n0.147830 0.613648 0.197128 Ru\n0.852170 0.113648 0.302872 Ru\n0.647830 0.886352 0.802872 Ru\n0.697128 0.352170 0.386352 Ru\n0.197128 0.147830 0.613648 Ru\n0.302872 0.852170 0.113648 Ru\n0.802872 0.647830 0.886352 Ru\n0.613648 0.302872 0.647830 Ru\n0.386352 0.802872 0.852170 Ru\n0.886352 0.697128 0.147830 Ru\n0.113648 0.197128 0.352170 Ru\n0.647830 0.613648 0.302872 Ru\n0.852170 0.386352 0.802872 Ru\n0.147830 0.886352 0.697128 Ru\n0.352170 0.113648 0.197128 Ru\n0.302872 0.647830 0.613648 Ru\n0.802872 0.852170 0.386352 Ru\n0.697128 0.147830 0.886352 Ru\n0.197128 0.352170 0.113648 Ru\n0.369561 0.839026 0.270844 N\n0.630440 0.339026 0.229156 N\n0.130440 0.160974 0.770844 N\n0.869560 0.660974 0.729156 N\n0.270844 0.369561 0.839026 N\n0.229156 0.630440 0.339026 N\n0.770844 0.130440 0.160974 N\n0.729156 0.869560 0.660974 N\n0.839026 0.270844 0.369561 N\n0.339026 0.229156 0.630440 N\n0.160974 0.770844 0.130440 N\n0.660974 0.729156 0.869560 N\n0.630440 0.160974 0.729156 N\n0.369561 0.660974 0.770844 N\n0.869560 0.839026 0.229156 N\n0.130440 0.339026 0.270844 N\n0.729156 0.630440 0.160974 N\n0.770844 0.369561 0.660974 N\n0.229156 0.869560 0.839026 N\n0.270844 0.130440 0.339026 N\n0.160974 0.729156 0.630440 N\n0.660974 0.770844 0.369561 N\n0.839026 0.229156 0.869560 N\n0.339026 0.270844 0.130440 N\n0.422043 0.722062 0.516095 N\n0.577957 0.222062 0.983905 N\n0.077957 0.277938 0.016095 N\n0.922043 0.777938 0.483905 N\n0.516095 0.422043 0.722062 N\n0.983905 0.577957 0.222062 N\n0.016095 0.077957 0.277938 N\n0.483905 0.922043 0.777938 N\n0.722062 0.516095 0.422043 N\n0.222062 0.983905 0.577957 N\n0.277938 0.016095 0.077957 N\n0.777938 0.483905 0.922043 N\n0.577957 0.277938 0.483905 N\n0.422043 0.777938 0.016095 N\n0.922043 0.722062 0.983905 N\n0.077957 0.222062 0.516095 N\n0.483905 0.577957 0.277938 N\n0.016095 0.422043 0.777938 N\n0.983905 0.922043 0.722062 N\n0.516095 0.077957 0.222062 N\n0.277938 0.483905 0.577957 N\n0.777938 0.016095 0.422043 N\n0.722062 0.983905 0.922043 N\n0.222062 0.516095 0.077957 N\n","nsites":84,"nelements":3,"elements":["Ba","Ru","N"],"chemical_system":"Ba-N-Ru","density":5.662811651329176,"density_atomic":0.06035890881581492,"volume":1391.6752580190907,"volume_molar":9.977219400000335,"formula_full":"Ba12 Ru24 N48","formula_reduced":"Ba(RuN2)2","formula_anonymous":"AB2C4","energy":-658.39300354,"energy_per_atom":-7.8380119469047616,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-641.06500354,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.98e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.527000Z","spacegroup":205},{"id":"mp-1029619","created_at":"2022-09-04T14:44:17.618049Z","structure_string":"Ba12 Re24 N48\n1.0\n11.111659 0.000000 0.000000\n0.000000 11.111659 0.000000\n0.000000 0.000000 11.111659\nBa Re N\n12 24 48\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.146207 0.853793 0.353793 Ba\n0.853793 0.353793 0.146207 Ba\n0.353793 0.146207 0.853793 Ba\n0.646207 0.646207 0.646207 Ba\n0.853793 0.146207 0.646207 Ba\n0.146207 0.646207 0.853793 Ba\n0.646207 0.853793 0.146207 Ba\n0.353793 0.353793 0.353793 Ba\n0.412589 0.673962 0.344976 Re\n0.587411 0.173962 0.155024 Re\n0.087411 0.326038 0.844976 Re\n0.912589 0.826038 0.655024 Re\n0.344976 0.412589 0.673962 Re\n0.155024 0.587411 0.173962 Re\n0.844976 0.087411 0.326038 Re\n0.655024 0.912589 0.826038 Re\n0.673962 0.344976 0.412589 Re\n0.173962 0.155024 0.587411 Re\n0.326038 0.844976 0.087411 Re\n0.826038 0.655024 0.912589 Re\n0.587411 0.326038 0.655024 Re\n0.412589 0.826038 0.844976 Re\n0.912589 0.673962 0.155024 Re\n0.087411 0.173962 0.344976 Re\n0.655024 0.587411 0.326038 Re\n0.844976 0.412589 0.826038 Re\n0.155024 0.912589 0.673962 Re\n0.344976 0.087411 0.173962 Re\n0.326038 0.655024 0.587411 Re\n0.826038 0.844976 0.412589 Re\n0.673962 0.155024 0.912589 Re\n0.173962 0.344976 0.087411 Re\n0.395218 0.805687 0.250772 N\n0.604782 0.305687 0.249228 N\n0.104782 0.194313 0.750772 N\n0.895218 0.694313 0.749228 N\n0.250772 0.395218 0.805687 N\n0.249228 0.604782 0.305687 N\n0.750772 0.104782 0.194313 N\n0.749228 0.895218 0.694313 N\n0.805687 0.250772 0.395218 N\n0.305687 0.249228 0.604782 N\n0.194313 0.750772 0.104782 N\n0.694313 0.749228 0.895218 N\n0.604782 0.194313 0.749228 N\n0.395218 0.694313 0.750772 N\n0.895218 0.805687 0.249228 N\n0.104782 0.305687 0.250772 N\n0.749228 0.604782 0.194313 N\n0.750772 0.395218 0.694313 N\n0.249228 0.895218 0.805687 N\n0.250772 0.104782 0.305687 N\n0.194313 0.749228 0.604782 N\n0.694313 0.750772 0.395218 N\n0.805687 0.249228 0.895218 N\n0.305687 0.250772 0.104782 N\n0.459931 0.727575 0.507008 N\n0.540069 0.227575 0.992992 N\n0.040069 0.272425 0.007008 N\n0.959931 0.772425 0.492992 N\n0.507008 0.459931 0.727575 N\n0.992992 0.540069 0.227575 N\n0.007008 0.040069 0.272425 N\n0.492992 0.959931 0.772425 N\n0.727575 0.507008 0.459931 N\n0.227575 0.992992 0.540069 N\n0.272425 0.007008 0.040069 N\n0.772425 0.492992 0.959931 N\n0.540069 0.272425 0.492992 N\n0.459931 0.772425 0.007008 N\n0.959931 0.727575 0.992992 N\n0.040069 0.227575 0.507008 N\n0.492992 0.540069 0.272425 N\n0.007008 0.459931 0.772425 N\n0.992992 0.959931 0.727575 N\n0.507008 0.040069 0.227575 N\n0.272425 0.492992 0.540069 N\n0.772425 0.007008 0.459931 N\n0.727575 0.992992 0.959931 N\n0.227575 0.507008 0.040069 N\n","nsites":84,"nelements":3,"elements":["Ba","Re","N"],"chemical_system":"Ba-N-Re","density":8.21735131529695,"density_atomic":0.061226942251809816,"volume":1371.9450442997916,"volume_molar":9.835769252092597,"formula_full":"Ba12 Re24 N48","formula_reduced":"Ba(ReN2)2","formula_anonymous":"AB2C4","energy":-759.5676342800001,"energy_per_atom":-9.042471836666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-742.23963428,"band_gap":2.1972000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0021207,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.261000Z","spacegroup":205},{"id":"mp-989637","created_at":"2022-09-04T14:43:52.360880Z","structure_string":"Ba4 Re4 N12\n1.0\n5.708050 5.642095 0.000000\n-5.708050 5.642095 0.000000\n0.000000 1.433379 6.074385\nBa Re N\n4 4 12\ndirect\n0.327180 0.672820 0.250000 Ba\n0.099710 0.900290 0.750000 Ba\n0.672820 0.327180 0.750000 Ba\n0.900290 0.099710 0.250000 Ba\n0.205220 0.369220 0.758590 Re\n0.630780 0.794780 0.741410 Re\n0.369220 0.205220 0.258590 Re\n0.794780 0.630780 0.241410 Re\n0.764430 0.980350 0.677830 N\n0.644590 0.680470 0.490600 N\n0.355410 0.319530 0.509400 N\n0.980350 0.764430 0.177830 N\n0.851640 0.421800 0.319270 N\n0.235570 0.019650 0.322170 N\n0.148360 0.578200 0.680730 N\n0.421800 0.851640 0.819270 N\n0.578200 0.148360 0.180730 N\n0.680470 0.644590 0.990600 N\n0.319530 0.355410 0.009400 N\n0.019650 0.235570 0.822170 N\n","nsites":20,"nelements":3,"elements":["Ba","Re","N"],"chemical_system":"Ba-N-Re","density":6.205835720475003,"density_atomic":0.051117490208770176,"volume":391.25551583846385,"volume_molar":11.780978947528194,"formula_full":"Ba4 Re4 N12","formula_reduced":"BaReN3","formula_anonymous":"ABC3","energy":-171.48350929999998,"energy_per_atom":-8.574175465,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-167.1515093,"band_gap":1.7855000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012788,"is_theoretical":true,"updated_at":"2021-11-28T01:36:23.339000Z","spacegroup":15},{"id":"mp-1246715","created_at":"2022-09-04T14:39:42.785230Z","structure_string":"Ba8 Re4 N12\n1.0\n6.657906 -0.064078 0.090433\n-10.550004 5.466242 0.000000\n-0.183199 -0.353580 13.384061\nBa Re N\n8 4 12\ndirect\n0.500240 0.065650 0.866955 Ba\n0.499760 0.565410 0.633045 Ba\n0.499760 0.934350 0.133045 Ba\n0.500240 0.434590 0.366955 Ba\n0.499683 0.859982 0.582546 Ba\n0.500317 0.360298 0.917454 Ba\n0.500317 0.140018 0.417454 Ba\n0.499683 0.639702 0.082546 Ba\n0.499883 0.239686 0.663667 Re\n0.500117 0.739803 0.836333 Re\n0.500117 0.760314 0.336333 Re\n0.499883 0.260197 0.163667 Re\n0.000000 0.513412 0.750000 N\n0.000000 0.486588 0.250000 N\n0.499180 0.089471 0.624210 N\n0.500820 0.590291 0.875790 N\n0.500820 0.910529 0.375790 N\n0.499180 0.409709 0.124210 N\n0.500318 0.163282 0.052806 N\n0.499682 0.662964 0.447194 N\n0.499682 0.836718 0.947194 N\n0.500318 0.337036 0.552806 N\n0.000000 0.013848 0.750000 N\n0.000000 0.986152 0.250000 N\n","nsites":24,"nelements":3,"elements":["Ba","Re","N"],"chemical_system":"Ba-N-Re","density":6.9809482719287095,"density_atomic":0.05015927599549276,"volume":478.47580579425835,"volume_molar":12.006036053114364,"formula_full":"Ba8 Re4 N12","formula_reduced":"Ba2ReN3","formula_anonymous":"AB2C3","energy":-184.092896,"energy_per_atom":-7.670537333333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-179.760896,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013518,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.346000Z","spacegroup":64},{"id":"mp-1245965","created_at":"2022-09-04T14:42:08.708554Z","structure_string":"Ba6 Re2 N6\n1.0\n8.279592 0.000510 0.000000\n-4.139353 7.169729 0.000000\n0.000000 0.000000 5.777654\nBa Re N\n6 2 6\ndirect\n0.899834 0.639872 0.250000 Ba\n0.740050 0.100122 0.250000 Ba\n0.360122 0.260067 0.250000 Ba\n0.100166 0.360128 0.750000 Ba\n0.259950 0.899878 0.750000 Ba\n0.639878 0.739933 0.750000 Ba\n0.666738 0.333411 0.750000 Re\n0.333262 0.666589 0.250000 Re\n0.881653 0.563153 0.750000 N\n0.681513 0.118449 0.750000 N\n0.436831 0.318488 0.750000 N\n0.118347 0.436847 0.250000 N\n0.318487 0.881551 0.250000 N\n0.563169 0.681512 0.250000 N\n","nsites":14,"nelements":3,"elements":["Ba","Re","N"],"chemical_system":"Ba-N-Re","density":6.198999572996116,"density_atomic":0.04081778035745623,"volume":342.98778320126377,"volume_molar":14.753719352845527,"formula_full":"Ba6 Re2 N6","formula_reduced":"Ba3ReN3","formula_anonymous":"AB3C3","energy":-97.40255402,"energy_per_atom":-6.957325287142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.23655402,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.15461,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.697000Z","spacegroup":176},{"id":"mp-1219638","created_at":"2022-09-04T14:46:29.902898Z","structure_string":"Rb4 Ba4 N12\n1.0\n0.000000 5.318142 14.318647\n4.253211 0.000000 14.318647\n4.253211 5.318142 0.000000\nRb Ba N\n4 4 12\ndirect\n0.675954 0.675954 0.824046 Rb\n0.425954 0.425954 0.574046 Rb\n0.824046 0.824046 0.675954 Rb\n0.574046 0.574046 0.425954 Rb\n0.177152 0.177152 0.322848 Ba\n0.927152 0.927152 0.072848 Ba\n0.322848 0.322848 0.177152 Ba\n0.072848 0.072848 0.927152 Ba\n0.098744 0.621736 0.938833 N\n0.621736 0.098744 0.340687 N\n0.780799 0.219201 0.219201 N\n0.219201 0.780799 0.780799 N\n0.030799 0.469201 0.469201 N\n0.469201 0.030799 0.030799 N\n0.311167 0.909313 0.151256 N\n0.909313 0.311167 0.628264 N\n0.938833 0.340687 0.098744 N\n0.340687 0.938833 0.621736 N\n0.151256 0.628264 0.311167 N\n0.628264 0.151256 0.909313 N\n","nsites":20,"nelements":3,"elements":["Rb","Ba","N"],"chemical_system":"Ba-N-Rb","density":2.715455376167445,"density_atomic":0.030876009069788556,"volume":647.7521092442457,"volume_molar":19.504271897278723,"formula_full":"Rb4 Ba4 N12","formula_reduced":"RbBaN3","formula_anonymous":"ABC3","energy":-85.54654875,"energy_per_atom":-4.2773274375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.21454875,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0019858,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.767000Z","spacegroup":70},{"id":"mp-605646","created_at":"2022-09-04T14:40:27.347209Z","structure_string":"Rb2 Ba4 N30\n1.0\n5.706914 0.000000 0.000000\n0.000000 8.791184 0.000000\n0.000000 8.753947 11.876906\nRb Ba N\n2 4 30\ndirect\n0.573218 0.000000 0.750000 Rb\n0.426782 0.000000 0.250000 Rb\n0.996737 0.687434 0.550681 Ba\n0.003263 0.312566 0.449319 Ba\n0.003263 0.687434 0.050681 Ba\n0.996737 0.312566 0.949319 Ba\n0.120518 0.763359 0.824056 N\n0.058676 0.162892 0.769855 N\n0.503755 0.500000 0.750000 N\n0.675294 0.571275 0.948735 N\n0.704124 0.500000 0.250000 N\n0.941324 0.837108 0.230145 N\n0.710869 0.500000 0.750000 N\n0.879482 0.236641 0.175944 N\n0.502992 0.865961 0.498871 N\n0.004209 0.088051 0.364355 N\n0.324706 0.571275 0.448735 N\n0.675294 0.428725 0.551265 N\n0.497008 0.865961 0.998871 N\n0.324706 0.428725 0.051265 N\n0.289131 0.500000 0.250000 N\n0.058676 0.837108 0.730145 N\n0.941324 0.162892 0.269855 N\n0.500000 0.000000 0.500000 N\n0.120518 0.236641 0.675944 N\n0.879482 0.763359 0.324056 N\n0.295876 0.500000 0.750000 N\n0.496245 0.500000 0.250000 N\n0.004209 0.911949 0.135645 N\n0.497008 0.134039 0.501129 N\n0.995791 0.088051 0.864355 N\n0.500000 0.500000 0.000000 N\n0.995791 0.911949 0.635645 N\n0.500000 0.500000 0.500000 N\n0.502992 0.134039 0.001129 N\n0.500000 0.000000 0.000000 N\n","nsites":36,"nelements":3,"elements":["Rb","Ba","N"],"chemical_system":"Ba-N-Rb","density":3.1781271865259977,"density_atomic":0.06041579345231068,"volume":595.8706812055141,"volume_molar":9.967825324935255,"formula_full":"Rb2 Ba4 N30","formula_reduced":"RbBa2N15","formula_anonymous":"AB2C15","energy":-276.58574825,"energy_per_atom":-7.682937451388889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-265.75574825,"band_gap":3.7794,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0057794,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.981000Z","spacegroup":13}]}