{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=71","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=69","results":[{"id":"mp-989404","created_at":"2022-09-04T14:41:22.270097Z","structure_string":"Ca6 In2 N1 F1\n1.0\n0.000000 4.980481 4.980481\n4.980481 0.000000 4.980481\n4.980481 4.980481 0.000000\nCa In N F\n6 2 1 1\ndirect\n0.239987 0.760012 0.760012 Ca\n0.239988 0.760013 0.239987 Ca\n0.760012 0.239987 0.760012 Ca\n0.760013 0.760013 0.239987 Ca\n0.239988 0.239988 0.760012 Ca\n0.760013 0.239988 0.239987 Ca\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n","nsites":10,"nelements":4,"elements":["Ca","In","N","F"],"chemical_system":"Ca-F-In-N","density":3.3811731714048108,"density_atomic":0.04047213745420461,"volume":247.08356486768926,"volume_molar":14.879720071158156,"formula_full":"Ca6 In2 N1 F1","formula_reduced":"Ca6In2NF","formula_anonymous":"ABC2D6","energy":-38.82042392,"energy_per_atom":-3.8820423920000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.35842392,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2778857,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.024000Z","spacegroup":225},{"id":"mp-989403","created_at":"2022-09-04T14:41:25.294372Z","structure_string":"La2 V2 N6\n1.0\n3.629583 0.000000 0.000000\n-0.088120 6.024297 0.000000\n-0.706775 -1.856931 6.008800\nLa V N\n2 2 6\ndirect\n0.551356 0.789201 0.270698 La\n0.625547 0.332568 0.728008 La\n0.147972 0.817700 0.752545 V\n0.076637 0.288219 0.252209 V\n0.969907 0.946938 0.050075 N\n0.677433 0.834830 0.886875 N\n0.065590 0.467923 0.080916 N\n0.553302 0.221848 0.310897 N\n0.106748 0.523846 0.564671 N\n0.110518 0.001776 0.584567 N\n","nsites":10,"nelements":3,"elements":["La","V","N"],"chemical_system":"La-N-V","density":5.860940486792446,"density_atomic":0.07611130077601007,"volume":131.38653390551372,"volume_molar":7.912282011475162,"formula_full":"La2 V2 N6","formula_reduced":"LaVN3","formula_anonymous":"ABC3","energy":-90.60196034,"energy_per_atom":-9.060196034,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.43596034,"band_gap":0.3281999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002938,"is_theoretical":true,"updated_at":"2021-11-28T01:35:20.949000Z","spacegroup":1},{"id":"mp-989402","created_at":"2022-09-04T14:43:02.969553Z","structure_string":"Sr6 In2 N1 F1\n1.0\n0.000000 5.324998 5.324998\n5.324998 0.000000 5.324998\n5.324998 5.324998 0.000000\nSr In N F\n6 2 1 1\ndirect\n0.240465 0.759535 0.759535 Sr\n0.240465 0.759535 0.240465 Sr\n0.759535 0.240465 0.759535 Sr\n0.759535 0.759535 0.240465 Sr\n0.240465 0.240465 0.759535 Sr\n0.759535 0.240465 0.240465 Sr\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n","nsites":10,"nelements":4,"elements":["Sr","In","N","F"],"chemical_system":"F-In-N-Sr","density":4.3349684735397975,"density_atomic":0.033114000983655585,"volume":301.98706598262777,"volume_molar":18.186086190467922,"formula_full":"Sr6 In2 N1 F1","formula_reduced":"Sr6In2NF","formula_anonymous":"ABC2D6","energy":-35.884294960000005,"energy_per_atom":-3.5884294960000007,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.42229496,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0703162,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.184000Z","spacegroup":225},{"id":"mp-989401","created_at":"2022-09-04T14:47:20.307204Z","structure_string":"Ca2 Mo2 N6\n1.0\n3.535271 0.000000 0.000000\n0.000000 4.295757 0.000000\n0.000000 0.000000 8.841433\nCa Mo N\n2 2 6\ndirect\n0.500000 0.500000 0.815607 Ca\n0.500000 0.000000 0.191038 Ca\n0.000000 0.000000 0.612051 Mo\n0.000000 0.500000 0.404534 Mo\n0.000000 0.000000 0.390923 N\n0.500000 0.500000 0.314681 N\n0.000000 0.643127 0.024318 N\n0.000000 0.500000 0.624174 N\n0.500000 0.000000 0.703087 N\n0.000000 0.356873 0.024318 N\n","nsites":10,"nelements":3,"elements":["Ca","Mo","N"],"chemical_system":"Ca-Mo-N","density":4.403590910704745,"density_atomic":0.07447575637710406,"volume":134.27188237425247,"volume_molar":8.086041757679114,"formula_full":"Ca2 Mo2 N6","formula_reduced":"CaMoN3","formula_anonymous":"ABC3","energy":-83.18599773999999,"energy_per_atom":-8.318599773999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.01999774,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1015774,"is_theoretical":true,"updated_at":"2021-11-28T01:38:04.669000Z","spacegroup":25},{"id":"mp-989400","created_at":"2022-09-04T14:40:24.497808Z","structure_string":"Rb2 Na1 Ga1 F6\n1.0\n0.000000 4.284531 4.284531\n4.284531 0.000000 4.284531\n4.284531 4.284531 0.000000\nRb Na Ga F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.773772 0.226228 0.226228 F\n0.226228 0.226228 0.773772 F\n0.226228 0.773772 0.773772 F\n0.226228 0.773772 0.226228 F\n0.773772 0.226228 0.773772 F\n0.773772 0.773772 0.226228 F\n","nsites":10,"nelements":4,"elements":["Rb","Na","Ga","F"],"chemical_system":"F-Ga-Na-Rb","density":3.986445482271536,"density_atomic":0.0635711599733431,"volume":157.30403541784102,"volume_molar":9.473070434022642,"formula_full":"Rb2 Na1 Ga1 F6","formula_reduced":"Rb2NaGaF6","formula_anonymous":"ABC2D6","energy":-48.57531475,"energy_per_atom":-4.857531475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.80331475,"band_gap":5.9026,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.7e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.713000Z","spacegroup":225},{"id":"mp-989399","created_at":"2022-09-04T14:43:52.000290Z","structure_string":"Ca6 Al2 N1 F1\n1.0\n0.000000 4.927703 4.927703\n4.927703 0.000000 4.927703\n4.927703 4.927703 0.000000\nCa Al N F\n6 2 1 1\ndirect\n0.740704 0.259296 0.259296 Ca\n0.740704 0.259296 0.740704 Ca\n0.259296 0.740704 0.259296 Ca\n0.259296 0.259296 0.740704 Ca\n0.740704 0.740704 0.259296 Ca\n0.259296 0.740704 0.740704 Ca\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 F\n","nsites":10,"nelements":4,"elements":["Ca","Al","N","F"],"chemical_system":"Al-Ca-F-N","density":2.2720202312357385,"density_atomic":0.041786541823457334,"volume":239.31149991422336,"volume_molar":14.41167537970181,"formula_full":"Ca6 Al2 N1 F1","formula_reduced":"Ca6Al2NF","formula_anonymous":"ABC2D6","energy":-39.423540030000005,"energy_per_atom":-3.9423540030000006,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.96154003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3671041,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.068000Z","spacegroup":225},{"id":"mp-989388","created_at":"2022-09-04T14:39:33.787792Z","structure_string":"Rb2 S1 Cl6 F1\n1.0\n0.000000 5.019538 5.019538\n5.019538 0.000000 5.019538\n5.019538 5.019538 0.000000\nRb S Cl F\n2 1 6 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 S\n0.229588 0.770412 0.770412 Cl\n0.229588 0.770412 0.229588 Cl\n0.770412 0.229588 0.770412 Cl\n0.770412 0.770412 0.229588 Cl\n0.229588 0.229588 0.770412 Cl\n0.770412 0.229588 0.229588 Cl\n0.500000 0.500000 0.500000 F\n","nsites":10,"nelements":4,"elements":["Rb","S","Cl","F"],"chemical_system":"Cl-F-Rb-S","density":2.8538719957964522,"density_atomic":0.03953472891360699,"volume":252.94216691993603,"volume_molar":15.232533333312707,"formula_full":"Rb2 S1 Cl6 F1","formula_reduced":"Rb2SCl6F","formula_anonymous":"ABC2D6","energy":-28.48988542,"energy_per_atom":-2.848988542,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.02788542,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3193775,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.334000Z","spacegroup":225},{"id":"mp-989229","created_at":"2022-09-04T14:41:16.677667Z","structure_string":"Mg1 H8 Cl2 O12\n1.0\n4.082951 5.509003 0.000000\n-4.082951 5.509003 0.000000\n0.000000 2.291134 5.610742\nMg H Cl O\n1 8 2 12\ndirect\n0.990297 0.009703 0.500000 Mg\n0.288829 0.099694 0.627696 H\n0.093244 0.171210 0.819793 H\n0.622865 0.287349 0.637121 H\n0.712651 0.377135 0.362879 H\n0.268980 0.637070 0.635483 H\n0.900306 0.711171 0.372304 H\n0.362930 0.731020 0.364517 H\n0.828790 0.906756 0.180207 H\n0.282683 0.315955 0.091983 Cl\n0.684045 0.717317 0.908017 Cl\n0.135801 0.138160 0.663439 O\n0.135229 0.173746 0.144426 O\n0.455099 0.203860 0.202955 O\n0.739067 0.260933 0.500000 O\n0.359498 0.370218 0.830967 O\n0.169401 0.503687 0.173709 O\n0.796140 0.544901 0.797045 O\n0.629782 0.640502 0.169033 O\n0.244156 0.755844 0.500000 O\n0.496313 0.830599 0.826291 O\n0.861840 0.864199 0.336561 O\n0.826254 0.864771 0.855574 O\n","nsites":23,"nelements":4,"elements":["Mg","H","Cl","O"],"chemical_system":"Cl-H-Mg-O","density":1.942526750959908,"density_atomic":0.09112349417908469,"volume":252.40471963024353,"volume_molar":6.608768478702878,"formula_full":"Mg1 H8 Cl2 O12","formula_reduced":"MgH8(ClO6)2","formula_anonymous":"AB2C8D12","energy":-117.49812131000002,"energy_per_atom":-5.10861397,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.25412131,"band_gap":5.2195,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0035168,"is_theoretical":false,"updated_at":"2021-11-28T01:35:14.981000Z","spacegroup":5},{"id":"mp-989197","created_at":"2022-09-04T14:39:21.509561Z","structure_string":"Ge2 Cl2 F2\n1.0\n3.765417 0.000000 0.000000\n0.000000 3.765417 0.000000\n0.000000 0.000000 7.282944\nGe Cl F\n2 2 2\ndirect\n0.000000 0.500000 0.803114 Ge\n0.500000 0.000000 0.196886 Ge\n0.500000 0.000000 0.652354 Cl\n0.000000 0.500000 0.347646 Cl\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n","nsites":6,"nelements":3,"elements":["Ge","Cl","F"],"chemical_system":"Cl-F-Ge","density":4.087541163307168,"density_atomic":0.05810561761797414,"volume":103.26023964581327,"volume_molar":10.364128300973668,"formula_full":"Ge2 Cl2 F2","formula_reduced":"GeClF","formula_anonymous":"ABC","energy":-26.66871396,"energy_per_atom":-4.44478566,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.516713960000004,"band_gap":2.5216000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.1e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.324000Z","spacegroup":129},{"id":"mp-989196","created_at":"2022-09-04T14:42:40.924739Z","structure_string":"Sb2 Cl2 O2\n1.0\n3.791072 0.000000 0.000000\n0.000000 3.791072 0.000000\n0.000000 0.000000 7.916909\nSb Cl O\n2 2 2\ndirect\n0.000000 0.500000 0.843035 Sb\n0.500000 0.000000 0.156965 Sb\n0.500000 0.000000 0.668942 Cl\n0.000000 0.500000 0.331058 Cl\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":6,"nelements":3,"elements":["Sb","Cl","O"],"chemical_system":"Cl-O-Sb","density":5.055665759412736,"density_atomic":0.05273167079703978,"volume":113.78361256736102,"volume_molar":11.42034885103255,"formula_full":"Sb2 Cl2 O2","formula_reduced":"SbClO","formula_anonymous":"ABC","energy":-31.21657809,"energy_per_atom":-5.2027630149999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.61457809,"band_gap":1.8554000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.619000Z","spacegroup":129},{"id":"mp-989195","created_at":"2022-09-04T14:45:10.811743Z","structure_string":"Sc2 Cl2 O2\n1.0\n3.571370 0.000000 0.000000\n0.000000 3.571370 0.000000\n0.000000 0.000000 7.956130\nSc Cl O\n2 2 2\ndirect\n0.000000 0.500000 0.134563 Sc\n0.500000 0.000000 0.865437 Sc\n0.000000 0.500000 0.676641 Cl\n0.500000 0.000000 0.323359 Cl\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n","nsites":6,"nelements":3,"elements":["Sc","Cl","O"],"chemical_system":"Cl-O-Sc","density":3.15516451550492,"density_atomic":0.05912616177709071,"volume":101.47792144229439,"volume_molar":10.18523878262865,"formula_full":"Sc2 Cl2 O2","formula_reduced":"ScClO","formula_anonymous":"ABC","energy":-45.93026745,"energy_per_atom":-7.655044575000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.32826745,"band_gap":3.6069,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.86e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.916000Z","spacegroup":129},{"id":"mp-989194","created_at":"2022-09-04T14:47:37.001913Z","structure_string":"Sn2 Br2 Cl2\n1.0\n6.073206 0.000000 0.000000\n0.000000 6.073206 0.000000\n0.000000 0.000000 5.734654\nSn Br Cl\n2 2 2\ndirect\n0.500000 0.000000 0.871959 Sn\n0.000000 0.500000 0.128041 Sn\n0.500000 0.500000 0.000000 Br\n0.000000 0.000000 0.000000 Br\n0.000000 0.500000 0.561332 Cl\n0.500000 0.000000 0.438668 Cl\n","nsites":6,"nelements":3,"elements":["Sn","Br","Cl"],"chemical_system":"Br-Cl-Sn","density":3.675158190900963,"density_atomic":0.028366647090603558,"volume":211.51600965866348,"volume_molar":21.229653052633182,"formula_full":"Sn2 Br2 Cl2","formula_reduced":"SnBrCl","formula_anonymous":"ABC","energy":-22.16402781,"energy_per_atom":-3.694004635,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.86802781,"band_gap":1.1451,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.55e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.106000Z","spacegroup":129}]}