{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=10167","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=10165","results":[{"id":"mp-1225820","created_at":"2022-09-04T14:43:04.119531Z","structure_string":"Er3 Ga8 Ni3\n1.0\n2.062157 7.693494 0.000000\n-2.062157 7.693494 0.000000\n0.000000 5.750320 7.566544\nEr Ga Ni\n3 8 3\ndirect\n0.694717 0.694717 0.299910 Er\n0.312888 0.312888 0.683647 Er\n0.990526 0.990526 0.013223 Er\n0.496400 0.496400 0.714809 Ga\n0.499485 0.499485 0.280643 Ga\n0.846168 0.846168 0.416353 Ga\n0.158801 0.158801 0.564658 Ga\n0.841577 0.841577 0.891597 Ga\n0.160324 0.160324 0.104259 Ga\n0.999783 0.999783 0.499001 Ga\n0.655101 0.655101 0.739285 Ga\n0.341992 0.341992 0.285564 Ni\n0.656625 0.656625 0.982187 Ni\n0.345612 0.345612 0.024863 Ni\n","nsites":14,"nelements":3,"elements":["Er","Ga","Ni"],"chemical_system":"Er-Ga-Ni","density":8.546111886352456,"density_atomic":0.05831162334774267,"volume":240.08935433868282,"volume_molar":10.327513477179034,"formula_full":"Er3 Ga8 Ni3","formula_reduced":"Er3Ga8Ni3","formula_anonymous":"A3B3C8","energy":-62.95344162000001,"energy_per_atom":-4.496674401428572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.95344162000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0056762,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.420000Z","spacegroup":8},{"id":"mp-29260","created_at":"2022-09-04T14:43:04.119393Z","structure_string":"Ti2 Se4 O12\n1.0\n8.446635 0.000000 0.000000\n0.000000 4.875991 0.000000\n0.000000 2.587891 6.513892\nTi Se O\n2 4 12\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.640155 0.140330 0.179472 Se\n0.140155 0.859670 0.320528 Se\n0.359845 0.859670 0.820528 Se\n0.859845 0.140330 0.679472 Se\n0.153163 0.167700 0.096249 O\n0.653163 0.832300 0.403751 O\n0.846837 0.832300 0.903751 O\n0.346837 0.167700 0.596249 O\n0.051315 0.600249 0.244048 O\n0.551315 0.399751 0.255952 O\n0.661907 0.243978 0.670286 O\n0.161907 0.756022 0.829714 O\n0.338093 0.756022 0.329714 O\n0.838093 0.243978 0.170286 O\n0.448685 0.600249 0.744048 O\n0.948685 0.399751 0.755952 O\n","nsites":18,"nelements":3,"elements":["Ti","Se","O"],"chemical_system":"O-Se-Ti","density":3.735831361439292,"density_atomic":0.06709425399073018,"volume":268.27930753186257,"volume_molar":8.975643071956693,"formula_full":"Ti2 Se4 O12","formula_reduced":"Ti(SeO3)2","formula_anonymous":"AB2C6","energy":-124.71275329,"energy_per_atom":-6.928486293888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.46875329,"band_gap":2.2003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.31e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:58.698000Z","spacegroup":14},{"id":"mp-1190398","created_at":"2022-09-04T14:43:04.217882Z","structure_string":"Mn4 V4 Ga4 Co4\n1.0\n5.759982 0.000000 0.000000\n0.000000 5.759982 0.000000\n0.000000 0.000000 5.759982\nMn V Ga Co\n4 4 4 4\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.256609 0.256609 0.256609 V\n0.743391 0.743391 0.256609 V\n0.256609 0.743391 0.743391 V\n0.743391 0.256609 0.743391 V\n0.752385 0.752385 0.752385 Ga\n0.247615 0.247615 0.752385 Ga\n0.247615 0.752385 0.247615 Ga\n0.752385 0.247615 0.247615 Ga\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n","nsites":16,"nelements":4,"elements":["Mn","V","Ga","Co"],"chemical_system":"Co-Ga-Mn-V","density":8.151823024556116,"density_atomic":0.08372527909213462,"volume":191.10118441519873,"volume_molar":7.192738949694031,"formula_full":"Mn4 V4 Ga4 Co4","formula_reduced":"MnVGaCo","formula_anonymous":"ABCD","energy":-118.44257155,"energy_per_atom":-7.402660721875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-118.44257155,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.3214715,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.307000Z","spacegroup":215},{"id":"mp-1246698","created_at":"2022-09-04T14:43:04.253704Z","structure_string":"Mg2 V1 Ga3 S8\n1.0\n6.330568 0.034569 3.659062\n2.121474 6.019029 3.695993\n-0.012323 0.036364 7.339504\nMg V Ga S\n2 1 3 8\ndirect\n0.875176 0.874855 0.874920 Mg\n0.124826 0.125144 0.125085 Mg\n0.500009 0.000015 0.499971 V\n0.500002 0.500016 0.499981 Ga\n0.500009 0.499991 0.999999 Ga\n0.999998 0.499992 0.500021 Ga\n0.736245 0.744543 0.736614 S\n0.265386 0.255872 0.715745 S\n0.260047 0.717519 0.260162 S\n0.715702 0.255104 0.265630 S\n0.739942 0.282474 0.739838 S\n0.284295 0.744890 0.734375 S\n0.263746 0.255451 0.263399 S\n0.734622 0.744129 0.284261 S\n","nsites":14,"nelements":4,"elements":["Mg","V","Ga","S"],"chemical_system":"Ga-Mg-S-V","density":3.366264721379388,"density_atomic":0.050210428998637306,"volume":278.8265362237784,"volume_molar":11.993804634020233,"formula_full":"Mg2 V1 Ga3 S8","formula_reduced":"Mg2VGa3S8","formula_anonymous":"AB2C3D8","energy":-69.99572733,"energy_per_atom":-4.999694809285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.97172733,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999995,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.283000Z","spacegroup":166},{"id":"mp-628643","created_at":"2022-09-04T14:43:04.311731Z","structure_string":"Cu4 As4 Pb4 S12\n1.0\n7.704157 0.000000 0.000000\n0.000000 8.169134 0.000000\n0.000000 0.000000 8.907440\nCu As Pb S\n4 4 4 12\ndirect\n0.738536 0.777186 0.430267 Cu\n0.238536 0.222814 0.930267 Cu\n0.761464 0.222814 0.930267 Cu\n0.261464 0.777186 0.430267 Cu\n0.500000 0.433580 0.580076 As\n0.000000 0.002466 0.658559 As\n0.500000 0.997534 0.158559 As\n0.000000 0.566420 0.080076 As\n0.500000 0.577601 0.003216 Pb\n0.000000 0.422399 0.503216 Pb\n0.000000 0.056509 0.193080 Pb\n0.500000 0.943491 0.693080 Pb\n0.500000 0.751349 0.281766 S\n0.224570 0.054046 0.494991 S\n0.724570 0.945954 0.994991 S\n0.775430 0.054046 0.494991 S\n0.772931 0.393358 0.138992 S\n0.227069 0.393358 0.138992 S\n0.272931 0.606642 0.638992 S\n0.275430 0.945954 0.994991 S\n0.000000 0.248651 0.781766 S\n0.500000 0.279863 0.799959 S\n0.000000 0.720137 0.299959 S\n0.727069 0.606642 0.638992 S\n","nsites":24,"nelements":4,"elements":["Cu","As","Pb","S"],"chemical_system":"As-Cu-Pb-S","density":5.2353085484506865,"density_atomic":0.04281117932818478,"volume":560.6012349255601,"volume_molar":14.06674811229813,"formula_full":"Cu4 As4 Pb4 S12","formula_reduced":"CuAsPbS3","formula_anonymous":"ABCD3","energy":-112.89374746,"energy_per_atom":-4.703906144166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-106.85774746,"band_gap":0.5934999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0036282,"is_theoretical":false,"updated_at":"2021-11-28T01:36:01.506000Z","spacegroup":31},{"id":"mp-542428","created_at":"2022-09-04T14:43:04.386292Z","structure_string":"Ba22 Sb20\n1.0\n-6.421721 6.687305 9.918345\n6.421721 -6.687305 9.918345\n6.421721 6.687305 -9.918345\nBa Sb\n22 20\ndirect\n0.432897 0.110060 0.322837 Ba\n0.567103 0.889940 0.677163 Ba\n0.212777 0.889940 0.322837 Ba\n0.787223 0.110060 0.677163 Ba\n0.148896 0.148896 0.000000 Ba\n0.851104 0.851104 0.000000 Ba\n0.565322 0.313154 0.252168 Ba\n0.434678 0.686846 0.747832 Ba\n0.939013 0.686846 0.252168 Ba\n0.060987 0.313154 0.747832 Ba\n0.100182 0.428295 0.328113 Ba\n0.899818 0.227931 0.328113 Ba\n0.899818 0.571705 0.671887 Ba\n0.100182 0.772069 0.671887 Ba\n0.304088 0.553676 0.249588 Ba\n0.695912 0.945499 0.249588 Ba\n0.695912 0.446324 0.750412 Ba\n0.304088 0.054501 0.750412 Ba\n0.335238 0.326020 0.661258 Ba\n0.664762 0.326020 0.990782 Ba\n0.335238 0.673980 0.009218 Ba\n0.664762 0.673980 0.338742 Ba\n0.385752 0.385752 0.000000 Sb\n0.614248 0.614248 0.000000 Sb\n0.244897 0.744897 0.500000 Sb\n0.755103 0.255103 0.500000 Sb\n0.848838 0.500000 0.348838 Sb\n0.151162 0.500000 0.651162 Sb\n0.500000 0.114820 0.614820 Sb\n0.500000 0.885180 0.385180 Sb\n0.395215 0.398275 0.424389 Sb\n0.604785 0.029174 0.003060 Sb\n0.026115 0.601725 0.996940 Sb\n0.973885 0.970826 0.575611 Sb\n0.604785 0.601725 0.575611 Sb\n0.395215 0.970826 0.996940 Sb\n0.973885 0.398275 0.003060 Sb\n0.026115 0.029174 0.424389 Sb\n0.129902 0.109533 0.239435 Sb\n0.870098 0.109533 0.979630 Sb\n0.129902 0.890467 0.020370 Sb\n0.870098 0.890467 0.760565 Sb\n","nsites":42,"nelements":2,"elements":["Ba","Sb"],"chemical_system":"Ba-Sb","density":5.318057805305445,"density_atomic":0.024651736893380703,"volume":1703.733906525569,"volume_molar":24.428870006384898,"formula_full":"Ba22 Sb20","formula_reduced":"Ba11Sb10","formula_anonymous":"A10B11","energy":-171.00902349,"energy_per_atom":-4.0716434164285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-167.16902349,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002278,"is_theoretical":false,"updated_at":"2021-11-28T01:36:13.962000Z","spacegroup":71},{"id":"mp-12669","created_at":"2022-09-04T14:43:04.391984Z","structure_string":"Dy2 S1 O2\n1.0\n1.904836 -3.299272 0.000000\n1.904836 3.299272 0.000000\n0.000000 0.000000 6.614678\nDy S O\n2 1 2\ndirect\n0.666667 0.333333 0.717586 Dy\n0.333333 0.666667 0.282414 Dy\n0.000000 0.000000 0.000000 S\n0.666667 0.333333 0.370518 O\n0.333333 0.666667 0.629482 O\n","nsites":5,"nelements":3,"elements":["Dy","S","O"],"chemical_system":"Dy-O-S","density":7.770617049828794,"density_atomic":0.06013891511147598,"volume":83.14084134593703,"volume_molar":10.013716989801212,"formula_full":"Dy2 S1 O2","formula_reduced":"Dy2SO2","formula_anonymous":"AB2C2","energy":-41.19189093,"energy_per_atom":-8.238378186,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.31489093,"band_gap":3.0076000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.1e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.144000Z","spacegroup":164},{"id":"mp-1227935","created_at":"2022-09-04T14:43:04.393193Z","structure_string":"Ca20 Si3 Ge9 O44\n1.0\n5.433568 4.396333 -0.649591\n5.421916 -4.396727 -11.696706\n-5.446247 4.397164 -10.397875\nCa Si Ge O\n20 3 9 44\ndirect\n0.017994 0.132189 0.114239 Ca\n0.015795 0.632314 0.616450 Ca\n0.984135 0.867635 0.883590 Ca\n0.985152 0.368955 0.383738 Ca\n0.295649 0.852069 0.147821 Ca\n0.295471 0.352410 0.647868 Ca\n0.704286 0.647865 0.352125 Ca\n0.704507 0.147783 0.852398 Ca\n0.681806 0.411365 0.088200 Ca\n0.681989 0.907608 0.592241 Ca\n0.316825 0.591609 0.908550 Ca\n0.321570 0.089962 0.409228 Ca\n0.917854 0.392042 0.849925 Ca\n0.917757 0.891562 0.349519 Ca\n0.541861 0.579996 0.662051 Ca\n0.542307 0.079362 0.161665 Ca\n0.081934 0.608177 0.149655 Ca\n0.083313 0.107941 0.651716 Ca\n0.456556 0.421652 0.337930 Ca\n0.458183 0.919692 0.838193 Ca\n0.189550 0.325921 0.136575 Si\n0.189278 0.825934 0.636477 Si\n0.810625 0.674095 0.863588 Si\n0.811299 0.173625 0.362185 Ge\n0.436259 0.352437 0.915951 Ge\n0.436485 0.852283 0.415988 Ge\n0.563397 0.647674 0.084105 Ge\n0.560103 0.146906 0.587011 Ge\n0.208037 0.112467 0.904536 Ge\n0.207733 0.612695 0.404853 Ge\n0.792210 0.887247 0.094999 Ge\n0.792175 0.387490 0.595367 Ge\n0.344815 0.384937 0.039839 O\n0.344991 0.884783 0.540070 O\n0.655062 0.615171 0.959933 O\n0.645431 0.109973 0.464952 O\n0.632979 0.331554 0.698646 O\n0.632992 0.831587 0.198487 O\n0.366968 0.668310 0.301520 O\n0.367036 0.168471 0.801285 O\n0.281850 0.689909 0.706818 O\n0.282313 0.189868 0.207058 O\n0.983045 0.339103 0.057618 O\n0.982874 0.839728 0.557181 O\n0.714703 0.319313 0.288757 O\n0.718058 0.809952 0.793422 O\n0.016960 0.660581 0.942596 O\n0.030067 0.161599 0.446737 O\n0.232172 0.398508 0.809946 O\n0.232523 0.898340 0.309935 O\n0.588275 0.220462 0.987824 O\n0.588569 0.720325 0.488130 O\n0.767622 0.601848 0.189911 O\n0.767603 0.101812 0.690361 O\n0.411515 0.779646 0.011996 O\n0.411987 0.279856 0.512413 O\n0.836509 0.613103 0.776627 O\n0.836908 0.107120 0.270221 O\n0.163499 0.387071 0.223278 O\n0.163280 0.886646 0.723618 O\n0.144333 0.509876 0.364636 O\n0.144840 0.009199 0.865182 O\n0.855192 0.490595 0.635523 O\n0.855615 0.990192 0.134526 O\n0.578936 0.455234 0.875878 O\n0.579266 0.954788 0.375974 O\n0.419978 0.545513 0.123319 O\n0.418639 0.043866 0.627365 O\n0.299098 0.546990 0.559651 O\n0.299414 0.046860 0.059316 O\n0.987582 0.202942 0.903327 O\n0.987258 0.702687 0.403889 O\n0.700857 0.453320 0.440635 O\n0.700795 0.952968 0.940198 O\n0.012768 0.796972 0.096154 O\n0.012726 0.297458 0.596510 O\n","nsites":76,"nelements":4,"elements":["Ca","Si","Ge","O"],"chemical_system":"Ca-Ge-O-Si","density":3.5284623156759993,"density_atomic":0.07198039179696358,"volume":1055.843099803827,"volume_molar":8.366362851964967,"formula_full":"Ca20 Si3 Ge9 O44","formula_reduced":"Ca20Si3Ge9O44","formula_anonymous":"A3B9C20D44","energy":-547.0491964099999,"energy_per_atom":-7.198015742236841,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-516.82119641,"band_gap":3.8254,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0105004,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.354000Z","spacegroup":1},{"id":"mp-1041815","created_at":"2022-09-04T14:43:04.398151Z","structure_string":"Zn4 Sn8 O16\n1.0\n6.999255 0.000000 0.000000\n0.000000 6.223120 0.000000\n0.000000 5.269753 11.200591\nZn Sn O\n4 8 16\ndirect\n0.051977 0.500000 0.750000 Zn\n0.948023 0.500000 0.250000 Zn\n0.759826 0.000000 0.250000 Zn\n0.240174 0.000000 0.750000 Zn\n0.597176 0.302719 0.447450 Sn\n0.597176 0.697281 0.052550 Sn\n0.402824 0.697281 0.552550 Sn\n0.402824 0.302719 0.947450 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.114248 0.336956 0.397722 O\n0.114248 0.663044 0.102278 O\n0.885752 0.663044 0.602278 O\n0.885752 0.336956 0.897722 O\n0.833829 0.187235 0.574911 O\n0.833829 0.812765 0.925089 O\n0.166171 0.812765 0.425089 O\n0.166171 0.187235 0.074911 O\n0.232968 0.903909 0.621344 O\n0.232968 0.096091 0.878656 O\n0.787165 0.613899 0.362825 O\n0.787165 0.386101 0.137175 O\n0.767032 0.096091 0.378656 O\n0.767032 0.903909 0.121344 O\n0.212835 0.386101 0.637175 O\n0.212835 0.613899 0.862825 O\n","nsites":28,"nelements":3,"elements":["Zn","Sn","O"],"chemical_system":"O-Sn-Zn","density":4.9942350550134895,"density_atomic":0.05739275873164008,"volume":487.8664245941513,"volume_molar":10.49285814637109,"formula_full":"Zn4 Sn8 O16","formula_reduced":"Zn(SnO2)2","formula_anonymous":"AB2C4","energy":-164.7859971,"energy_per_atom":-5.885214182142858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-153.7939971,"band_gap":2.0424,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015856,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.095000Z","spacegroup":13},{"id":"mp-1030164","created_at":"2022-09-04T14:43:04.933580Z","structure_string":"Te4 Mo2 W2 Se4\n1.0\n1.718070 -2.975785 0.000000\n1.718070 2.975785 0.000000\n0.000000 0.000000 39.146721\nTe Mo W Se\n4 2 2 4\ndirect\n0.000000 0.000000 0.329255 Te\n0.333333 0.666667 0.046466 Te\n0.333333 0.666667 0.141359 Te\n0.000000 0.000000 0.234356 Te\n0.000000 0.000000 0.093895 Mo\n0.333333 0.666667 0.281821 Mo\n0.000000 0.000000 0.469676 W\n0.333333 0.666667 0.657535 W\n0.000000 0.000000 0.699538 Se\n0.333333 0.666667 0.427646 Se\n0.333333 0.666667 0.511674 Se\n0.000000 0.000000 0.615527 Se\n","nsites":12,"nelements":4,"elements":["Te","Mo","W","Se"],"chemical_system":"Mo-Se-Te-W","density":5.7488617318790896,"density_atomic":0.029978745479391552,"volume":400.2835945303056,"volume_molar":20.088034584835555,"formula_full":"Te4 Mo2 W2 Se4","formula_reduced":"Te2MoWSe2","formula_anonymous":"ABC2D2","energy":-82.38284227,"energy_per_atom":-6.865236855833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.80684227,"band_gap":2.1806,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.006558,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.596000Z","spacegroup":156},{"id":"mp-1214882","created_at":"2022-09-04T14:43:04.126640Z","structure_string":"Au4 I12 N4\n1.0\n10.079424 0.000000 0.000000\n0.000000 7.625739 0.000000\n0.000000 7.450421 10.396990\nAu I N\n4 12 4\ndirect\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n0.348350 0.238682 0.538782 I\n0.651650 0.761318 0.461218 I\n0.848350 0.761318 0.961218 I\n0.151650 0.238682 0.038782 I\n0.044743 0.361762 0.751607 I\n0.955257 0.638238 0.248393 I\n0.544743 0.638238 0.748393 I\n0.455257 0.361762 0.251607 I\n0.355654 0.815826 0.967860 I\n0.644346 0.184174 0.032140 I\n0.855654 0.184174 0.532140 I\n0.144346 0.815826 0.467860 I\n0.615953 0.177631 0.748252 N\n0.384047 0.822369 0.251748 N\n0.115953 0.822369 0.751748 N\n0.884047 0.177631 0.248252 N\n","nsites":20,"nelements":3,"elements":["Au","I","N"],"chemical_system":"Au-I-N","density":4.917853677229004,"density_atomic":0.025026765129852892,"volume":799.1444318204444,"volume_molar":24.062801279964695,"formula_full":"Au4 I12 N4","formula_reduced":"AuI3N","formula_anonymous":"ABC3","energy":-50.27187038999999,"energy_per_atom":-2.5135935194999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.27987039,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.297000Z","spacegroup":14},{"id":"mp-571305","created_at":"2022-09-04T14:43:04.141929Z","structure_string":"Rb4 Cu4 Cl12\n1.0\n3.498734 6.119219 0.000000\n-3.498734 6.119219 0.000000\n0.000000 0.160466 12.587835\nRb Cu Cl\n4 4 12\ndirect\n0.336759 0.322102 0.125085 Rb\n0.380203 0.290782 0.623712 Rb\n0.677898 0.663241 0.874915 Rb\n0.709218 0.619797 0.376288 Rb\n0.981638 0.018362 0.000000 Cu\n0.022986 0.970599 0.250333 Cu\n0.076515 0.923485 0.500000 Cu\n0.029401 0.977014 0.749667 Cu\n0.667653 0.163238 0.900018 Cl\n0.392151 0.781090 0.599458 Cl\n0.763410 0.089152 0.389659 Cl\n0.287829 0.845820 0.113380 Cl\n0.880992 0.798843 0.662192 Cl\n0.175134 0.156646 0.837557 Cl\n0.836762 0.332347 0.099982 Cl\n0.910848 0.236590 0.610341 Cl\n0.218910 0.607849 0.400542 Cl\n0.201157 0.119008 0.337808 Cl\n0.843354 0.824866 0.162443 Cl\n0.154180 0.712171 0.886620 Cl\n","nsites":20,"nelements":3,"elements":["Rb","Cu","Cl"],"chemical_system":"Cl-Cu-Rb","density":3.1469929355984063,"density_atomic":0.03710582026638801,"volume":538.9989995212916,"volume_molar":16.229639223081957,"formula_full":"Rb4 Cu4 Cl12","formula_reduced":"RbCuCl3","formula_anonymous":"ABC3","energy":-71.75748895,"energy_per_atom":-3.5878744475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.38948895,"band_gap":0.3274,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9998867,"is_theoretical":false,"updated_at":"2021-11-28T01:36:04.774000Z","spacegroup":5}]}