{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=10182","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=10180","results":[{"id":"mp-1110668","created_at":"2022-09-04T14:43:23.124065Z","structure_string":"Rb2 Li1 Mo1 Cl6\n1.0\n0.000000 5.086448 5.086448\n5.086448 0.000000 5.086448\n5.086448 5.086448 0.000000\nRb Li Mo Cl\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 Li\n0.000000 0.000000 0.000000 Mo\n0.757270 0.242730 0.242730 Cl\n0.242730 0.242730 0.757270 Cl\n0.242730 0.757270 0.757270 Cl\n0.242730 0.757270 0.242730 Cl\n0.757270 0.242730 0.757270 Cl\n0.757270 0.757270 0.242730 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Li","Mo","Cl"],"chemical_system":"Cl-Li-Mo-Rb","density":3.0696510270660964,"density_atomic":0.03799497625751369,"volume":263.19268979731106,"volume_molar":15.849834249624232,"formula_full":"Rb2 Li1 Mo1 Cl6","formula_reduced":"Rb2LiMoCl6","formula_anonymous":"ABC2D6","energy":-44.52588703,"energy_per_atom":-4.452588703,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.84188703000001,"band_gap":1.5379999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9991633,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.463000Z","spacegroup":225},{"id":"mp-1110654","created_at":"2022-09-04T14:45:07.136345Z","structure_string":"Rb2 Li1 Mo1 F6\n1.0\n6.011477 0.000000 0.000000\n3.005739 5.206092 0.000000\n3.005739 1.735364 4.908351\nRb Li Mo F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mo\n0.245557 0.754443 0.245557 F\n0.754443 0.754443 0.245557 F\n0.754443 0.245557 0.754443 F\n0.754443 0.245557 0.245557 F\n0.245557 0.754443 0.754443 F\n0.245557 0.245557 0.754443 F\n","nsites":10,"nelements":4,"elements":["Rb","Li","Mo","F"],"chemical_system":"F-Li-Mo-Rb","density":4.192143328199924,"density_atomic":0.0650985566721253,"volume":153.61323677828824,"volume_molar":9.250805344780607,"formula_full":"Rb2 Li1 Mo1 F6","formula_reduced":"Rb2LiMoF6","formula_anonymous":"ABC2D6","energy":-56.09144239,"energy_per_atom":-5.609144239,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.11744239000001,"band_gap":4.622999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9999862,"is_theoretical":true,"updated_at":"2021-11-28T01:36:51.374000Z","spacegroup":225},{"id":"mp-1110749","created_at":"2022-09-04T14:42:11.132753Z","structure_string":"Rb2 Li1 Mo1 I6\n1.0\n0.000000 5.829282 5.829282\n5.829282 0.000000 5.829282\n5.829282 5.829282 0.000000\nRb Li Mo I\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 Li\n0.000000 0.000000 0.000000 Mo\n0.757667 0.242333 0.242333 I\n0.242333 0.242333 0.757667 I\n0.242333 0.757667 0.757667 I\n0.242333 0.757667 0.242333 I\n0.757667 0.242333 0.757667 I\n0.757667 0.757667 0.242333 I\n","nsites":10,"nelements":4,"elements":["Rb","Li","Mo","I"],"chemical_system":"I-Li-Mo-Rb","density":4.3392671065515325,"density_atomic":0.025242060770520807,"volume":396.16416785108925,"volume_molar":23.85756382867526,"formula_full":"Rb2 Li1 Mo1 I6","formula_reduced":"Rb2LiMoI6","formula_anonymous":"ABC2D6","energy":-34.80921042,"energy_per_atom":-3.480921042,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.53521042,"band_gap":0.9751999999999996,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.9995557,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.339000Z","spacegroup":225},{"id":"mp-556209","created_at":"2022-09-04T14:39:28.113387Z","structure_string":"Rb2 Li2 Mo2 O8\n1.0\n2.900145 4.971224 0.000000\n-2.900145 4.971224 0.000000\n0.000000 3.627477 9.568834\nRb Li Mo O\n2 2 2 8\ndirect\n0.476277 0.028958 0.497711 Rb\n0.028958 0.476277 0.997711 Rb\n0.616753 0.132321 0.127597 Li\n0.132321 0.616753 0.627597 Li\n0.747685 0.251327 0.751888 Mo\n0.251327 0.747685 0.251888 Mo\n0.916151 0.997286 0.222933 O\n0.702772 0.274846 0.929837 O\n0.317619 0.429403 0.218457 O\n0.429403 0.317619 0.718457 O\n0.274846 0.702772 0.429837 O\n0.862755 0.495646 0.636578 O\n0.495646 0.862755 0.136578 O\n0.997286 0.916151 0.722933 O\n","nsites":14,"nelements":4,"elements":["Rb","Li","Mo","O"],"chemical_system":"Li-Mo-O-Rb","density":3.037415086441005,"density_atomic":0.05074064398141434,"volume":275.9129349073304,"volume_molar":11.868475225119008,"formula_full":"Rb2 Li2 Mo2 O8","formula_reduced":"RbLiMoO4","formula_anonymous":"ABCD4","energy":-98.66103794,"energy_per_atom":-7.047216995714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.76103794,"band_gap":4.4196,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:36.252000Z","spacegroup":9},{"id":"mp-1204616","created_at":"2022-09-04T14:44:26.946543Z","structure_string":"Rb8 Li8 Mo8 O40\n1.0\n7.937636 0.000000 0.000000\n0.000000 11.065445 0.000000\n0.000000 0.000000 12.981077\nRb Li Mo O\n8 8 8 40\ndirect\n0.808400 0.703402 0.371707 Rb\n0.308400 0.296598 0.128293 Rb\n0.191600 0.796598 0.871707 Rb\n0.691600 0.203402 0.628293 Rb\n0.191600 0.296598 0.628293 Rb\n0.691600 0.703402 0.871707 Rb\n0.808400 0.203402 0.128293 Rb\n0.308400 0.796598 0.371707 Rb\n0.984027 0.417034 0.323547 Li\n0.484027 0.582966 0.176453 Li\n0.015973 0.082966 0.823547 Li\n0.515973 0.917034 0.676453 Li\n0.015973 0.582966 0.676453 Li\n0.515973 0.417034 0.823547 Li\n0.984027 0.917034 0.176453 Li\n0.484027 0.082966 0.323547 Li\n0.062773 0.623251 0.125936 Mo\n0.562774 0.376749 0.374064 Mo\n0.937226 0.876749 0.625936 Mo\n0.437227 0.123251 0.874064 Mo\n0.937226 0.376749 0.874064 Mo\n0.437227 0.623251 0.625936 Mo\n0.062773 0.123251 0.374064 Mo\n0.562774 0.876749 0.125936 Mo\n0.941335 0.511900 0.197842 O\n0.441335 0.488100 0.302158 O\n0.058665 0.988100 0.697842 O\n0.558665 0.011900 0.802158 O\n0.058665 0.488100 0.802158 O\n0.558665 0.511900 0.697842 O\n0.941335 0.011900 0.302158 O\n0.441335 0.988100 0.197842 O\n0.966866 0.662000 0.007776 O\n0.466866 0.338000 0.492224 O\n0.033134 0.838000 0.507776 O\n0.533134 0.162000 0.992224 O\n0.033134 0.338000 0.992224 O\n0.533134 0.662000 0.507776 O\n0.966866 0.162000 0.492224 O\n0.466866 0.838000 0.007776 O\n0.073531 0.758234 0.204463 O\n0.573531 0.241766 0.295537 O\n0.926469 0.741766 0.704463 O\n0.426469 0.258234 0.795537 O\n0.926469 0.241766 0.795537 O\n0.426469 0.758234 0.704463 O\n0.073531 0.258234 0.295537 O\n0.573531 0.741766 0.204463 O\n0.273759 0.567275 0.102859 O\n0.773759 0.432725 0.397141 O\n0.726241 0.932725 0.602859 O\n0.226241 0.067275 0.897141 O\n0.726241 0.432725 0.897141 O\n0.226241 0.567275 0.602859 O\n0.273759 0.067275 0.397141 O\n0.773759 0.932725 0.102859 O\n0.145197 0.543699 0.396066 O\n0.645197 0.456301 0.103934 O\n0.854803 0.956301 0.896066 O\n0.354803 0.043699 0.603934 O\n0.854803 0.456301 0.603934 O\n0.354803 0.543699 0.896066 O\n0.145197 0.043699 0.103934 O\n0.645197 0.956301 0.396066 O\n","nsites":64,"nelements":4,"elements":["Rb","Li","Mo","O"],"chemical_system":"Li-Mo-O-Rb","density":3.126533579905253,"density_atomic":0.05613182785961351,"volume":1140.173096804631,"volume_molar":10.728566999566555,"formula_full":"Rb8 Li8 Mo8 O40","formula_reduced":"RbLiMoO5","formula_anonymous":"ABCD5","energy":-416.43064338,"energy_per_atom":-6.5067288028125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-363.33464338,"band_gap":0.4712,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.007888,"is_theoretical":false,"updated_at":"2021-11-28T01:36:41.520000Z","spacegroup":61},{"id":"mp-1110630","created_at":"2022-09-04T14:43:04.810344Z","structure_string":"Rb2 Li1 Nb1 F6\n1.0\n0.000000 4.271549 4.271549\n4.271549 0.000000 4.271549\n4.271549 4.271549 0.000000\nRb Li Nb F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nb\n0.248223 0.248223 0.751777 F\n0.248223 0.751777 0.751777 F\n0.751777 0.751777 0.248223 F\n0.248223 0.751777 0.248223 F\n0.751777 0.248223 0.751777 F\n0.751777 0.248223 0.248223 F\n","nsites":10,"nelements":4,"elements":["Rb","Li","Nb","F"],"chemical_system":"F-Li-Nb-Rb","density":4.098906048791942,"density_atomic":0.06415253561626887,"volume":155.87848405268699,"volume_molar":9.387221724206963,"formula_full":"Rb2 Li1 Nb1 F6","formula_reduced":"Rb2LiNbF6","formula_anonymous":"ABC2D6","energy":-55.68334042,"energy_per_atom":-5.568334042,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.91134042,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999986,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.370000Z","spacegroup":225},{"id":"mp-553962","created_at":"2022-09-04T14:40:32.963185Z","structure_string":"Rb8 Li4 Nb4 S16\n1.0\n7.188016 0.000000 0.000000\n1.265527 11.499125 0.000000\n0.487569 3.793884 11.448348\nRb Li Nb S\n8 4 4 16\ndirect\n0.263884 0.376079 0.276688 Rb\n0.736116 0.623921 0.723312 Rb\n0.752075 0.154610 0.857280 Rb\n0.751480 0.650377 0.349189 Rb\n0.247925 0.845390 0.142720 Rb\n0.684380 0.097280 0.249615 Rb\n0.315620 0.902720 0.750385 Rb\n0.248520 0.349623 0.650811 Rb\n0.176784 0.011303 0.415298 Li\n0.778210 0.478188 0.070939 Li\n0.823216 0.988697 0.584702 Li\n0.221790 0.521812 0.929061 Li\n0.217760 0.230829 0.014359 Nb\n0.782240 0.769171 0.985641 Nb\n0.775685 0.272614 0.485585 Nb\n0.224315 0.727386 0.514415 Nb\n0.761967 0.378788 0.289692 S\n0.252730 0.599730 0.402931 S\n0.747270 0.400270 0.597069 S\n0.947130 0.853457 0.467743 S\n0.238033 0.621212 0.710308 S\n0.545526 0.143753 0.531428 S\n0.031947 0.626315 0.059690 S\n0.732150 0.894638 0.099054 S\n0.531965 0.659927 0.994217 S\n0.968053 0.373685 0.940310 S\n0.052870 0.146543 0.532257 S\n0.170845 0.117522 0.205328 S\n0.454474 0.856247 0.468572 S\n0.267850 0.105362 0.900946 S\n0.468035 0.340073 0.005783 S\n0.829155 0.882478 0.794672 S\n","nsites":32,"nelements":4,"elements":["Rb","Li","Nb","S"],"chemical_system":"Li-Nb-Rb-S","density":2.800993566986309,"density_atomic":0.033816863605169056,"volume":946.273444327009,"volume_molar":17.808099622460222,"formula_full":"Rb8 Li4 Nb4 S16","formula_reduced":"Rb2LiNbS4","formula_anonymous":"ABC2D4","energy":-169.19457672,"energy_per_atom":-5.2873305225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-161.14657672,"band_gap":2.1595,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029267,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.663000Z","spacegroup":2},{"id":"mp-1110710","created_at":"2022-09-04T14:40:11.151734Z","structure_string":"Rb2 Li1 Nd1 Br6\n1.0\n0.000000 5.631595 5.631595\n5.631595 0.000000 5.631595\n5.631595 5.631595 0.000000\nRb Li Nd Br\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 Li\n0.000000 0.000000 0.000000 Nd\n0.744284 0.255716 0.255716 Br\n0.255716 0.255716 0.744284 Br\n0.255716 0.744284 0.744284 Br\n0.255716 0.744284 0.255716 Br\n0.744284 0.255716 0.744284 Br\n0.744284 0.744284 0.255716 Br\n","nsites":10,"nelements":4,"elements":["Rb","Li","Nd","Br"],"chemical_system":"Br-Li-Nd-Rb","density":3.7260739228321693,"density_atomic":0.027994696293391175,"volume":357.21051927827995,"volume_molar":21.511720280464957,"formula_full":"Rb2 Li1 Nd1 Br6","formula_reduced":"Rb2LiNdBr6","formula_anonymous":"ABC2D6","energy":-39.50974205,"energy_per_atom":-3.950974205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.30574205,"band_gap":4.001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003496,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.741000Z","spacegroup":225},{"id":"mp-1110682","created_at":"2022-09-04T14:40:15.101371Z","structure_string":"Rb2 Li1 Nd1 Cl6\n1.0\n0.000000 5.325808 5.325808\n5.325808 0.000000 5.325808\n5.325808 5.325808 0.000000\nRb Li Nd Cl\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 Li\n0.000000 0.000000 0.000000 Nd\n0.744005 0.255995 0.255995 Cl\n0.255995 0.255995 0.744005 Cl\n0.255995 0.744005 0.744005 Cl\n0.255995 0.744005 0.255995 Cl\n0.744005 0.255995 0.744005 Cl\n0.744005 0.744005 0.255995 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Li","Nd","Cl"],"chemical_system":"Cl-Li-Nd-Rb","density":2.9395693063235293,"density_atomic":0.033098894396108,"volume":302.12489518005987,"volume_molar":18.19438645874566,"formula_full":"Rb2 Li1 Nd1 Cl6","formula_reduced":"Rb2LiNdCl6","formula_anonymous":"ABC2D6","energy":-44.10962945,"energy_per_atom":-4.410962945,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.42562945,"band_gap":4.8504000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.64e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.850000Z","spacegroup":225},{"id":"mp-1110653","created_at":"2022-09-04T14:45:39.509668Z","structure_string":"Rb2 Li1 Nd1 F6\n1.0\n0.000000 4.433714 4.433714\n4.433714 0.000000 4.433714\n4.433714 4.433714 0.000000\nRb Li Nd 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 Li\n0.000000 0.000000 0.000000 Nd\n0.742556 0.257444 0.257444 F\n0.257444 0.257444 0.742556 F\n0.257444 0.742556 0.742556 F\n0.257444 0.742556 0.257444 F\n0.742556 0.257444 0.742556 F\n0.742556 0.742556 0.257444 F\n","nsites":10,"nelements":4,"elements":["Rb","Li","Nd","F"],"chemical_system":"F-Li-Nd-Rb","density":4.154427119947654,"density_atomic":0.05736763928438389,"volume":174.314302013158,"volume_molar":10.497452632043887,"formula_full":"Rb2 Li1 Nd1 F6","formula_reduced":"Rb2LiNdF6","formula_anonymous":"ABC2D6","energy":-55.41986010000001,"energy_per_atom":-5.5419860100000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.6478601,"band_gap":6.6083,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0024344,"is_theoretical":true,"updated_at":"2021-11-28T01:37:05.276000Z","spacegroup":225},{"id":"mp-1110748","created_at":"2022-09-04T14:45:42.584317Z","structure_string":"Rb2 Li1 Nd1 I6\n1.0\n0.000000 6.087212 6.087212\n6.087212 0.000000 6.087212\n6.087212 6.087212 0.000000\nRb Li Nd I\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 Li\n0.000000 0.000000 0.000000 Nd\n0.745062 0.254938 0.254938 I\n0.254938 0.254938 0.745062 I\n0.254938 0.745062 0.745062 I\n0.254938 0.745062 0.254938 I\n0.745062 0.254938 0.745062 I\n0.745062 0.745062 0.254938 I\n","nsites":10,"nelements":4,"elements":["Rb","Li","Nd","I"],"chemical_system":"I-Li-Nd-Rb","density":3.9885123474477813,"density_atomic":0.022167398195111335,"volume":451.11293224323185,"volume_molar":27.166655766250845,"formula_full":"Rb2 Li1 Nd1 I6","formula_reduced":"Rb2LiNdI6","formula_anonymous":"ABC2D6","energy":-34.02906674,"energy_per_atom":-3.4029066739999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.755066740000004,"band_gap":2.9632,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0444034,"is_theoretical":true,"updated_at":"2021-11-28T01:37:13.769000Z","spacegroup":225},{"id":"mp-1113709","created_at":"2022-09-04T14:46:36.338454Z","structure_string":"Rb2 Li1 Ni1 F6\n1.0\n5.846093 0.000000 0.000000\n2.923047 5.062865 0.000000\n2.923047 1.687622 4.773315\nRb Li Ni F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ni\n0.232864 0.767136 0.232864 F\n0.767136 0.767136 0.232864 F\n0.767136 0.232864 0.767136 F\n0.767136 0.232864 0.232864 F\n0.232864 0.767136 0.767136 F\n0.232864 0.232864 0.767136 F\n","nsites":10,"nelements":4,"elements":["Rb","Li","Ni","F"],"chemical_system":"F-Li-Ni-Rb","density":4.120309264179101,"density_atomic":0.07078118638954846,"volume":141.28048016833748,"volume_molar":8.50810938214117,"formula_full":"Rb2 Li1 Ni1 F6","formula_reduced":"Rb2LiNiF6","formula_anonymous":"ABC2D6","energy":-47.228383050000005,"energy_per_atom":-4.722838305000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.91538305,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.000461,"is_theoretical":true,"updated_at":"2021-11-28T01:37:43.279000Z","spacegroup":225}]}