{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10212","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10210","results":[{"id":"mp-1227400","created_at":"2022-09-04T14:47:46.936170Z","structure_string":"Ca20 Si4 P8 O48\n1.0\n6.794273 0.000000 0.000000\n0.000000 10.197197 0.000000\n0.000000 0.000000 15.560431\nCa Si P O\n20 4 8 48\ndirect\n0.210333 0.685741 0.497817 Ca\n0.710333 0.814259 0.502183 Ca\n0.289667 0.314259 0.997817 Ca\n0.789667 0.185741 0.002183 Ca\n0.884044 0.568236 0.659540 Ca\n0.384044 0.931764 0.340460 Ca\n0.615956 0.431764 0.159540 Ca\n0.115956 0.068236 0.840460 Ca\n0.618354 0.437644 0.843085 Ca\n0.118354 0.062356 0.156915 Ca\n0.881646 0.562356 0.343085 Ca\n0.381646 0.937644 0.656915 Ca\n0.077378 0.661465 0.856839 Ca\n0.577378 0.838535 0.143161 Ca\n0.422622 0.338535 0.356839 Ca\n0.922622 0.161465 0.643161 Ca\n0.414023 0.333468 0.643165 Ca\n0.914023 0.166532 0.356835 Ca\n0.085977 0.666532 0.143165 Ca\n0.585977 0.833468 0.856835 Ca\n0.898376 0.868495 0.677991 Si\n0.398376 0.631505 0.322009 Si\n0.601624 0.131505 0.177991 Si\n0.101624 0.368495 0.822009 Si\n0.223577 0.078283 0.499029 P\n0.723577 0.421717 0.500971 P\n0.276423 0.921717 0.999029 P\n0.776423 0.578283 0.000971 P\n0.601528 0.130867 0.822652 P\n0.101528 0.369133 0.177348 P\n0.898472 0.869133 0.322652 P\n0.398472 0.630867 0.677348 P\n0.715286 0.955996 0.637015 O\n0.215286 0.544004 0.362985 O\n0.784714 0.044004 0.137015 O\n0.284714 0.455996 0.862985 O\n0.774502 0.048236 0.859332 O\n0.274502 0.451764 0.140668 O\n0.725498 0.951764 0.359332 O\n0.225498 0.548236 0.640668 O\n0.295387 0.146895 0.582916 O\n0.795387 0.353105 0.417084 O\n0.204613 0.853105 0.082916 O\n0.704613 0.646895 0.917084 O\n0.205896 0.853518 0.914784 O\n0.705896 0.646482 0.085216 O\n0.294104 0.146482 0.414784 O\n0.794104 0.353518 0.585216 O\n0.995738 0.079879 0.499213 O\n0.495738 0.420121 0.500787 O\n0.504262 0.920121 0.999213 O\n0.004262 0.579879 0.000787 O\n0.066070 0.976593 0.706981 O\n0.566070 0.523407 0.293019 O\n0.433930 0.023407 0.206981 O\n0.933930 0.476593 0.793019 O\n0.442290 0.029266 0.795182 O\n0.942290 0.470734 0.204818 O\n0.057710 0.970734 0.295182 O\n0.557710 0.529266 0.704818 O\n0.840599 0.771305 0.758782 O\n0.340599 0.728695 0.241218 O\n0.659401 0.228695 0.258782 O\n0.159401 0.271305 0.741218 O\n0.656437 0.222556 0.746164 O\n0.156437 0.277444 0.253836 O\n0.843563 0.777444 0.246164 O\n0.343563 0.722556 0.753836 O\n0.315610 0.937127 0.500086 O\n0.815610 0.562873 0.499914 O\n0.184390 0.062873 0.000086 O\n0.684390 0.437127 0.999914 O\n0.975491 0.772861 0.598594 O\n0.475491 0.727139 0.401406 O\n0.524509 0.227139 0.098594 O\n0.024509 0.272861 0.901406 O\n0.526625 0.220321 0.896941 O\n0.026625 0.279679 0.103059 O\n0.973375 0.779679 0.396941 O\n0.473375 0.720321 0.603059 O\n","nsites":80,"nelements":4,"elements":["Ca","Si","P","O"],"chemical_system":"Ca-O-P-Si","density":2.9722491315561097,"density_atomic":0.07420694662040882,"volume":1078.066187108121,"volume_molar":8.115332909202003,"formula_full":"Ca20 Si4 P8 O48","formula_reduced":"Ca5Si(PO6)2","formula_anonymous":"AB2C5D12","energy":-613.58750035,"energy_per_atom":-7.669843754375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-580.61150035,"band_gap":4.7968,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001621,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.683000Z","spacegroup":19},{"id":"mp-764959","created_at":"2022-09-04T14:47:46.892646Z","structure_string":"V4 F20\n1.0\n5.607228 0.000000 0.000000\n0.000000 8.216175 0.000000\n0.000000 0.000000 8.265670\nV F\n4 20\ndirect\n0.232780 0.415392 0.750000 V\n0.267220 0.915392 0.250000 V\n0.732780 0.084608 0.750000 V\n0.767220 0.584608 0.250000 V\n0.997025 0.019567 0.250000 F\n0.066057 0.592924 0.750000 F\n0.070421 0.708463 0.250000 F\n0.225629 0.375267 0.960868 F\n0.225629 0.375267 0.539132 F\n0.274371 0.875267 0.039132 F\n0.274371 0.875267 0.460868 F\n0.429579 0.208463 0.750000 F\n0.433943 0.092924 0.250000 F\n0.502975 0.519567 0.750000 F\n0.497025 0.480433 0.250000 F\n0.566057 0.907076 0.750000 F\n0.570421 0.791537 0.250000 F\n0.725629 0.124733 0.539132 F\n0.725629 0.124733 0.960868 F\n0.774371 0.624733 0.039132 F\n0.774371 0.624733 0.460868 F\n0.929579 0.291537 0.750000 F\n0.933943 0.407076 0.250000 F\n0.002975 0.980433 0.750000 F\n","nsites":24,"nelements":2,"elements":["V","F"],"chemical_system":"F-V","density":2.545471130805674,"density_atomic":0.0630253524030446,"volume":380.79914010668216,"volume_molar":9.55510842920584,"formula_full":"V4 F20","formula_reduced":"VF5","formula_anonymous":"AB5","energy":-141.68826326,"energy_per_atom":-5.903677635833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.64826326,"band_gap":2.8066000000000004,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0027567,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.370000Z","spacegroup":62},{"id":"mp-849581","created_at":"2022-09-04T14:47:46.894204Z","structure_string":"V18 O44\n1.0\n3.653044 0.000000 0.000000\n0.000000 10.345764 0.000000\n0.000000 4.408666 21.377420\nV O\n18 44\ndirect\n0.250000 0.119184 0.973301 V\n0.750000 0.724249 0.909152 V\n0.250000 0.464910 0.938808 V\n0.250000 0.958251 0.715464 V\n0.750000 0.700581 0.745732 V\n0.250000 0.304872 0.685615 V\n0.750000 0.541755 0.632243 V\n0.250000 0.148007 0.570343 V\n0.750000 0.892055 0.593030 V\n0.250000 0.107945 0.406970 V\n0.750000 0.851993 0.429657 V\n0.250000 0.458245 0.367757 V\n0.750000 0.695128 0.314385 V\n0.250000 0.299419 0.254268 V\n0.750000 0.041749 0.284536 V\n0.750000 0.535090 0.061192 V\n0.250000 0.275751 0.090848 V\n0.750000 0.880816 0.026699 V\n0.750000 0.078390 0.995681 O\n0.250000 0.667072 0.920503 O\n0.250000 0.291287 0.989313 O\n0.750000 0.882091 0.906279 O\n0.750000 0.500153 0.953897 O\n0.250000 0.146451 0.898898 O\n0.750000 0.712932 0.827558 O\n0.250000 0.434210 0.869936 O\n0.250000 0.986050 0.784887 O\n0.250000 0.274191 0.760107 O\n0.750000 0.924775 0.698164 O\n0.750000 0.542554 0.749929 O\n0.250000 0.131816 0.666878 O\n0.250000 0.757322 0.734279 O\n0.250000 0.919630 0.608906 O\n0.750000 0.341208 0.663807 O\n0.250000 0.499034 0.656069 O\n0.750000 0.091268 0.574523 O\n0.750000 0.712393 0.644942 O\n0.250000 0.306165 0.563927 O\n0.750000 0.560755 0.557808 O\n0.250000 0.136862 0.480670 O\n0.750000 0.863138 0.519330 O\n0.250000 0.439245 0.442192 O\n0.750000 0.693835 0.436073 O\n0.250000 0.287607 0.355058 O\n0.250000 0.908732 0.425477 O\n0.750000 0.500966 0.343931 O\n0.250000 0.658792 0.336193 O\n0.750000 0.242678 0.265721 O\n0.750000 0.080370 0.391094 O\n0.750000 0.868184 0.333122 O\n0.250000 0.457446 0.250071 O\n0.250000 0.075225 0.301836 O\n0.750000 0.725809 0.239893 O\n0.750000 0.013950 0.215113 O\n0.750000 0.565790 0.130064 O\n0.250000 0.287068 0.172442 O\n0.750000 0.853549 0.101102 O\n0.250000 0.499847 0.046103 O\n0.250000 0.117909 0.093721 O\n0.750000 0.708713 0.010687 O\n0.750000 0.332928 0.079497 O\n0.250000 0.921610 0.004319 O\n","nsites":62,"nelements":2,"elements":["V","O"],"chemical_system":"O-V","density":3.3314866606232125,"density_atomic":0.0767394936106464,"volume":807.9281877278178,"volume_molar":7.8475117265622965,"formula_full":"V18 O44","formula_reduced":"V9O22","formula_anonymous":"A9B22","energy":-522.11266118,"energy_per_atom":-8.42117195451613,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-461.28466118,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.4633961,"is_theoretical":true,"updated_at":"2021-11-28T01:38:19.479000Z","spacegroup":11},{"id":"mp-1094362","created_at":"2022-09-04T14:47:46.942511Z","structure_string":"Mg4 Ti2\n1.0\n1.512031 -2.618915 0.000000\n1.512031 2.618915 0.000000\n0.000000 0.000000 15.369564\nMg Ti\n4 2\ndirect\n0.333333 0.666667 0.913599 Mg\n0.333333 0.666667 0.586401 Mg\n0.666667 0.333333 0.413599 Mg\n0.666667 0.333333 0.086401 Mg\n0.666667 0.333333 0.750000 Ti\n0.333333 0.666667 0.250000 Ti\n","nsites":6,"nelements":2,"elements":["Mg","Ti"],"chemical_system":"Mg-Ti","density":2.632262773091533,"density_atomic":0.04929213266066486,"volume":121.72327866811902,"volume_molar":12.217245298468637,"formula_full":"Mg4 Ti2","formula_reduced":"Mg2Ti","formula_anonymous":"AB2","energy":-21.31361252,"energy_per_atom":-3.5522687533333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.31361252,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8696112,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.768000Z","spacegroup":194},{"id":"mp-1223575","created_at":"2022-09-04T14:47:47.027433Z","structure_string":"K1 Na1 Ca1 Si8 Ni5 O24\n1.0\n-0.032517 0.000215 5.296263\n-9.770802 -0.002229 2.671857\n4.883235 -9.022561 -1.336305\nK Na Ca Si Ni O\n1 1 1 8 5 24\ndirect\n0.961707 0.519598 0.002512 K\n0.500106 0.725384 0.451625 Na\n0.499949 0.275381 0.551559 Ca\n0.697636 0.188787 0.830144 Si\n0.696311 0.359942 0.170401 Si\n0.303474 0.811107 0.170678 Si\n0.302193 0.641661 0.829794 Si\n0.192403 0.112890 0.659104 Si\n0.192441 0.456315 0.341324 Si\n0.807582 0.886089 0.342246 Si\n0.807453 0.546444 0.658089 Si\n0.000224 0.820742 0.641180 Ni\n0.999946 0.176916 0.353368 Ni\n0.500051 0.914620 0.829004 Ni\n0.500200 0.084453 0.168651 Ni\n0.999831 0.999859 0.999188 Ni\n0.892554 0.213140 0.734708 O\n0.898057 0.473758 0.261494 O\n0.100884 0.788131 0.261027 O\n0.106327 0.522478 0.735283 O\n0.400235 0.225112 0.766642 O\n0.397086 0.453559 0.229328 O\n0.603354 0.776296 0.229230 O\n0.600330 0.542308 0.766987 O\n0.205475 0.115937 0.506025 O\n0.202995 0.605044 0.498503 O\n0.796608 0.893037 0.498517 O\n0.794110 0.389845 0.506091 O\n0.700124 0.331079 0.999590 O\n0.302895 0.668536 0.999630 O\n0.786092 0.021235 0.824391 O\n0.785899 0.196612 0.175479 O\n0.214024 0.979260 0.175740 O\n0.213587 0.803323 0.824124 O\n0.276819 0.950247 0.668195 O\n0.280221 0.284841 0.338638 O\n0.719560 0.054211 0.338850 O\n0.722715 0.718185 0.667714 O\n0.306452 0.091249 0.997556 O\n0.694090 0.905489 0.997386 O\n","nsites":40,"nelements":6,"elements":["K","Na","Ca","Si","Ni","O"],"chemical_system":"Ca-K-Na-Ni-O-Si","density":3.577340369779202,"density_atomic":0.08580380365265933,"volume":466.17979969656363,"volume_molar":7.018500933103279,"formula_full":"K1 Na1 Ca1 Si8 Ni5 O24","formula_reduced":"KNaCaSi8Ni5O24","formula_anonymous":"ABCD5E8F24","energy":-300.50461708,"energy_per_atom":-7.512615427,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-271.31161708,"band_gap":0.4603000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9998978,"is_theoretical":true,"updated_at":"2021-11-28T01:38:19.643000Z","spacegroup":1},{"id":"mp-755016","created_at":"2022-09-04T14:47:54.856166Z","structure_string":"V6 O8 F4\n1.0\n5.617882 0.000000 0.000000\n1.350964 5.452615 0.000000\n2.019200 1.576268 6.633279\nV O F\n6 8 4\ndirect\n0.500000 0.500000 0.500000 V\n0.209382 0.122624 0.334035 V\n0.500000 0.500000 0.000000 V\n0.173509 0.167681 0.829650 V\n0.826491 0.832319 0.170350 V\n0.790618 0.877376 0.665965 V\n0.063857 0.066836 0.627544 O\n0.395378 0.391924 0.300773 O\n0.734411 0.737649 0.961400 O\n0.936143 0.933164 0.372456 O\n0.604622 0.608076 0.699227 O\n0.265589 0.262351 0.038600 O\n0.468179 0.862716 0.332992 O\n0.531821 0.137284 0.667008 O\n0.865261 0.466443 0.330688 F\n0.193710 0.803229 0.002229 F\n0.134739 0.533557 0.669312 F\n0.806290 0.196771 0.997771 F\n","nsites":18,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.1649043254797675,"density_atomic":0.08858634713054292,"volume":203.1915818074627,"volume_molar":6.798046149397754,"formula_full":"V6 O8 F4","formula_reduced":"V3(O2F)2","formula_anonymous":"A2B3C4","energy":-150.43719641,"energy_per_atom":-8.357622022777779,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.89319641,"band_gap":0.9618000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":10.0001685,"is_theoretical":true,"updated_at":"2021-11-28T01:39:55.308000Z","spacegroup":2},{"id":"mp-4559","created_at":"2022-09-04T14:47:54.879550Z","structure_string":"Ba1 C1 O3\n1.0\n3.516695 -2.696742 0.000000\n3.516695 2.696742 0.000000\n1.448726 0.000000 4.188168\nBa C O\n1 1 3\ndirect\n0.979170 0.979170 0.979170 Ba\n0.531212 0.531212 0.531212 C\n0.812475 0.394571 0.394571 O\n0.394571 0.812475 0.394571 O\n0.394571 0.394571 0.812475 O\n","nsites":5,"nelements":3,"elements":["Ba","C","O"],"chemical_system":"Ba-C-O","density":4.125028992514491,"density_atomic":0.0629421844696985,"volume":79.43798014203162,"volume_molar":9.567733962107983,"formula_full":"Ba1 C1 O3","formula_reduced":"BaCO3","formula_anonymous":"ABC3","energy":-39.29851323,"energy_per_atom":-7.859702646,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.23751323,"band_gap":4.3635,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003817,"is_theoretical":false,"updated_at":"2021-11-28T01:38:38.353000Z","spacegroup":160},{"id":"mp-1175609","created_at":"2022-09-04T14:47:54.885814Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n5.905165 0.000000 0.000000\n-1.483208 -6.271056 0.000000\n-1.956569 0.118371 -7.631356\nLi Mn Co O\n9 2 5 16\ndirect\n0.867158 0.879154 0.626263 Li\n0.874009 0.374986 0.114954 Li\n0.130371 0.127160 0.381199 Li\n0.117065 0.610668 0.875066 Li\n0.378671 0.371176 0.120135 Li\n0.393891 0.888085 0.627368 Li\n0.621598 0.620908 0.873465 Li\n0.614720 0.127250 0.386466 Li\n0.748589 0.247498 0.749089 Li\n0.999151 0.003010 0.995534 Mn\n0.996260 0.501100 0.504215 Mn\n0.247025 0.251237 0.749507 Co\n0.250367 0.751042 0.251550 Co\n0.499378 0.497658 0.503097 Co\n0.503559 0.999769 0.993453 Co\n0.752373 0.749424 0.248636 Co\n0.704733 0.935375 0.823514 O\n0.706431 0.451916 0.314024 O\n0.959679 0.207800 0.566239 O\n0.961192 0.701684 0.067843 O\n0.188118 0.461393 0.334857 O\n0.186512 0.955745 0.831228 O\n0.461147 0.708052 0.071505 O\n0.440016 0.210009 0.561025 O\n0.042170 0.798186 0.430647 O\n0.058393 0.293858 0.945858 O\n0.298620 0.043563 0.182920 O\n0.290858 0.552168 0.684936 O\n0.535404 0.289029 0.930598 O\n0.544401 0.794350 0.429130 O\n0.813395 0.554915 0.659785 O\n0.814747 0.041831 0.165896 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.248286965631554,"density_atomic":0.11323366092376128,"volume":282.6014785616194,"volume_molar":5.3183308840068575,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-209.09953461,"energy_per_atom":-6.5343604565625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.58153461,"band_gap":0.8140999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0002115,"is_theoretical":true,"updated_at":"2021-11-28T01:39:34.804000Z","spacegroup":1},{"id":"mp-1218600","created_at":"2022-09-04T14:47:54.898800Z","structure_string":"Sr2 Y1 Cr1 Cu2 O8\n1.0\n2.723958 -2.732177 0.000000\n2.723958 2.732177 0.000000\n0.000000 0.000000 11.446578\nSr Y Cr Cu O\n2 1 1 2 8\ndirect\n0.508977 0.491023 0.672655 Sr\n0.508977 0.491023 0.327345 Sr\n0.499269 0.500731 0.000000 Y\n0.032259 0.967741 0.500000 Cr\n0.000034 0.999966 0.848771 Cu\n0.000034 0.999966 0.151229 Cu\n0.999996 0.500405 0.874578 O\n0.499595 0.000004 0.874578 O\n0.999996 0.500405 0.125422 O\n0.499595 0.000004 0.125422 O\n0.994762 0.005238 0.662815 O\n0.994762 0.005238 0.337185 O\n0.025429 0.488635 0.500000 O\n0.511365 0.974571 0.500000 O\n","nsites":14,"nelements":5,"elements":["Sr","Y","Cr","Cu","O"],"chemical_system":"Cr-Cu-O-Sr-Y","density":5.567299088222699,"density_atomic":0.08216997028851937,"volume":170.37854523790733,"volume_molar":7.32888272790504,"formula_full":"Sr2 Y1 Cr1 Cu2 O8","formula_reduced":"Sr2YCr(CuO4)2","formula_anonymous":"ABC2D2E8","energy":-100.37323145,"energy_per_atom":-7.169516532142858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.87823145,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.4146206,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.777000Z","spacegroup":38},{"id":"mp-1223442","created_at":"2022-09-04T14:47:46.892906Z","structure_string":"K8 Sn8 Au8 Se24\n1.0\n8.557512 0.000000 0.000000\n0.000000 8.557512 0.000000\n0.000000 0.000000 20.296806\nK Sn Au Se\n8 8 8 24\ndirect\n0.500000 0.500000 0.245583 K\n0.500000 0.500000 0.745583 K\n0.000000 0.000000 0.399423 K\n0.000000 0.000000 0.899423 K\n0.000000 0.000000 0.601051 K\n0.000000 0.000000 0.101051 K\n0.500000 0.500000 0.449230 K\n0.500000 0.500000 0.949230 K\n0.000000 0.500000 0.088935 Sn\n0.500000 0.000000 0.088935 Sn\n0.000000 0.500000 0.588935 Sn\n0.500000 0.000000 0.588935 Sn\n0.000000 0.500000 0.911875 Sn\n0.500000 0.000000 0.911875 Sn\n0.000000 0.500000 0.411875 Sn\n0.500000 0.000000 0.411875 Sn\n0.998471 0.682963 0.249665 Au\n0.001529 0.317037 0.249665 Au\n0.317037 0.998471 0.249665 Au\n0.682963 0.001529 0.249665 Au\n0.001529 0.682963 0.749665 Au\n0.998471 0.317037 0.749665 Au\n0.682963 0.998471 0.749665 Au\n0.317037 0.001529 0.749665 Au\n0.333385 0.152860 0.499876 Se\n0.666615 0.847140 0.499876 Se\n0.847140 0.333385 0.499876 Se\n0.152860 0.666615 0.499876 Se\n0.666615 0.152860 0.999876 Se\n0.333385 0.847140 0.999876 Se\n0.152860 0.333385 0.999876 Se\n0.847140 0.666615 0.999876 Se\n0.323354 0.816371 0.344224 Se\n0.676646 0.183629 0.344224 Se\n0.183629 0.323354 0.344224 Se\n0.816371 0.676646 0.344224 Se\n0.676646 0.816371 0.844224 Se\n0.323354 0.183629 0.844224 Se\n0.816371 0.323354 0.844224 Se\n0.183629 0.676646 0.844224 Se\n0.677725 0.182394 0.656233 Se\n0.322275 0.817606 0.656233 Se\n0.817606 0.677725 0.656233 Se\n0.182394 0.322275 0.656233 Se\n0.322275 0.182394 0.156233 Se\n0.677725 0.817606 0.156233 Se\n0.182394 0.677725 0.156233 Se\n0.817606 0.322275 0.156233 Se\n","nsites":48,"nelements":4,"elements":["K","Sn","Au","Se"],"chemical_system":"Au-K-Se-Sn","density":5.287918987697528,"density_atomic":0.032293751797786055,"volume":1486.3556362407762,"volume_molar":18.648005960127733,"formula_full":"K8 Sn8 Au8 Se24","formula_reduced":"KSnAuSe3","formula_anonymous":"ABCD3","energy":-190.65921452,"energy_per_atom":-3.972066969166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-179.33121452,"band_gap":1.4172999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0683497,"is_theoretical":true,"updated_at":"2021-11-28T01:38:17.354000Z","spacegroup":103},{"id":"mp-1211177","created_at":"2022-09-04T14:47:54.879054Z","structure_string":"Li8 Cu2 Sb2 O12\n1.0\n4.339396 2.751904 0.000000\n-4.339396 2.751904 0.000000\n0.000000 0.802778 9.905263\nLi Cu Sb O\n8 2 2 12\ndirect\n0.658252 0.804896 0.502691 Li\n0.341748 0.195104 0.497309 Li\n0.195104 0.341748 0.997309 Li\n0.804896 0.658252 0.002691 Li\n0.581543 0.418457 0.750000 Li\n0.418457 0.581543 0.250000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.913431 0.086569 0.750000 Cu\n0.086569 0.913431 0.250000 Cu\n0.254347 0.745653 0.750000 Sb\n0.745653 0.254347 0.250000 Sb\n0.503778 0.700026 0.883620 O\n0.496222 0.299974 0.116380 O\n0.299974 0.496222 0.616380 O\n0.700026 0.503778 0.383620 O\n0.604375 0.086715 0.649888 O\n0.395625 0.913285 0.350112 O\n0.913285 0.395625 0.850112 O\n0.086715 0.604375 0.149888 O\n0.824686 0.972328 0.137206 O\n0.175314 0.027672 0.862794 O\n0.027672 0.175314 0.362794 O\n0.972328 0.824686 0.637206 O\n","nsites":24,"nelements":4,"elements":["Li","Cu","Sb","O"],"chemical_system":"Cu-Li-O-Sb","density":4.33882681916828,"density_atomic":0.10145014474814765,"volume":236.5694012520195,"volume_molar":5.936059307702424,"formula_full":"Li8 Cu2 Sb2 O12","formula_reduced":"Li4CuSbO6","formula_anonymous":"ABC4D6","energy":-137.67772413,"energy_per_atom":-5.73657183875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-129.43372413,"band_gap":0.5709,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026908,"is_theoretical":true,"updated_at":"2021-11-28T01:38:17.190000Z","spacegroup":15},{"id":"mp-1173173","created_at":"2022-09-04T14:47:54.885290Z","structure_string":"Sr2 La2 Ga2 Cu2 O10\n1.0\n4.998194 -0.166745 -1.971719\n-0.674753 5.192027 -2.119999\n0.689165 0.759790 9.127506\nSr La Ga Cu O\n2 2 2 2 10\ndirect\n0.344763 0.370163 0.776708 Sr\n0.845931 0.905983 0.776678 Sr\n0.066638 0.083584 0.208613 La\n0.565162 0.625291 0.208052 La\n0.240412 0.686647 0.500284 Ga\n0.739677 0.313635 0.500171 Ga\n0.453260 0.998457 0.992375 Cu\n0.952174 0.493828 0.992221 Cu\n0.210878 0.742545 0.998183 O\n0.083014 0.370492 0.484970 O\n0.066277 0.734172 0.307738 O\n0.283404 0.903266 0.701136 O\n0.219310 0.264003 0.028413 O\n0.711241 0.755739 0.999062 O\n0.583417 0.614192 0.484687 O\n0.564591 0.073969 0.307086 O\n0.780408 0.296516 0.700839 O\n0.721442 0.267519 0.032785 O\n","nsites":18,"nelements":5,"elements":["Sr","La","Ga","Cu","O"],"chemical_system":"Cu-Ga-La-O-Sr","density":5.791381586197543,"density_atomic":0.07137215191350944,"volume":252.19920539614455,"volume_molar":8.437661746976302,"formula_full":"Sr2 La2 Ga2 Cu2 O10","formula_reduced":"SrLaGaCuO5","formula_anonymous":"ABCDE5","energy":-124.75254341,"energy_per_atom":-6.930696856111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-117.88254341,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.007681,"is_theoretical":true,"updated_at":"2021-11-28T01:38:31.878000Z","spacegroup":9}]}