{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density_atomic&page=12121","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density_atomic&page=12119","results":[{"id":"mp-769566","created_at":"2022-09-04T14:47:18.418767Z","structure_string":"Li10 Fe4 Co6 O20\n1.0\n2.874358 0.000000 0.000000\n0.000000 5.046289 0.000000\n0.000000 1.811151 23.476743\nLi Fe Co O\n10 4 6 20\ndirect\n0.500000 0.199097 0.899184 Li\n0.000000 0.400007 0.800120 Li\n0.500000 0.599835 0.700686 Li\n0.000000 0.801694 0.601218 Li\n0.500000 0.000578 0.500733 Li\n0.000000 0.201102 0.400558 Li\n0.500000 0.400478 0.300396 Li\n0.000000 0.599922 0.199739 Li\n0.500000 0.799887 0.099112 Li\n0.000000 0.998065 0.998265 Li\n0.000000 0.498545 0.502157 Fe\n0.000000 0.893918 0.303686 Fe\n0.500000 0.100321 0.199582 Fe\n0.000000 0.306269 0.095416 Fe\n0.000000 0.700821 0.898103 Co\n0.500000 0.900500 0.799611 Co\n0.000000 0.099875 0.700565 Co\n0.500000 0.298320 0.601601 Co\n0.500000 0.696240 0.403218 Co\n0.500000 0.504926 0.996071 Co\n0.000000 0.382759 0.949546 O\n0.500000 0.820527 0.945106 O\n0.000000 0.020408 0.847112 O\n0.500000 0.580127 0.851016 O\n0.000000 0.780514 0.752249 O\n0.500000 0.219625 0.748062 O\n0.000000 0.418707 0.648833 O\n0.000000 0.175041 0.554263 O\n0.500000 0.980184 0.653107 O\n0.500000 0.620904 0.550359 O\n0.500000 0.377886 0.453912 O\n0.000000 0.820810 0.449623 O\n0.000000 0.564796 0.356791 O\n0.500000 0.027724 0.353682 O\n0.000000 0.236391 0.250388 O\n0.500000 0.760665 0.252209 O\n0.000000 0.964191 0.148840 O\n0.500000 0.439532 0.146890 O\n0.500000 0.172280 0.045459 O\n0.000000 0.636526 0.042533 O\n","nsites":40,"nelements":4,"elements":["Li","Fe","Co","O"],"chemical_system":"Co-Fe-Li-O","density":4.712430259125337,"density_atomic":0.11746518536626109,"volume":340.5264281095579,"volume_molar":5.126745206439446,"formula_full":"Li10 Fe4 Co6 O20","formula_reduced":"Li5Fe2Co3O10","formula_anonymous":"A2B3C5D10","energy":-266.94345215,"energy_per_atom":-6.67358630375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-234.35145215,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":20.0013237,"is_theoretical":true,"updated_at":"2021-11-28T01:38:01.829000Z","spacegroup":6},{"id":"mp-1246069","created_at":"2022-09-04T14:45:07.820421Z","structure_string":"Fe16 C4 N16\n1.0\n9.983048 0.000000 0.000000\n0.000000 2.708465 0.000000\n0.000000 0.000000 11.334012\nFe C N\n16 4 16\ndirect\n0.114365 0.250000 0.138823 Fe\n0.614365 0.250000 0.361177 Fe\n0.885635 0.750000 0.861177 Fe\n0.385635 0.750000 0.638823 Fe\n0.883364 0.250000 0.072851 Fe\n0.383364 0.250000 0.427149 Fe\n0.116636 0.750000 0.927149 Fe\n0.616636 0.750000 0.572851 Fe\n0.437317 0.250000 0.850740 Fe\n0.937317 0.250000 0.649260 Fe\n0.562683 0.750000 0.149260 Fe\n0.062683 0.750000 0.350740 Fe\n0.182601 0.250000 0.732076 Fe\n0.682601 0.250000 0.767924 Fe\n0.817399 0.750000 0.267924 Fe\n0.317399 0.750000 0.232076 Fe\n0.360823 0.250000 0.004573 C\n0.860823 0.250000 0.495427 C\n0.639177 0.750000 0.995427 C\n0.139177 0.750000 0.504573 C\n0.696985 0.250000 0.215139 N\n0.196985 0.250000 0.284861 N\n0.303015 0.750000 0.784861 N\n0.803015 0.750000 0.715139 N\n0.021095 0.250000 0.830294 N\n0.521095 0.250000 0.669706 N\n0.978905 0.750000 0.169706 N\n0.478905 0.750000 0.330294 N\n0.225638 0.250000 0.006314 N\n0.725638 0.250000 0.493686 N\n0.774362 0.750000 0.993686 N\n0.274362 0.750000 0.506314 N\n0.424359 0.250000 0.111866 N\n0.924359 0.250000 0.388134 N\n0.575641 0.750000 0.888134 N\n0.075641 0.750000 0.611866 N\n","nsites":36,"nelements":3,"elements":["Fe","C","N"],"chemical_system":"C-Fe-N","density":6.316182379559775,"density_atomic":0.11747148140319962,"volume":306.45735943719404,"volume_molar":5.126470431857491,"formula_full":"Fe16 C4 N16","formula_reduced":"Fe4CN4","formula_anonymous":"AB4C4","energy":-303.78176585,"energy_per_atom":-8.438382384722223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-298.00576585,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.6885508,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.335000Z","spacegroup":62},{"id":"mp-753536","created_at":"2022-09-04T14:47:01.981314Z","structure_string":"Li4 Co2 Ni2 O8\n1.0\n-2.867509 2.877165 4.127210\n2.867509 -2.877165 4.127210\n2.867509 2.877165 -4.127210\nLi Co Ni O\n4 2 2 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.771481 0.749835 0.021646 O\n0.766167 0.247972 0.981805 O\n0.233833 0.215638 0.481805 O\n0.771811 0.250165 0.521646 O\n0.228189 0.749835 0.478354 O\n0.766167 0.784362 0.518195 O\n0.233833 0.752028 0.018195 O\n0.228519 0.250165 0.978354 O\n","nsites":16,"nelements":4,"elements":["Li","Co","Ni","O"],"chemical_system":"Co-Li-Ni-O","density":4.767091631301417,"density_atomic":0.1174718656027695,"volume":136.20282539909527,"volume_molar":5.126453665394093,"formula_full":"Li4 Co2 Ni2 O8","formula_reduced":"Li2CoNiO4","formula_anonymous":"ABC2D4","energy":-98.97111319,"energy_per_atom":-6.185694574375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.11711319,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9927062,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.450000Z","spacegroup":74},{"id":"mp-1203595","created_at":"2022-09-04T14:44:56.438239Z","structure_string":"Zn2 H16 N4 O4 F8\n1.0\n-0.092981 0.000000 -5.746162\n0.000000 -5.998056 0.000000\n-8.388242 0.000000 0.546004\nZn H N O F\n2 16 4 4 8\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.464768 0.169996 0.740465 H\n0.035232 0.669996 0.259535 H\n0.535232 0.830004 0.259535 H\n0.964768 0.330004 0.740465 H\n0.442292 0.909274 0.826987 H\n0.057708 0.409274 0.173013 H\n0.557708 0.090726 0.173013 H\n0.942292 0.590726 0.826987 H\n0.634775 0.959961 0.680201 H\n0.865225 0.459961 0.319799 H\n0.365225 0.040039 0.319799 H\n0.134775 0.540039 0.680201 H\n0.152501 0.972443 0.653674 H\n0.347499 0.472443 0.346326 H\n0.847499 0.027557 0.346326 H\n0.652501 0.527557 0.653674 H\n0.473009 0.995995 0.721246 N\n0.026991 0.495995 0.278754 N\n0.526991 0.004005 0.278754 N\n0.973009 0.504005 0.721246 N\n0.303238 0.929148 0.602405 O\n0.196762 0.429148 0.397595 O\n0.696762 0.070852 0.397595 O\n0.803238 0.570852 0.602405 O\n0.217620 0.282214 0.032412 F\n0.282380 0.782214 0.967588 F\n0.782380 0.717786 0.967588 F\n0.717620 0.217786 0.032412 F\n0.965834 0.057196 0.759355 F\n0.534166 0.557196 0.240645 F\n0.034166 0.942804 0.240645 F\n0.465834 0.442804 0.759355 F\n","nsites":34,"nelements":5,"elements":["Zn","H","N","O","F"],"chemical_system":"F-H-N-O-Zn","density":2.40381852878143,"density_atomic":0.11747958225870933,"volume":289.41199267398156,"volume_molar":5.126116933867077,"formula_full":"Zn2 H16 N4 O4 F8","formula_reduced":"ZnH8N2(OF2)2","formula_anonymous":"AB2C2D4E8","energy":-168.65714956,"energy_per_atom":-4.960504398823529,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.76914956,"band_gap":4.7084,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003462,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.249000Z","spacegroup":14},{"id":"mp-769555","created_at":"2022-09-04T14:40:18.639648Z","structure_string":"Li10 Co3 Ni7 O20\n1.0\n2.815074 0.000000 0.000000\n-1.405467 11.413821 0.000000\n-0.021033 -4.466639 10.596673\nLi Co Ni O\n10 3 7 20\ndirect\n0.302176 0.598805 0.349962 Li\n0.301062 0.603535 0.853058 Li\n0.101279 0.203298 0.953109 Li\n0.104767 0.198199 0.445430 Li\n0.494917 0.997479 0.745006 Li\n0.505083 0.002521 0.254994 Li\n0.697824 0.401195 0.650038 Li\n0.698938 0.396465 0.146942 Li\n0.898721 0.796702 0.046891 Li\n0.895233 0.801801 0.554570 Li\n0.103358 0.198970 0.198810 Co\n0.500000 0.000000 0.500000 Co\n0.896642 0.801030 0.801190 Co\n0.095391 0.193756 0.698786 Ni\n0.301836 0.601028 0.102223 Ni\n0.302781 0.605444 0.600064 Ni\n0.697219 0.394556 0.399936 Ni\n0.500000 0.000000 0.000000 Ni\n0.698164 0.398972 0.897777 Ni\n0.904609 0.806244 0.301214 Ni\n0.195659 0.404090 0.517993 O\n0.020171 0.017850 0.120994 O\n0.395859 0.802059 0.915593 O\n0.200922 0.381217 0.278506 O\n0.198879 0.399950 0.785277 O\n0.999296 0.003364 0.388396 O\n0.000704 0.996636 0.611604 O\n0.407721 0.818335 0.418283 O\n0.201461 0.400433 0.010047 O\n0.979829 0.982150 0.879006 O\n0.599274 0.199423 0.812775 O\n0.799078 0.618783 0.721494 O\n0.606960 0.200206 0.312324 O\n0.592279 0.181665 0.581717 O\n0.400726 0.800577 0.187225 O\n0.804341 0.595910 0.482007 O\n0.798539 0.599567 0.989953 O\n0.801121 0.600050 0.214723 O\n0.393040 0.799794 0.687676 O\n0.604141 0.197941 0.084407 O\n","nsites":40,"nelements":4,"elements":["Li","Co","Ni","O"],"chemical_system":"Co-Li-Ni-O","density":4.765144736145607,"density_atomic":0.11748152776123955,"volume":340.47905881248784,"volume_molar":5.1260320450028,"formula_full":"Li10 Co3 Ni7 O20","formula_reduced":"Li10Co3Ni7O20","formula_anonymous":"A3B7C10D20","energy":-242.82356769,"energy_per_atom":-6.07058919225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-206.38256769000003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9768893,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.784000Z","spacegroup":2},{"id":"mp-1138","created_at":"2022-09-04T14:44:12.639846Z","structure_string":"Li1 F1\n1.0\n0.000000 2.041714 2.041714\n2.041714 0.000000 2.041714\n2.041714 2.041714 0.000000\nLi F\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 F\n","nsites":2,"nelements":2,"elements":["Li","F"],"chemical_system":"F-Li","density":2.530430195901122,"density_atomic":0.11749388920664966,"volume":17.0221618630938,"volume_molar":5.125492738952736,"formula_full":"Li1 F1","formula_reduced":"LiF","formula_anonymous":"AB","energy":-10.15229103,"energy_per_atom":-5.076145515,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.69029103,"band_gap":8.6525,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003778,"is_theoretical":false,"updated_at":"2021-11-28T01:36:37.259000Z","spacegroup":225},{"id":"mp-983590","created_at":"2022-09-04T14:41:16.381653Z","structure_string":"Be3 Fe1\n1.0\n3.240938 0.000000 0.000000\n0.000000 3.240938 0.000000\n0.000000 0.000000 3.240938\nBe Fe\n3 1\ndirect\n0.000000 0.500000 0.500000 Be\n0.500000 0.000000 0.500000 Be\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Fe\n","nsites":4,"nelements":2,"elements":["Be","Fe"],"chemical_system":"Be-Fe","density":4.042916502750371,"density_atomic":0.11750269363413404,"volume":34.04177279930897,"volume_molar":5.125108687934447,"formula_full":"Be3 Fe1","formula_reduced":"Be3Fe","formula_anonymous":"AB3","energy":-20.52420885,"energy_per_atom":-5.1310522125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.52420885,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5706236,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.570000Z","spacegroup":221},{"id":"mp-1202088","created_at":"2022-09-04T14:40:55.653315Z","structure_string":"Mg4 B8 H32\n1.0\n-4.189958 4.189958 5.332222\n4.189958 -4.189958 5.332222\n4.189958 4.189958 -5.332222\nMg B H\n4 8 32\ndirect\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.644124 0.409561 0.765437 B\n0.159561 0.894124 0.265437 B\n0.628687 0.894124 0.734563 B\n0.644124 0.878687 0.234563 B\n0.105876 0.840439 0.734563 B\n0.590439 0.355876 0.234563 B\n0.121313 0.355876 0.765437 B\n0.105876 0.371313 0.265437 B\n0.737752 0.450537 0.958167 H\n0.492371 0.450537 0.712785 H\n0.200537 0.987752 0.458167 H\n0.529586 0.987753 0.787215 H\n0.737752 0.779586 0.287215 H\n0.492371 0.779586 0.041833 H\n0.200537 0.742371 0.212785 H\n0.529586 0.742371 0.541833 H\n0.012247 0.799463 0.541833 H\n0.257629 0.799463 0.787215 H\n0.549463 0.262247 0.041833 H\n0.220414 0.262247 0.712785 H\n0.012247 0.470414 0.212785 H\n0.257629 0.470414 0.458167 H\n0.549463 0.507629 0.287215 H\n0.220414 0.507629 0.958167 H\n0.588199 0.950915 0.362716 H\n0.700915 0.838199 0.862716 H\n0.975484 0.838199 0.137284 H\n0.588199 0.225484 0.637284 H\n0.161801 0.299085 0.137284 H\n0.049085 0.411801 0.637284 H\n0.774516 0.411801 0.362716 H\n0.161801 0.024516 0.862716 H\n0.758486 0.511456 0.752970 H\n0.261456 0.008486 0.252970 H\n0.755516 0.008486 0.747030 H\n0.758486 0.005516 0.247030 H\n0.991514 0.738544 0.747030 H\n0.488544 0.241514 0.247030 H\n0.994484 0.241514 0.752970 H\n0.991514 0.244484 0.252970 H\n","nsites":44,"nelements":3,"elements":["Mg","B","H"],"chemical_system":"B-H-Mg","density":0.9577210789465078,"density_atomic":0.11750737468449804,"volume":374.44458373900363,"volume_molar":5.124904522945198,"formula_full":"Mg4 B8 H32","formula_reduced":"Mg(BH4)2","formula_anonymous":"AB2C8","energy":-182.78470384,"energy_per_atom":-4.154197814545454,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.05670384,"band_gap":5.8926,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0006896,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.100000Z","spacegroup":141},{"id":"mp-625374","created_at":"2022-09-04T14:45:35.828238Z","structure_string":"H18 N6 O3\n1.0\n2.485440 -4.304908 0.000000\n2.485440 4.304908 0.000000\n0.000000 0.000000 10.737428\nH N O\n18 6 3\ndirect\n0.804891 0.721528 0.747053 H\n0.083363 0.278472 0.919614 H\n0.406484 0.611254 0.933073 H\n0.440990 0.907889 0.766638 H\n0.533101 0.092111 0.900029 H\n0.795230 0.388746 0.733594 H\n0.466899 0.559010 0.433305 H\n0.916637 0.195109 0.413719 H\n0.593516 0.204770 0.400260 H\n0.195109 0.916637 0.586281 H\n0.204770 0.593516 0.599740 H\n0.559010 0.466899 0.566695 H\n0.721528 0.804891 0.252947 H\n0.907889 0.440990 0.233362 H\n0.278472 0.083363 0.080386 H\n0.611254 0.406484 0.066927 H\n0.388746 0.795230 0.266406 H\n0.092111 0.533101 0.099971 H\n0.748906 0.165457 0.350603 N\n0.416552 0.251094 0.017270 N\n0.834543 0.583448 0.683937 N\n0.251094 0.416552 0.982730 N\n0.165457 0.748906 0.649397 N\n0.583448 0.834543 0.316063 N\n0.610099 0.000000 0.833333 O\n0.389901 0.389901 0.500000 O\n0.000000 0.610099 0.166667 O\n","nsites":27,"nelements":3,"elements":["H","N","O"],"chemical_system":"H-N-O","density":1.0853444660929064,"density_atomic":0.1175077053885571,"volume":229.77216609515432,"volume_molar":5.124890099833774,"formula_full":"H18 N6 O3","formula_reduced":"H6N2O","formula_anonymous":"AB2C6","energy":-141.24332674,"energy_per_atom":-5.231234323703704,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.01632674,"band_gap":3.8792,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011178,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.807000Z","spacegroup":152},{"id":"mp-23702","created_at":"2022-09-04T14:40:22.111109Z","structure_string":"Li4 H8 N4\n1.0\n-2.542740 2.542740 5.264377\n2.542740 -2.542740 5.264377\n2.542740 2.542740 -5.264377\nLi H N\n4 8 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.750000 0.500000 Li\n0.492110 0.992110 0.500000 Li\n0.007890 0.507890 0.500000 Li\n0.694077 0.584081 0.657194 H\n0.926887 0.036883 0.342806 H\n0.963117 0.305923 0.890004 H\n0.415919 0.073113 0.109996 H\n0.541947 0.469279 0.257938 H\n0.211341 0.284009 0.742062 H\n0.715991 0.458053 0.927332 H\n0.530721 0.788659 0.072668 H\n0.639706 0.658433 0.526545 N\n0.131888 0.113161 0.473455 N\n0.886839 0.360294 0.018728 N\n0.341567 0.868112 0.981272 N\n","nsites":16,"nelements":3,"elements":["Li","H","N"],"chemical_system":"H-Li-N","density":1.1203089345351749,"density_atomic":0.11751927357647107,"volume":136.14788036950063,"volume_molar":5.124385623504835,"formula_full":"Li4 H8 N4","formula_reduced":"LiH2N","formula_anonymous":"ABC2","energy":-77.59870504,"energy_per_atom":-4.849919065,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.15470504,"band_gap":3.1358,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003324,"is_theoretical":false,"updated_at":"2021-11-28T01:34:47.969000Z","spacegroup":82},{"id":"mp-12666","created_at":"2022-09-04T14:39:47.274194Z","structure_string":"Be12 Pd1\n1.0\n-3.636577 3.636577 2.091104\n3.636577 -3.636577 2.091104\n3.636577 3.636577 -2.091104\nBe Pd\n12 1\ndirect\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.500000 0.500000 Be\n0.651763 0.000000 0.651763 Be\n0.000000 0.651763 0.651763 Be\n0.000000 0.348237 0.348237 Be\n0.348237 0.000000 0.348237 Be\n0.725524 0.500000 0.225524 Be\n0.500000 0.725524 0.225524 Be\n0.500000 0.274476 0.774476 Be\n0.274476 0.500000 0.774476 Be\n0.000000 0.000000 0.000000 Pd\n","nsites":13,"nelements":2,"elements":["Be","Pd"],"chemical_system":"Be-Pd","density":3.2209885095075323,"density_atomic":0.1175228061868794,"volume":110.61682767622136,"volume_molar":5.124231589929759,"formula_full":"Be12 Pd1","formula_reduced":"Be12Pd","formula_anonymous":"AB12","energy":-50.91201729,"energy_per_atom":-3.9163090223076926,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.91201729,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002701,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.883000Z","spacegroup":139},{"id":"mp-1287495","created_at":"2022-09-04T14:43:17.412943Z","structure_string":"Li4 Ni4 O8\n1.0\n-1.615675 5.499288 -0.013428\n-4.960782 -1.519500 2.453924\n3.368095 4.017175 2.506926\nLi Ni O\n4 4 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500001 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000002 0.500000 0.500000 Ni\n0.753916 0.721453 0.499938 O\n0.246083 0.278547 0.500062 O\n0.228402 0.741754 0.499474 O\n0.771597 0.258246 0.500526 O\n0.731855 0.268071 0.036918 O\n0.229983 0.269566 0.039651 O\n0.268145 0.731929 0.963082 O\n0.770016 0.730434 0.960349 O\n","nsites":16,"nelements":3,"elements":["Li","Ni","O"],"chemical_system":"Li-Ni-O","density":4.76402804480569,"density_atomic":0.11754053940799639,"volume":136.12324803497972,"volume_molar":5.1234585023440085,"formula_full":"Li4 Ni4 O8","formula_reduced":"LiNiO2","formula_anonymous":"ABC2","energy":-93.75308201,"energy_per_atom":-5.859567625625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.09308201,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0322976,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.972000Z","spacegroup":12}]}