{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume&page=10183","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume&page=10181","results":[{"id":"mp-1522047","created_at":"2022-09-04T14:48:28.123803Z","structure_string":"Na1 Pr1 Dy1 Fe1 O6\n1.0\n0.000000 -4.019411 -4.019411\n4.019411 0.000000 -4.019411\n4.019411 -4.019411 0.000000\nNa Pr Dy Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Pr\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Fe\n0.730998 0.269002 0.269002 O\n0.269002 0.730998 0.730998 O\n0.730998 0.269002 0.730998 O\n0.269002 0.730998 0.269002 O\n0.730998 0.730998 0.269002 O\n0.269002 0.269002 0.730998 O\n","nsites":10,"nelements":5,"elements":["Na","Pr","Dy","Fe","O"],"chemical_system":"Dy-Fe-Na-O-Pr","density":6.114721437921255,"density_atomic":0.07699858676365057,"volume":129.87251351372583,"volume_molar":7.821105572346592,"formula_full":"Na1 Pr1 Dy1 Fe1 O6","formula_reduced":"NaPrDyFeO6","formula_anonymous":"ABCDE6","energy":-73.51244993,"energy_per_atom":-7.351244993,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.13444993,"band_gap":0.3403999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0000009,"is_theoretical":true,"updated_at":"2021-11-28T01:39:16.020000Z","spacegroup":216},{"id":"mp-1183061","created_at":"2022-09-04T14:46:18.778777Z","structure_string":"Ac2 Zn1 Sn1\n1.0\n0.000000 4.019338 4.019338\n4.019338 0.000000 4.019338\n4.019338 4.019338 0.000000\nAc Zn Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Sn\n","nsites":4,"nelements":3,"elements":["Ac","Zn","Sn"],"chemical_system":"Ac-Sn-Zn","density":8.159380581591696,"density_atomic":0.030801112891944316,"volume":129.86543746106508,"volume_molar":19.551698606237775,"formula_full":"Ac2 Zn1 Sn1","formula_reduced":"Ac2ZnSn","formula_anonymous":"ABC2","energy":-15.25633158,"energy_per_atom":-3.814082895,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.25633158,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009878,"is_theoretical":true,"updated_at":"2021-11-28T01:37:23.288000Z","spacegroup":225},{"id":"mp-1219972","created_at":"2022-09-04T14:39:21.285955Z","structure_string":"Pr2 Ga2 Si2\n1.0\n-2.125729 2.125729 7.184428\n2.125729 -2.125729 7.184428\n2.125729 2.125729 -7.184428\nPr Ga Si\n2 2 2\ndirect\n0.625037 0.125037 0.500000 Pr\n0.875037 0.875037 0.000000 Pr\n0.458502 0.458502 0.000000 Ga\n0.208502 0.708502 0.500000 Ga\n0.041461 0.541461 0.500000 Si\n0.291461 0.291461 0.000000 Si\n","nsites":6,"nelements":3,"elements":["Pr","Ga","Si"],"chemical_system":"Ga-Pr-Si","density":6.105101825225678,"density_atomic":0.04620439282178532,"volume":129.85778263860243,"volume_molar":13.033697430519133,"formula_full":"Pr2 Ga2 Si2","formula_reduced":"PrGaSi","formula_anonymous":"ABC","energy":-30.50820974,"energy_per_atom":-5.084701623333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.65020974,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013223,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.061000Z","spacegroup":109},{"id":"mp-510294","created_at":"2022-09-04T14:39:10.337758Z","structure_string":"Sr2 Cu1 W1 O6\n1.0\n-2.727943 2.727943 4.362519\n2.727943 -2.727943 4.362519\n2.727943 2.727943 -4.362519\nSr Cu W O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 W\n0.300544 0.193435 0.493978 O\n0.699456 0.806565 0.506022 O\n0.193435 0.699456 0.892891 O\n0.806565 0.300544 0.107109 O\n0.224842 0.224842 0.000000 O\n0.775158 0.775158 0.000000 O\n","nsites":10,"nelements":4,"elements":["Sr","Cu","W","O"],"chemical_system":"Cu-O-Sr-W","density":6.631815908247769,"density_atomic":0.07700733502385732,"volume":129.85775961344387,"volume_molar":7.820217071704022,"formula_full":"Sr2 Cu1 W1 O6","formula_reduced":"Sr2CuWO6","formula_anonymous":"ABC2D6","energy":-74.85927465,"energy_per_atom":-7.4859274650000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.29927465,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9996967,"is_theoretical":false,"updated_at":"2021-11-28T01:34:40.360000Z","spacegroup":87},{"id":"mp-1517146","created_at":"2022-09-04T14:48:17.845177Z","structure_string":"Na1 Nd1 Zr1 Ti1 O6\n1.0\n-0.000000 -4.019256 -4.019256\n4.019256 -0.000000 -4.019256\n4.019256 -4.019256 -0.000000\nNa Nd Zr Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Zr\n0.000000 -0.000000 0.000000 Ti\n0.758235 0.241765 0.241765 O\n0.241765 0.758235 0.758235 O\n0.758235 0.241765 0.758235 O\n0.241765 0.758235 0.241765 O\n0.758235 0.758235 0.241765 O\n0.241765 0.241765 0.758235 O\n","nsites":10,"nelements":5,"elements":["Na","Nd","Zr","Ti","O"],"chemical_system":"Na-Nd-O-Ti-Zr","density":5.144614309923973,"density_atomic":0.0770074953088226,"volume":129.8574893248647,"volume_molar":7.8202007945453245,"formula_full":"Na1 Nd1 Zr1 Ti1 O6","formula_reduced":"NaNdZrTiO6","formula_anonymous":"ABCDE6","energy":-85.5972142,"energy_per_atom":-8.559721419999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.47521420000001,"band_gap":2.1492000000000004,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:50.637000Z","spacegroup":216},{"id":"mp-1516600","created_at":"2022-09-04T14:40:40.248555Z","structure_string":"K1 Nd1 Hf1 Ti1 O6\n1.0\n0.000000 -4.019254 -4.019254\n4.019254 0.000000 -4.019254\n4.019254 -4.019254 0.000000\nK Nd Hf Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.743901 0.256099 0.256099 O\n0.256099 0.743901 0.743901 O\n0.743901 0.256099 0.743901 O\n0.256099 0.743901 0.256099 O\n0.743901 0.743901 0.256099 O\n0.256099 0.256099 0.743901 O\n","nsites":10,"nelements":5,"elements":["K","Nd","Hf","Ti","O"],"chemical_system":"Hf-K-Nd-O-Ti","density":6.4665149657685514,"density_atomic":0.07700761026677298,"volume":129.8572954719356,"volume_molar":7.820189120449069,"formula_full":"K1 Nd1 Hf1 Ti1 O6","formula_reduced":"KNdHfTiO6","formula_anonymous":"ABCDE6","energy":-87.80455746,"energy_per_atom":-8.780455746,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.68255746,"band_gap":2.2033,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.897000Z","spacegroup":216},{"id":"mp-1224468","created_at":"2022-09-04T14:40:30.659526Z","structure_string":"Hf4 U1 C5\n1.0\n13.703590 -1.655937 0.000000\n13.703590 1.655937 0.000000\n13.503487 0.000000 2.861178\nHf U C\n4 1 5\ndirect\n0.596153 0.596153 0.596153 Hf\n0.198709 0.198709 0.198709 Hf\n0.801291 0.801291 0.801291 Hf\n0.403847 0.403847 0.403847 Hf\n0.000000 0.000000 0.000000 U\n0.702697 0.702697 0.702697 C\n0.500000 0.500000 0.500000 C\n0.101517 0.101517 0.101517 C\n0.297303 0.297303 0.297303 C\n0.898483 0.898483 0.898483 C\n","nsites":10,"nelements":3,"elements":["Hf","U","C"],"chemical_system":"C-Hf-U","density":12.941802574562393,"density_atomic":0.07700997117213558,"volume":129.8533144188254,"volume_molar":7.819949375827041,"formula_full":"Hf4 U1 C5","formula_reduced":"Hf4UC5","formula_anonymous":"AB4C5","energy":-104.95167575,"energy_per_atom":-10.495167575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-104.95167575,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031565,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.138000Z","spacegroup":166},{"id":"mp-1226506","created_at":"2022-09-04T14:47:21.385514Z","structure_string":"Ce1 Th2 O6\n1.0\n1.972115 -3.415803 0.000000\n1.972115 3.415803 0.000000\n0.000000 0.000000 9.638047\nCe Th O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.669732 Th\n0.666667 0.333333 0.330268 Th\n0.000000 0.000000 0.245515 O\n0.333333 0.666667 0.920645 O\n0.666667 0.333333 0.583954 O\n0.666667 0.333333 0.079355 O\n0.000000 0.000000 0.754485 O\n0.333333 0.666667 0.416046 O\n","nsites":9,"nelements":3,"elements":["Ce","Th","O"],"chemical_system":"Ce-O-Th","density":8.954059912656845,"density_atomic":0.06931040267200411,"volume":129.85063789905357,"volume_molar":8.688653546709904,"formula_full":"Ce1 Th2 O6","formula_reduced":"CeTh2O6","formula_anonymous":"AB2C6","energy":-88.39068258,"energy_per_atom":-9.821186953333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.26868257999999,"band_gap":2.0368000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034453,"is_theoretical":true,"updated_at":"2021-11-28T01:38:00.157000Z","spacegroup":164},{"id":"mp-1518655","created_at":"2022-09-04T14:45:29.655022Z","structure_string":"Sr1 Eu1 Cr1 In1 O6\n1.0\n-0.000000 -4.019139 -4.019139\n4.019139 0.000000 -4.019139\n4.019139 -4.019139 -0.000000\nSr Eu Cr In O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 In\n0.762378 0.237622 0.237622 O\n0.237622 0.762378 0.762378 O\n0.762378 0.237622 0.762378 O\n0.237622 0.762378 0.237622 O\n0.762378 0.762378 0.237622 O\n0.237622 0.237622 0.762378 O\n","nsites":10,"nelements":5,"elements":["Sr","Eu","Cr","In","O"],"chemical_system":"Cr-Eu-In-O-Sr","density":6.424878203123063,"density_atomic":0.0770142207337738,"volume":129.84614925298598,"volume_molar":7.819517879454504,"formula_full":"Sr1 Eu1 Cr1 In1 O6","formula_reduced":"SrEuCrInO6","formula_anonymous":"ABCDE6","energy":-78.35616112,"energy_per_atom":-7.835616111999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.23516112,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000003,"is_theoretical":true,"updated_at":"2021-11-28T01:37:02.691000Z","spacegroup":216},{"id":"mp-1094612","created_at":"2022-09-04T14:47:58.629032Z","structure_string":"Mg5 Ga1\n1.0\n1.555165 5.938178 0.000000\n-1.555165 5.938178 0.000000\n0.000000 1.682214 7.030164\nMg Ga\n5 1\ndirect\n0.001899 0.001899 0.004078 Mg\n0.331171 0.331171 0.331631 Mg\n0.946937 0.946937 0.605700 Mg\n0.667204 0.667204 0.663955 Mg\n0.276006 0.276006 0.948461 Mg\n0.610115 0.610115 0.279508 Ga\n","nsites":6,"nelements":2,"elements":["Mg","Ga"],"chemical_system":"Ga-Mg","density":2.445799558743709,"density_atomic":0.046208951367618545,"volume":129.8449720762235,"volume_molar":13.032411647021458,"formula_full":"Mg5 Ga1","formula_reduced":"Mg5Ga","formula_anonymous":"AB5","energy":-11.20669093,"energy_per_atom":-1.8677818216666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.20669093,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0049352,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.385000Z","spacegroup":8},{"id":"mp-866108","created_at":"2022-09-04T14:40:17.896460Z","structure_string":"Hf2 Zn6\n1.0\n2.922429 -5.061795 0.000000\n2.922429 5.061795 0.000000\n0.000000 0.000000 4.388718\nHf Zn\n2 6\ndirect\n0.333333 0.666667 0.750000 Hf\n0.666667 0.333333 0.250000 Hf\n0.159763 0.319525 0.250000 Zn\n0.680475 0.840237 0.250000 Zn\n0.159763 0.840237 0.250000 Zn\n0.840237 0.680475 0.750000 Zn\n0.319525 0.159763 0.750000 Zn\n0.840237 0.159763 0.750000 Zn\n","nsites":8,"nelements":2,"elements":["Hf","Zn"],"chemical_system":"Hf-Zn","density":9.584430151207942,"density_atomic":0.061613204092591134,"volume":129.84229789409676,"volume_molar":9.774107431501278,"formula_full":"Hf2 Zn6","formula_reduced":"HfZn3","formula_anonymous":"AB3","energy":-29.1060353,"energy_per_atom":-3.6382544125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.1060353,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001126,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.113000Z","spacegroup":194},{"id":"mp-1215854","created_at":"2022-09-04T14:42:54.965405Z","structure_string":"Yb2 Ge3 Pd1\n1.0\n0.000000 0.000000 -4.042021\n-2.176317 -3.749394 0.000000\n-6.425577 3.689891 0.000000\nYb Ge Pd\n2 3 1\ndirect\n0.000000 0.000362 0.007676 Yb\n0.000000 0.499700 0.493417 Yb\n0.500000 0.502081 0.835368 Ge\n0.500000 0.499762 0.167891 Ge\n0.500000 0.997728 0.665169 Ge\n0.500000 0.000167 0.330480 Pd\n","nsites":6,"nelements":3,"elements":["Yb","Ge","Pd"],"chemical_system":"Ge-Pd-Yb","density":8.5741210600035,"density_atomic":0.046210939949105294,"volume":129.83938449657455,"volume_molar":13.031850827168896,"formula_full":"Yb2 Ge3 Pd1","formula_reduced":"Yb2Ge3Pd","formula_anonymous":"AB2C3","energy":-26.32005811,"energy_per_atom":-4.386676351666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.32005811,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000364,"is_theoretical":true,"updated_at":"2021-11-28T01:35:54.719000Z","spacegroup":25}]}