{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=620","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=618","results":[{"id":"jvasp-8104","created_at":"2022-09-04T14:37:04.552635Z","updated_at":"2022-09-04T14:37:04.552663Z","structure_string":"Ca1 Si1 O3\n1.0\n3.599962 -0.000000 -0.000000\n0.000000 3.599962 0.000000\n0.000000 0.000000 3.599962\nCa Si O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Ca","Si","O"],"chemical_system":"Ca-O-Si","density":4.134455359180333,"density_atomic":0.10717074624219787,"volume":46.65452257559515,"volume_molar":5.619202040816636,"formula_full":"Ca1 Si1 O3","formula_reduced":"CaSiO3","formula_anonymous":"ABC3","energy_above_hull":1.507143904,"spacegroup":221},{"id":"jvasp-55518","created_at":"2022-09-04T14:36:57.087046Z","updated_at":"2022-09-04T14:36:57.087065Z","structure_string":"Na4 Sb4 O12\n1.0\n6.345940 -0.000000 3.663830\n2.115314 5.983010 3.663830\n0.000000 0.000000 7.327662\nNa Sb O\n4 4 12\ndirect\n-0.000000 0.500000 0.000000 Na\n0.500000 0.000000 -0.000000 Na\n-0.000000 -0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.500000 -0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.578092 0.171907 0.171907 O\n0.171907 0.171907 0.578092 O\n0.421907 0.828093 0.828093 O\n0.578092 0.171907 0.578092 O\n0.171907 0.578093 0.171908 O\n0.421907 0.828093 0.421908 O\n0.421907 0.421907 0.828092 O\n0.828092 0.828093 0.421908 O\n0.828092 0.421907 0.828092 O\n0.171907 0.578093 0.578093 O\n0.828092 0.421907 0.421907 O\n0.578092 0.578093 0.171908 O\n","nsites":20,"nelements":3,"elements":["Na","Sb","O"],"chemical_system":"Na-O-Sb","density":4.601694478510696,"density_atomic":0.07188675449396387,"volume":278.21537000504514,"volume_molar":8.377260598829318,"formula_full":"Na4 Sb4 O12","formula_reduced":"NaSbO3","formula_anonymous":"ABC3","energy_above_hull":1.3936091199999998,"spacegroup":227},{"id":"jvasp-50978","created_at":"2022-09-04T14:37:04.559968Z","updated_at":"2022-09-04T14:37:04.559995Z","structure_string":"Sc4 Ga4 O12\n1.0\n5.051212 0.000000 0.000000\n-0.000000 5.377084 0.000000\n0.000000 0.000000 7.568547\nSc Ga O\n4 4 12\ndirect\n0.025862 0.929424 0.750000 Sc\n0.474138 0.429424 0.750000 Sc\n0.525862 0.570575 0.250000 Sc\n0.974137 0.070576 0.250000 Sc\n0.000000 0.500000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.813234 0.809284 0.072358 O\n0.686766 0.309285 0.427642 O\n0.686766 0.309285 0.072358 O\n0.642111 0.061715 0.750000 O\n0.357889 0.938284 0.250000 O\n0.186766 0.190715 0.572358 O\n0.313234 0.690715 0.572358 O\n0.186766 0.190715 0.927643 O\n0.813234 0.809284 0.427642 O\n0.142111 0.438284 0.250000 O\n0.313234 0.690715 0.927643 O\n0.857889 0.561715 0.750000 O\n","nsites":20,"nelements":3,"elements":["Sc","Ga","O"],"chemical_system":"Ga-O-Sc","density":5.256305673154507,"density_atomic":0.09729153739913336,"volume":205.56772494971543,"volume_molar":6.189788876800752,"formula_full":"Sc4 Ga4 O12","formula_reduced":"ScGaO3","formula_anonymous":"ABC3","energy_above_hull":1.4299756150000005,"spacegroup":62},{"id":"jvasp-7644","created_at":"2022-09-04T14:37:02.863192Z","updated_at":"2022-09-04T14:37:02.863210Z","structure_string":"K1 Cd1 F3\n1.0\n4.421621 0.000000 -0.000000\n-0.000000 4.421621 -0.000000\n0.000000 0.000000 4.421621\nK Cd F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n","nsites":5,"nelements":3,"elements":["K","Cd","F"],"chemical_system":"Cd-F-K","density":4.005161264638174,"density_atomic":0.057839624084768296,"volume":86.44592835997906,"volume_molar":10.4117909742534,"formula_full":"K1 Cd1 F3","formula_reduced":"KCdF3","formula_anonymous":"ABC3","energy_above_hull":0.007052,"spacegroup":221},{"id":"jvasp-8636","created_at":"2022-09-04T14:37:05.726680Z","updated_at":"2022-09-04T14:37:05.726708Z","structure_string":"Sm1 V1 O3\n1.0\n3.852683 -0.000000 -0.000000\n0.000000 3.852683 0.000000\n-0.000000 -0.000000 3.852683\nSm V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Sm","V","O"],"chemical_system":"O-Sm-V","density":7.239040786793223,"density_atomic":0.08743396522441717,"volume":57.18601446436149,"volume_molar":6.887644572155618,"formula_full":"Sm1 V1 O3","formula_reduced":"SmVO3","formula_anonymous":"ABC3","energy_above_hull":2.198584715,"spacegroup":221},{"id":"jvasp-12277","created_at":"2022-09-04T14:37:04.612964Z","updated_at":"2022-09-04T14:37:04.612989Z","structure_string":"U2 Mn2 Se6\n1.0\n3.907667 0.000000 0.000000\n-1.953834 5.541062 -0.000000\n0.000000 -0.000000 9.158653\nU Mn Se\n2 2 6\ndirect\n0.222101 0.444200 0.250000 U\n0.777901 0.555799 0.750000 U\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.078003 0.156005 0.750000 Se\n0.921999 0.843995 0.250000 Se\n0.364303 0.728606 0.960390 Se\n0.635698 0.271394 0.039610 Se\n0.635698 0.271394 0.460390 Se\n0.364303 0.728606 0.539610 Se\n","nsites":10,"nelements":3,"elements":["U","Mn","Se"],"chemical_system":"Mn-Se-U","density":8.873345136561694,"density_atomic":0.05042638533508461,"volume":198.30888003472282,"volume_molar":11.942439895270546,"formula_full":"U2 Mn2 Se6","formula_reduced":"UMnSe3","formula_anonymous":"ABC3","energy_above_hull":2.918658668275862,"spacegroup":63},{"id":"jvasp-102844","created_at":"2022-09-04T14:36:56.026734Z","updated_at":"2022-09-04T14:36:56.026744Z","structure_string":"Zr2 Mn2 O6\n1.0\n4.806304 0.000101 2.572317\n3.091471 4.490065 -0.000040\n0.028454 -0.019525 5.723271\nZr Mn O\n2 2 6\ndirect\n0.710279 0.144862 0.434580 Zr\n0.289718 0.855137 0.565425 Zr\n0.724316 0.637844 0.913534 Mn\n0.275685 0.362153 0.086465 Mn\n0.505383 0.446924 0.257969 O\n0.789725 0.763355 0.257969 O\n0.188959 0.047682 0.257960 O\n0.811042 0.952315 0.742040 O\n0.210274 0.236642 0.742031 O\n0.494616 0.553074 0.742031 O\n","nsites":10,"nelements":3,"elements":["Zr","Mn","O"],"chemical_system":"Mn-O-Zr","density":5.241341036655505,"density_atomic":0.08128361577008632,"volume":123.02602320602182,"volume_molar":7.408800288896898,"formula_full":"Zr2 Mn2 O6","formula_reduced":"ZrMnO3","formula_anonymous":"ABC3","energy_above_hull":2.8155304482758616,"spacegroup":148},{"id":"jvasp-50216","created_at":"2022-09-04T14:36:57.378421Z","updated_at":"2022-09-04T14:36:57.378436Z","structure_string":"Dy4 Ga4 O12\n1.0\n5.284080 0.000000 0.000000\n0.000000 5.593996 0.000000\n0.000000 0.000000 7.598511\nDy Ga O\n4 4 12\ndirect\n0.019211 0.069462 0.990925 Dy\n0.480789 0.569463 0.990925 Dy\n0.519211 0.430538 0.490925 Dy\n0.980789 0.930538 0.490925 Dy\n0.000000 0.499998 0.240926 Ga\n0.500000 -0.000003 0.240926 Ga\n0.500000 0.000003 0.740926 Ga\n-0.000000 0.500003 0.740926 Ga\n0.806680 0.195579 0.296826 O\n0.693320 0.695580 0.296826 O\n0.693318 0.695580 0.685026 O\n0.609829 0.963332 0.990926 O\n0.390171 0.036668 0.490926 O\n0.193318 0.804421 0.185026 O\n0.306680 0.304421 0.796826 O\n0.193320 0.804422 0.796826 O\n0.806682 0.195580 0.685026 O\n0.109829 0.536669 0.490926 O\n0.306682 0.304420 0.185026 O\n0.890171 0.463332 0.990926 O\n","nsites":20,"nelements":3,"elements":["Dy","Ga","O"],"chemical_system":"Dy-Ga-O","density":8.286860827145576,"density_atomic":0.08904508719691204,"volume":224.6053165827387,"volume_molar":6.763024159528073,"formula_full":"Dy4 Ga4 O12","formula_reduced":"DyGaO3","formula_anonymous":"ABC3","energy_above_hull":1.156613865,"spacegroup":62},{"id":"jvasp-7760","created_at":"2022-09-04T14:37:03.350792Z","updated_at":"2022-09-04T14:37:03.350808Z","structure_string":"Ba1 Ti1 O3\n1.0\n4.004352 0.000000 0.000000\n0.000000 4.004352 -0.000000\n0.000000 -0.000000 4.129682\nBa Ti O\n1 1 3\ndirect\n0.500000 0.500000 0.583397 Ba\n0.000000 0.000000 0.101259 Ti\n0.000000 0.500000 0.063455 O\n0.500000 0.000000 0.063455 O\n0.000000 0.000000 0.548433 O\n","nsites":5,"nelements":3,"elements":["Ba","Ti","O"],"chemical_system":"Ba-O-Ti","density":5.847658642141382,"density_atomic":0.07550729285022305,"volume":66.21876922429261,"volume_molar":7.975574984452923,"formula_full":"Ba1 Ti1 O3","formula_reduced":"BaTiO3","formula_anonymous":"ABC3","energy_above_hull":1.6327469606666667,"spacegroup":99},{"id":"jvasp-7886","created_at":"2022-09-04T14:37:03.237698Z","updated_at":"2022-09-04T14:37:03.237724Z","structure_string":"Sm1 Cr1 O3\n1.0\n3.836364 0.000000 -0.000000\n-0.000000 3.836364 0.000000\n0.000000 -0.000000 3.836364\nSm Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.499999 0.499999 0.499999 Cr\n0.000000 0.499999 0.499999 O\n0.499999 0.000000 0.499999 O\n0.499999 0.499999 0.000000 O\n","nsites":5,"nelements":3,"elements":["Sm","Cr","O"],"chemical_system":"Cr-O-Sm","density":7.362829295774839,"density_atomic":0.08855448943024087,"volume":56.462411247244205,"volume_molar":6.800491763598236,"formula_full":"Sm1 Cr1 O3","formula_reduced":"SmCrO3","formula_anonymous":"ABC3","energy_above_hull":2.322315355,"spacegroup":221},{"id":"jvasp-103610","created_at":"2022-09-04T14:37:01.288728Z","updated_at":"2022-09-04T14:37:01.288745Z","structure_string":"K1 Mn1 O3\n1.0\n3.768810 -0.000000 0.000000\n0.000000 3.768810 0.000000\n-0.000000 -0.000000 3.768810\nK Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["K","Mn","O"],"chemical_system":"K-Mn-O","density":4.405856532209527,"density_atomic":0.0934022361056614,"volume":53.53190896140585,"volume_molar":6.447533818341828,"formula_full":"K1 Mn1 O3","formula_reduced":"KMnO3","formula_anonymous":"ABC3","energy_above_hull":1.9299491482758615,"spacegroup":221},{"id":"jvasp-15126","created_at":"2022-09-04T14:37:03.156587Z","updated_at":"2022-09-04T14:37:03.156625Z","structure_string":"Tb1 B1 Pd3\n1.0\n4.316436 0.000000 0.000000\n-0.000000 4.316436 0.000000\n-0.000000 -0.000000 4.316436\nTb B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n","nsites":5,"nelements":3,"elements":["Tb","B","Pd"],"chemical_system":"B-Pd-Tb","density":10.09668476154976,"density_atomic":0.062171892350947125,"volume":80.42219419309392,"volume_molar":9.686275473177325,"formula_full":"Tb1 B1 Pd3","formula_reduced":"TbBPd3","formula_anonymous":"ABC3","energy_above_hull":2.1990796166666664,"spacegroup":221}]}