{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=83","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=81","results":[{"id":"jvasp-57883","created_at":"2022-09-04T14:36:35.107930Z","updated_at":"2022-09-04T14:36:35.107955Z","structure_string":"Ti12 O2\n1.0\n5.091925 -0.000000 0.000000\n-2.545962 4.409736 -0.000000\n-0.000000 -0.000000 9.481301\nTi O\n12 2\ndirect\n0.668237 0.668237 0.130603 Ti\n0.000001 0.668237 0.369397 Ti\n0.668236 0.000000 0.369397 Ti\n0.331763 0.331763 0.369397 Ti\n0.668236 0.000000 0.869397 Ti\n0.000001 0.668237 0.869397 Ti\n0.331763 0.331763 0.869397 Ti\n0.000000 0.331763 0.630603 Ti\n0.331763 0.000000 0.630603 Ti\n0.668237 0.668237 0.630603 Ti\n0.000000 0.331763 0.130603 Ti\n0.331763 0.000000 0.130603 Ti\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n","nsites":14,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":4.729854409703002,"density_atomic":0.0657605615527076,"volume":212.8935591399853,"volume_molar":9.157678428845545,"formula_full":"Ti12 O2","formula_reduced":"Ti6O","formula_anonymous":"AB6","energy_above_hull":4.014463357142858,"spacegroup":162},{"id":"jvasp-101536","created_at":"2022-09-04T14:36:34.621360Z","updated_at":"2022-09-04T14:36:34.621390Z","structure_string":"Al1 Ge3\n1.0\n3.812649 0.143944 -4.114483\n-0.482428 3.784742 -4.114483\n-0.122017 -0.143944 5.608063\nAl Ge\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.750000 0.250000 0.500000 Ge\n0.249999 0.750000 0.499999 Ge\n0.500000 0.499999 -0.000000 Ge\n","nsites":4,"nelements":2,"elements":["Al","Ge"],"chemical_system":"Al-Ge","density":5.285419384089925,"density_atomic":0.051987488032256314,"volume":76.94159020566926,"volume_molar":11.583827162919441,"formula_full":"Al1 Ge3","formula_reduced":"AlGe3","formula_anonymous":"AB3","energy_above_hull":1.0875126625,"spacegroup":139},{"id":"jvasp-100827","created_at":"2022-09-04T14:36:34.624041Z","updated_at":"2022-09-04T14:36:34.624062Z","structure_string":"La1 Hg3\n1.0\n3.839998 -0.000000 0.000000\n-1.919999 3.325536 0.000000\n-0.000000 0.000000 9.040968\nLa Hg\n1 3\ndirect\n0.000000 -0.000000 0.500000 La\n0.000000 0.000000 0.000000 Hg\n0.333334 0.666667 0.765310 Hg\n0.333334 0.666667 0.234690 Hg\n","nsites":4,"nelements":2,"elements":["La","Hg"],"chemical_system":"Hg-La","density":10.652939862717076,"density_atomic":0.03464594467170211,"volume":115.4536277738472,"volume_molar":17.381949942668832,"formula_full":"La1 Hg3","formula_reduced":"LaHg3","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":187},{"id":"jvasp-103043","created_at":"2022-09-04T14:36:34.706101Z","updated_at":"2022-09-04T14:36:34.706128Z","structure_string":"Tb1 Zr3\n1.0\n3.291315 0.000000 -0.000000\n-1.645657 2.850362 0.000000\n0.000000 -0.000000 10.571634\nTb Zr\n1 3\ndirect\n0.333332 0.666667 0.000000 Tb\n0.333332 0.666667 0.500000 Zr\n0.000000 0.000000 0.261501 Zr\n0.000000 0.000000 0.738499 Zr\n","nsites":4,"nelements":2,"elements":["Tb","Zr"],"chemical_system":"Tb-Zr","density":7.243048021133301,"density_atomic":0.04033187418256526,"volume":99.17714167939975,"volume_molar":14.931467684195203,"formula_full":"Tb1 Zr3","formula_reduced":"TbZr3","formula_anonymous":"AB3","energy_above_hull":3.599465475,"spacegroup":187},{"id":"jvasp-99328","created_at":"2022-09-04T14:36:34.748405Z","updated_at":"2022-09-04T14:36:34.748431Z","structure_string":"V16 O24\n1.0\n7.672116 -0.000000 -2.712503\n-3.836058 6.644247 -2.712503\n0.000000 0.000000 8.137508\nV O\n16 24\ndirect\n0.000000 0.000000 0.000000 V\n0.250000 0.033920 0.783920 V\n0.716080 0.750000 0.466081 V\n0.466080 0.716080 0.750001 V\n0.783920 0.250000 0.033920 V\n0.033920 0.783920 0.250000 V\n0.750000 0.966080 0.216081 V\n0.750000 0.466080 0.716081 V\n0.533920 0.283920 0.250000 V\n0.216080 0.750000 0.966081 V\n0.966081 0.216080 0.750001 V\n0.250000 0.533920 0.283920 V\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.283920 0.250000 0.533920 V\n-0.000000 0.500000 0.500000 V\n0.226379 0.274174 0.763469 O\n0.273621 0.037089 0.047795 O\n0.010705 0.462911 0.736532 O\n0.452206 0.489295 0.225826 O\n0.537090 0.263469 0.989295 O\n0.763469 0.226379 0.274175 O\n0.774174 0.547795 0.510706 O\n0.725826 0.236531 0.773621 O\n0.952206 0.726380 0.962912 O\n0.726380 0.962911 0.952206 O\n0.989295 0.537090 0.263470 O\n0.547795 0.510705 0.774175 O\n0.773621 0.725826 0.236532 O\n0.489295 0.225826 0.452206 O\n0.263469 0.989295 0.537090 O\n0.236531 0.773621 0.725827 O\n0.962911 0.952206 0.726380 O\n0.462911 0.736531 0.010706 O\n0.225826 0.452205 0.489295 O\n0.274174 0.763469 0.226380 O\n0.047795 0.273621 0.037090 O\n0.037089 0.047795 0.273621 O\n0.510705 0.774174 0.547795 O\n0.736532 0.010705 0.462911 O\n","nsites":40,"nelements":2,"elements":["V","O"],"chemical_system":"O-V","density":4.799918771017288,"density_atomic":0.09642899338149663,"volume":414.81299967272537,"volume_molar":6.245155682767465,"formula_full":"V16 O24","formula_reduced":"V2O3","formula_anonymous":"A2B3","energy_above_hull":2.9124797799999995,"spacegroup":206},{"id":"jvasp-78561","created_at":"2022-09-04T14:36:34.779403Z","updated_at":"2022-09-04T14:36:34.779429Z","structure_string":"Mg1 Ga1\n1.0\n3.083995 0.000000 0.000000\n0.000000 3.083995 0.000000\n0.000000 0.000000 3.997886\nMg Ga\n1 1\ndirect\n0.500001 0.500001 0.500001 Mg\n0.000000 0.000000 0.000000 Ga\n","nsites":2,"nelements":2,"elements":["Mg","Ga"],"chemical_system":"Ga-Mg","density":4.106279997499371,"density_atomic":0.05259836677044994,"volume":38.023994332911705,"volume_molar":11.44929230651183,"formula_full":"Mg1 Ga1","formula_reduced":"MgGa","formula_anonymous":"AB","energy_above_hull":0.2146904999999999,"spacegroup":123},{"id":"jvasp-14570","created_at":"2022-09-04T14:36:34.787891Z","updated_at":"2022-09-04T14:36:34.787917Z","structure_string":"Dy2 Mn4\n1.0\n4.402917 -0.000000 2.542025\n1.467639 4.151110 2.542025\n-0.000000 -0.000000 5.084050\nDy Mn\n2 4\ndirect\n0.125000 0.125000 0.125000 Dy\n0.875001 0.875000 0.875001 Dy\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500001 Mn\n0.500000 0.500000 0.000001 Mn\n","nsites":6,"nelements":2,"elements":["Dy","Mn"],"chemical_system":"Dy-Mn","density":9.734945417669577,"density_atomic":0.06457087876147588,"volume":92.9211451831705,"volume_molar":9.326403597890812,"formula_full":"Dy2 Mn4","formula_reduced":"DyMn2","formula_anonymous":"AB2","energy_above_hull":2.957516994252874,"spacegroup":227},{"id":"jvasp-93523","created_at":"2022-09-04T14:35:59.108931Z","updated_at":"2022-09-04T14:35:59.108970Z","structure_string":"Ca3 Mg3\n1.0\n3.693247 0.000000 0.000000\n-1.846624 3.198446 0.000000\n0.000000 0.000000 16.533238\nCa Mg\n3 3\ndirect\n0.333334 0.666668 0.842938 Ca\n0.000000 0.000000 0.648773 Ca\n0.333334 0.666668 0.175137 Ca\n0.000000 0.000000 0.008810 Mg\n0.333334 0.666668 0.484546 Mg\n0.000000 0.000000 0.339797 Mg\n","nsites":6,"nelements":2,"elements":["Ca","Mg"],"chemical_system":"Ca-Mg","density":1.6422386436466958,"density_atomic":0.03072175039053658,"volume":195.30137195074076,"volume_molar":19.60220587514128,"formula_full":"Ca3 Mg3","formula_reduced":"CaMg","formula_anonymous":"AB","energy_above_hull":0.2931865,"spacegroup":156},{"id":"jvasp-52630","created_at":"2022-09-04T14:36:34.855457Z","updated_at":"2022-09-04T14:36:34.855483Z","structure_string":"K4 O2\n1.0\n5.164928 0.001383 -0.018476\n-0.001592 5.164867 -0.008880\n-2.526679 -2.555411 6.602445\nK O\n4 2\ndirect\n0.049545 0.050715 0.101788 K\n0.452232 0.452456 0.903299 K\n0.698499 0.204462 0.403360 K\n0.295731 0.802621 0.601754 K\n0.500625 0.001715 0.002552 O\n0.247417 0.253397 0.502551 O\n","nsites":6,"nelements":2,"elements":["K","O"],"chemical_system":"K-O","density":1.7797862516818868,"density_atomic":0.03413560024006878,"volume":175.76957656532218,"volume_molar":17.641818856699462,"formula_full":"K4 O2","formula_reduced":"K2O","formula_anonymous":"AB2","energy_above_hull":0.0343666666666667,"spacegroup":141},{"id":"jvasp-11954","created_at":"2022-09-04T14:36:34.910404Z","updated_at":"2022-09-04T14:36:34.910435Z","structure_string":"Mg13 Al14\n1.0\n8.358545 -0.000000 -2.955192\n-4.179273 7.238713 -2.955192\n-0.000000 0.000000 8.865576\nMg Al\n13 14\ndirect\n0.000000 0.000000 0.000000 Mg\n0.309153 0.654576 0.654577 Mg\n0.690848 0.345424 0.345424 Mg\n0.345424 0.000000 0.654577 Mg\n0.345424 0.345424 0.690848 Mg\n0.345424 0.654576 0.000000 Mg\n0.345424 0.690847 0.345424 Mg\n0.000000 0.654576 0.345424 Mg\n0.654577 0.654576 0.309153 Mg\n0.654577 0.000000 0.345424 Mg\n0.654577 0.345424 0.000000 Mg\n0.654577 0.309152 0.654577 Mg\n0.000000 0.345424 0.654577 Mg\n0.000000 0.699836 0.699837 Al\n0.300164 0.000000 0.300164 Al\n0.699837 0.000000 0.699837 Al\n0.699837 0.699836 0.000000 Al\n0.300164 0.300163 0.000000 Al\n0.344762 0.344762 0.344762 Al\n0.000000 0.000000 0.655238 Al\n0.000000 0.344762 0.000000 Al\n0.000000 0.000000 0.344762 Al\n0.000000 0.655238 0.000000 Al\n0.655238 0.655238 0.655239 Al\n0.000000 0.300163 0.300164 Al\n0.344762 0.000000 0.000000 Al\n0.655238 0.000000 0.000000 Al\n","nsites":27,"nelements":2,"elements":["Mg","Al"],"chemical_system":"Al-Mg","density":2.1474639721984534,"density_atomic":0.05033438469453382,"volume":536.412636488077,"volume_molar":11.964268156940413,"formula_full":"Mg13 Al14","formula_reduced":"Mg13Al14","formula_anonymous":"A13B14","energy_above_hull":0.9403364973544972,"spacegroup":229},{"id":"jvasp-79182","created_at":"2022-09-04T14:36:34.965211Z","updated_at":"2022-09-04T14:36:34.965238Z","structure_string":"Mg3 Mn1\n1.0\n6.083047 -0.073348 0.000000\n-1.552521 2.689047 0.000000\n0.000000 0.000000 4.850114\nMg Mn\n3 1\ndirect\n0.669148 0.669148 0.250000 Mg\n0.318947 0.318946 0.749999 Mg\n0.840090 0.340089 0.749999 Mg\n0.171816 0.671816 0.250000 Mn\n","nsites":4,"nelements":2,"elements":["Mg","Mn"],"chemical_system":"Mg-Mn","density":2.6947755534050364,"density_atomic":0.05077178319787436,"volume":78.7839179177671,"volume_molar":11.86119608312699,"formula_full":"Mg3 Mn1","formula_reduced":"Mg3Mn","formula_anonymous":"AB3","energy_above_hull":0.6807610344827588,"spacegroup":25},{"id":"jvasp-101596","created_at":"2022-09-04T14:36:35.044574Z","updated_at":"2022-09-04T14:36:35.044599Z","structure_string":"Pm1 Nd3\n1.0\n5.151559 -0.000000 0.000000\n0.000000 5.151559 0.000000\n-0.000000 -0.000000 5.151559\nPm Nd\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n-0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 -0.000000 Nd\n","nsites":4,"nelements":2,"elements":["Pm","Nd"],"chemical_system":"Nd-Pm","density":7.01705654457436,"density_atomic":0.02925795428760995,"volume":136.71495828722055,"volume_molar":20.582918070079266,"formula_full":"Pm1 Nd3","formula_reduced":"PmNd3","formula_anonymous":"AB3","energy_above_hull":1.62152141875,"spacegroup":221}]}