{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=116","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=114","results":[{"id":"jvasp-52146","created_at":"2022-09-04T14:37:19.742958Z","updated_at":"2022-09-04T14:37:19.742993Z","structure_string":"Nb4 Tl4 O14\n1.0\n7.613764 0.000000 0.000000\n3.806882 6.593714 -0.000000\n3.806882 2.197905 6.216613\nNb Tl O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n-0.000000 0.000000 0.500000 Nb\n0.500000 -0.000000 -0.000000 Nb\n0.499999 0.000000 0.500000 Tl\n-0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.312499 0.937500 0.937500 O\n0.937499 0.312500 0.312500 O\n0.937500 0.937500 0.312500 O\n0.624999 0.625000 0.625000 O\n0.312500 0.937500 0.312500 O\n0.312499 0.312500 0.937500 O\n0.062500 0.687500 0.687500 O\n0.375000 0.375000 0.375000 O\n0.062499 0.062500 0.687500 O\n0.062500 0.687500 0.062500 O\n0.937499 0.312500 0.937500 O\n0.687499 0.062500 0.687500 O\n0.687500 0.687500 0.062500 O\n0.687500 0.062500 0.062500 O\n","nsites":22,"nelements":3,"elements":["Nb","Tl","O"],"chemical_system":"Nb-O-Tl","density":7.518896548379585,"density_atomic":0.07049191869249202,"volume":312.09251227748445,"volume_molar":8.543022904895635,"formula_full":"Nb4 Tl4 O14","formula_reduced":"Nb2Tl2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.738395318181818,"spacegroup":227},{"id":"jvasp-50010","created_at":"2022-09-04T14:37:13.046128Z","updated_at":"2022-09-04T14:37:13.046159Z","structure_string":"In4 Sn4 O14\n1.0\n0.000024 5.175027 5.175248\n5.175195 -0.000116 5.175388\n5.175089 5.175062 -0.000011\nIn Sn O\n4 4 14\ndirect\n0.499993 0.500008 0.999994 In\n0.500005 0.000001 0.499996 In\n0.000000 0.499995 0.500007 In\n0.500002 0.499998 0.499999 In\n0.000002 -0.000000 0.000002 Sn\n0.499998 0.000000 0.000000 Sn\n0.000002 0.499997 0.000001 Sn\n-0.000003 0.000001 0.500000 Sn\n0.908189 0.341812 0.908177 O\n0.908177 0.908179 0.341819 O\n0.625000 0.625001 0.624996 O\n0.341827 0.341813 0.908175 O\n0.341818 0.908182 0.341814 O\n0.091815 0.091820 0.658184 O\n0.658179 0.658188 0.091822 O\n0.658175 0.091823 0.658181 O\n0.091826 0.658181 0.091822 O\n0.091815 0.658190 0.658180 O\n0.908182 0.341812 0.341821 O\n0.658178 0.091822 0.091819 O\n0.375001 0.375000 0.374999 O\n0.341826 0.908173 0.908179 O\n","nsites":22,"nelements":3,"elements":["In","Sn","O"],"chemical_system":"In-O-Sn","density":6.937273102295397,"density_atomic":0.07936243120170647,"volume":277.20924960180594,"volume_molar":7.588150550345678,"formula_full":"In4 Sn4 O14","formula_reduced":"In2Sn2O7","formula_anonymous":"A2B2C7","energy_above_hull":1.6875498036363634,"spacegroup":227},{"id":"jvasp-12835","created_at":"2022-09-04T14:37:13.015989Z","updated_at":"2022-09-04T14:37:13.016005Z","structure_string":"Na4 B4 Se14\n1.0\n6.388333 0.000000 2.040369\n2.820497 7.354333 2.190133\n-0.017909 0.041082 11.077096\nNa B Se\n4 4 14\ndirect\n0.672875 0.181759 0.034873 Na\n0.889507 0.318241 0.465127 Na\n0.327125 0.818240 0.965127 Na\n0.110493 0.681759 0.534873 Na\n0.835737 0.614170 0.150248 B\n0.600155 0.885830 0.349752 B\n0.164263 0.385830 0.849753 B\n0.399845 0.114170 0.650248 B\n0.913252 0.901245 0.275387 Se\n0.089884 0.598755 0.224613 Se\n0.630304 0.854150 0.669618 Se\n0.154073 0.645849 0.830382 Se\n0.369697 0.145849 0.330382 Se\n0.845927 0.354151 0.169618 Se\n0.197965 0.218351 0.022386 Se\n0.802035 0.781648 0.977614 Se\n0.438702 0.281649 0.477614 Se\n0.910117 0.401245 0.775387 Se\n0.482425 0.250000 0.750000 Se\n0.517576 0.750000 0.250000 Se\n0.561298 0.718351 0.522386 Se\n0.086748 0.098755 0.724614 Se\n","nsites":22,"nelements":3,"elements":["Na","B","Se"],"chemical_system":"B-Na-Se","density":3.9591076646825516,"density_atomic":0.042278935009623445,"volume":520.3536937482556,"volume_molar":14.243832676081487,"formula_full":"Na4 B4 Se14","formula_reduced":"Na2B2Se7","formula_anonymous":"A2B2C7","energy_above_hull":1.8620651575757576,"spacegroup":15},{"id":"jvasp-49694","created_at":"2022-09-04T14:37:14.432210Z","updated_at":"2022-09-04T14:37:14.432229Z","structure_string":"Y4 Ni4 O14\n1.0\n6.056538 0.000000 3.496744\n2.018846 5.710159 3.496744\n-0.000000 -0.000000 6.993488\nY Ni O\n4 4 14\ndirect\n0.500000 -0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 -0.000001 Y\n0.500000 0.500000 0.499999 Y\n0.000000 0.500000 -0.000000 Ni\n0.500000 -0.000000 -0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.670086 0.079914 0.079913 O\n0.079914 0.079914 0.670086 O\n0.670087 0.670086 0.079913 O\n0.920086 0.329914 0.329913 O\n0.329915 0.920086 0.329913 O\n0.329914 0.329914 0.920086 O\n0.329915 0.920086 0.920085 O\n0.920086 0.329914 0.920085 O\n0.079914 0.670086 0.670086 O\n0.670086 0.079914 0.670086 O\n0.375000 0.375000 0.375000 O\n0.625000 0.625000 0.624999 O\n0.920087 0.920086 0.329913 O\n0.079914 0.670086 0.079913 O\n","nsites":22,"nelements":3,"elements":["Y","Ni","O"],"chemical_system":"Ni-O-Y","density":5.591319394768696,"density_atomic":0.09096120374267629,"volume":241.86135511395233,"volume_molar":6.62055965863894,"formula_full":"Y4 Ni4 O14","formula_reduced":"Y2Ni2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.519474563636363,"spacegroup":227},{"id":"jvasp-9725","created_at":"2022-09-04T14:37:19.460217Z","updated_at":"2022-09-04T14:37:19.460249Z","structure_string":"Sc2 Si2 O7\n1.0\n4.688281 0.001333 -0.634526\n-0.921840 5.113208 -1.402450\n-0.002214 0.003898 5.381592\nSc Si O\n2 2 7\ndirect\n0.000001 0.309475 0.690525 Sc\n0.000000 0.690526 0.309475 Sc\n0.408217 0.224835 0.224835 Si\n0.591783 0.775165 0.775164 Si\n0.786904 0.922086 0.605193 O\n0.213097 0.394806 0.077914 O\n0.213097 0.077914 0.394806 O\n0.786904 0.605194 0.922085 O\n0.500000 -0.000000 -0.000000 O\n0.278743 0.604756 0.604755 O\n0.721258 0.395245 0.395244 O\n","nsites":11,"nelements":3,"elements":["Sc","Si","O"],"chemical_system":"O-Sc-Si","density":3.3211709410055295,"density_atomic":0.08524772199589685,"volume":129.03570608642718,"volume_molar":7.064283501076848,"formula_full":"Sc2 Si2 O7","formula_reduced":"Sc2Si2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.8125674727272725,"spacegroup":12},{"id":"jvasp-49865","created_at":"2022-09-04T14:37:08.442190Z","updated_at":"2022-09-04T14:37:08.442217Z","structure_string":"Sm2 Ge2 O7\n1.0\n3.618977 0.039947 4.671949\n-1.064360 4.900240 0.000000\n-3.618977 -0.039947 4.671949\nSm Ge O\n2 2 7\ndirect\n0.302560 0.500000 0.302560 Sm\n0.697441 0.500000 0.697441 Sm\n0.227749 0.914834 0.772251 Ge\n0.772251 0.085166 0.227749 Ge\n0.398821 0.719357 0.914167 O\n0.085833 0.719357 0.601179 O\n0.393627 0.225552 0.606374 O\n0.606374 0.774448 0.393627 O\n0.000000 0.000000 0.000000 O\n0.601179 0.280643 0.085833 O\n0.914167 0.280643 0.398821 O\n","nsites":11,"nelements":3,"elements":["Sm","Ge","O"],"chemical_system":"Ge-O-Sm","density":5.578388585007542,"density_atomic":0.06622491676989711,"volume":166.10062400259758,"volume_molar":9.09346670970434,"formula_full":"Sm2 Ge2 O7","formula_reduced":"Sm2Ge2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.122866740909091,"spacegroup":12},{"id":"jvasp-21234","created_at":"2022-09-04T14:37:08.394272Z","updated_at":"2022-09-04T14:37:08.394291Z","structure_string":"Tb4 Ti4 O14\n1.0\n6.230198 0.000000 3.597007\n2.076732 5.873887 3.597007\n0.000000 0.000000 7.194014\nTb Ti O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Tb\n-0.000000 0.500000 0.500000 Tb\n0.500000 -0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 -0.000000 0.000000 Ti\n-0.000000 0.500000 0.000000 Ti\n0.079757 0.670243 0.079757 O\n0.670243 0.079757 0.670243 O\n0.670243 0.079757 0.079757 O\n0.625000 0.625000 0.625000 O\n0.920243 0.329757 0.329757 O\n0.329757 0.920243 0.329757 O\n0.329757 0.329757 0.920243 O\n0.920243 0.920243 0.329757 O\n0.920243 0.329757 0.920243 O\n0.079757 0.670243 0.670243 O\n0.329757 0.920243 0.920243 O\n0.375000 0.375000 0.375000 O\n0.670243 0.670243 0.079757 O\n0.079757 0.079757 0.670243 O\n","nsites":22,"nelements":3,"elements":["Tb","Ti","O"],"chemical_system":"O-Tb-Ti","density":6.630093021857667,"density_atomic":0.08356491305832414,"volume":263.268388547776,"volume_molar":7.206542243150359,"formula_full":"Tb4 Ti4 O14","formula_reduced":"Tb2Ti2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.687064360606061,"spacegroup":227},{"id":"jvasp-49899","created_at":"2022-09-04T14:37:09.075041Z","updated_at":"2022-09-04T14:37:09.075062Z","structure_string":"Nb4 Pb4 O14\n1.0\n0.000000 5.422202 5.422202\n5.422202 0.000000 5.422202\n5.422202 5.422202 -0.000000\nNb Pb O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Pb\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.811431 0.438569 0.811431 O\n0.811431 0.811431 0.438569 O\n0.438569 0.438569 0.811431 O\n0.438569 0.811431 0.438569 O\n0.188570 0.561431 0.561431 O\n0.811431 0.438569 0.438569 O\n0.561431 0.188570 0.561431 O\n0.188570 0.561431 0.188570 O\n0.188570 0.188570 0.561431 O\n0.438569 0.811431 0.811431 O\n0.561431 0.188570 0.188570 O\n0.125000 0.125000 0.125000 O\n0.561431 0.561431 0.188570 O\n0.875000 0.875000 0.875000 O\n","nsites":22,"nelements":3,"elements":["Nb","Pb","O"],"chemical_system":"Nb-O-Pb","density":7.418723893731905,"density_atomic":0.06900262406193897,"volume":318.8284547012603,"volume_molar":8.727408329564877,"formula_full":"Nb4 Pb4 O14","formula_reduced":"Nb2Pb2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.915603176363636,"spacegroup":227},{"id":"jvasp-59617","created_at":"2022-09-04T14:37:19.671216Z","updated_at":"2022-09-04T14:37:19.671241Z","structure_string":"Nd4 Ru4 O14\n1.0\n6.368997 -0.000000 3.677142\n2.122999 6.004748 3.677142\n-0.000000 -0.000000 7.354283\nNd Ru O\n4 4 14\ndirect\n0.500000 0.500000 0.499999 Nd\n-0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 -0.000000 Nd\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 -0.000000 Ru\n-0.000000 0.500000 -0.000000 Ru\n0.671395 0.078605 0.078605 O\n0.078605 0.078605 0.671395 O\n0.671395 0.671395 0.078604 O\n0.328605 0.921395 0.921394 O\n0.375000 0.375000 0.374999 O\n0.671395 0.078605 0.671394 O\n0.078605 0.671395 0.078605 O\n0.328605 0.921395 0.328604 O\n0.328605 0.328605 0.921394 O\n0.921395 0.921395 0.328604 O\n0.921395 0.328605 0.921394 O\n0.078605 0.671395 0.671394 O\n0.625000 0.625000 0.624999 O\n0.921395 0.328605 0.328604 O\n","nsites":22,"nelements":3,"elements":["Nd","Ru","O"],"chemical_system":"Nd-O-Ru","density":7.1156785670125435,"density_atomic":0.07821976600022197,"volume":281.258831686323,"volume_molar":7.699001247309933,"formula_full":"Nd4 Ru4 O14","formula_reduced":"Nd2Ru2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.996716227272727,"spacegroup":227},{"id":"jvasp-34264","created_at":"2022-09-04T14:37:09.214811Z","updated_at":"2022-09-04T14:37:09.214831Z","structure_string":"Zn2 P2 O7\n1.0\n4.482865 0.021696 -0.735628\n-1.077300 5.073976 -1.195933\n0.017080 -0.007463 5.323128\nZn P O\n2 2 7\ndirect\n0.500002 0.691198 0.308801 Zn\n0.500000 0.308803 0.691199 Zn\n0.092231 0.784575 0.784574 P\n0.907771 0.215427 0.215426 P\n0.276708 0.930400 0.624844 O\n0.723294 0.375158 0.069602 O\n0.723294 0.069602 0.375157 O\n0.276708 0.624843 0.930399 O\n0.213600 0.381529 0.381529 O\n-0.000000 0.000000 0.000001 O\n0.786402 0.618472 0.618472 O\n","nsites":11,"nelements":3,"elements":["Zn","P","O"],"chemical_system":"O-P-Zn","density":4.174742046885692,"density_atomic":0.09074305201829591,"volume":121.2214021386689,"volume_molar":6.636475880032993,"formula_full":"Zn2 P2 O7","formula_reduced":"Zn2P2O7","formula_anonymous":"A2B2C7","energy_above_hull":1.9747069363636365,"spacegroup":12},{"id":"jvasp-54712","created_at":"2022-09-04T14:37:27.213994Z","updated_at":"2022-09-04T14:37:27.214015Z","structure_string":"H4 W4 O14\n1.0\n5.182584 5.182584 -0.000000\n0.000000 5.182584 5.137771\n5.182584 0.000000 5.137771\nH W O\n4 4 14\ndirect\n0.532179 0.717821 0.717821 H\n0.717820 0.532179 0.532179 H\n0.467820 0.282179 0.282179 H\n0.282179 0.467821 0.467821 H\n-0.000000 0.500000 0.000000 W\n-0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.000000 W\n0.000000 0.000000 0.000000 W\n0.306069 0.943930 0.306070 O\n0.943929 0.306070 0.943930 O\n0.306069 0.306070 0.943930 O\n0.943929 0.943930 0.306070 O\n0.939176 0.310823 0.310823 O\n0.310822 0.939177 0.939177 O\n0.056069 0.056070 0.693930 O\n0.056069 0.693930 0.056070 O\n0.693930 0.693930 0.056070 O\n0.624999 0.625000 0.625000 O\n0.060822 0.689177 0.689177 O\n0.689177 0.060823 0.060823 O\n0.693930 0.056070 0.693930 O\n0.374999 0.375000 0.375000 O\n","nsites":22,"nelements":3,"elements":["H","W","O"],"chemical_system":"H-O-W","density":5.796299257710898,"density_atomic":0.07971228199745839,"volume":275.99260049663945,"volume_molar":7.55484676776913,"formula_full":"H4 W4 O14","formula_reduced":"H2W2O7","formula_anonymous":"A2B2C7","energy_above_hull":3.9997267727272727,"spacegroup":141},{"id":"jvasp-49599","created_at":"2022-09-04T14:37:27.428921Z","updated_at":"2022-09-04T14:37:27.428942Z","structure_string":"Ti4 Al4 O14\n1.0\n5.864161 -0.000000 3.385676\n1.954721 5.528784 3.385676\n-0.000000 -0.000000 6.771349\nTi Al O\n4 4 14\ndirect\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500001 Al\n0.500000 0.500000 0.000001 Al\n0.500000 0.500000 0.500001 Al\n0.651837 0.098163 0.098163 O\n0.098163 0.098163 0.651838 O\n0.651837 0.651837 0.098164 O\n0.901837 0.348162 0.348164 O\n0.348163 0.901837 0.348164 O\n0.348163 0.348162 0.901838 O\n0.348163 0.901837 0.901839 O\n0.901837 0.348162 0.901838 O\n0.098163 0.651837 0.651838 O\n0.651837 0.098163 0.651838 O\n0.375000 0.375000 0.375001 O\n0.625000 0.625000 0.625001 O\n0.901837 0.901837 0.348164 O\n0.098163 0.651837 0.098163 O\n","nsites":22,"nelements":3,"elements":["Ti","Al","O"],"chemical_system":"Al-O-Ti","density":3.958770164948622,"density_atomic":0.10021021044378843,"volume":219.5385071298758,"volume_molar":6.009508146256253,"formula_full":"Ti4 Al4 O14","formula_reduced":"Ti2Al2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.8184951606060604,"spacegroup":227}]}