{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3560","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3558","results":[{"id":"jvasp-12603","created_at":"2022-09-04T14:37:06.509471Z","updated_at":"2022-09-04T14:37:06.509498Z","structure_string":"Er2 H6 O6\n1.0\n3.116136 -5.397306 0.000000\n3.116136 5.397306 0.000000\n-0.000000 0.000000 3.493412\nEr H O\n2 6 6\ndirect\n0.666668 0.333333 0.750000 Er\n0.333333 0.666668 0.250000 Er\n0.725489 0.866672 0.750000 H\n0.858818 0.725489 0.250000 H\n0.141184 0.274513 0.750000 H\n0.274513 0.133329 0.250000 H\n0.866672 0.141184 0.250000 H\n0.133329 0.858818 0.750000 H\n0.915527 0.605106 0.250000 O\n0.605106 0.689580 0.750000 O\n0.084474 0.394895 0.750000 O\n0.394896 0.310421 0.250000 O\n0.689580 0.084474 0.250000 O\n0.310421 0.915527 0.750000 O\n","nsites":14,"nelements":3,"elements":["Er","H","O"],"chemical_system":"Er-H-O","density":6.169100133176153,"density_atomic":0.11913922962313508,"volume":117.50957299526978,"volume_molar":5.054708494464353,"formula_full":"Er2 H6 O6","formula_reduced":"Er(HO)3","formula_anonymous":"AB3C3","energy_above_hull":2.3642929285714285,"spacegroup":176},{"id":"jvasp-53632","created_at":"2022-09-04T14:37:08.220422Z","updated_at":"2022-09-04T14:37:08.220455Z","structure_string":"Cd4 Sn2 O8\n1.0\n5.784811 0.083612 3.241784\n2.007100 5.426101 3.241784\n-0.000000 -0.000000 6.483570\nCd Sn O\n4 2 8\ndirect\n0.111036 0.111036 0.138964 Cd\n0.500000 0.500000 -0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.888964 0.888964 0.861035 Cd\n0.500000 -0.000000 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n0.250317 0.250317 0.282228 O\n0.250317 0.250317 0.717138 O\n0.226183 0.705205 0.284306 O\n0.705205 0.226183 0.284306 O\n0.294795 0.773817 0.715693 O\n0.773817 0.294795 0.715693 O\n0.749683 0.749682 0.282861 O\n0.749683 0.749682 0.717771 O\n","nsites":14,"nelements":3,"elements":["Cd","Sn","O"],"chemical_system":"Cd-O-Sn","density":6.686134920864168,"density_atomic":0.06916158225904845,"volume":202.42451868093826,"volume_molar":8.707349605513283,"formula_full":"Cd4 Sn2 O8","formula_reduced":"Cd2SnO4","formula_anonymous":"AB2C4","energy_above_hull":0.8134993142857136,"spacegroup":74},{"id":"jvasp-12938","created_at":"2022-09-04T14:37:12.297807Z","updated_at":"2022-09-04T14:37:12.297842Z","structure_string":"Na4 Mg2 Cl8\n1.0\n3.799316 0.000000 0.000000\n0.000000 6.870110 0.000000\n0.000000 -0.000000 11.870316\nNa Mg Cl\n4 2 8\ndirect\n0.500001 0.083375 0.679815 Na\n0.500001 0.916626 0.320186 Na\n0.500001 0.416625 0.179814 Na\n0.500001 0.583375 0.820186 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.121891 0.195912 Cl\n0.000000 0.878110 0.804088 Cl\n0.000000 0.621891 0.304088 Cl\n0.000000 0.378109 0.695912 Cl\n0.500001 0.238740 0.955618 Cl\n0.500001 0.761260 0.044382 Cl\n0.500001 0.738740 0.544383 Cl\n0.500001 0.261260 0.455618 Cl\n","nsites":14,"nelements":3,"elements":["Na","Mg","Cl"],"chemical_system":"Cl-Mg-Na","density":2.273428427138852,"density_atomic":0.04518524566968208,"volume":309.8356508304562,"volume_molar":13.327670726908702,"formula_full":"Na4 Mg2 Cl8","formula_reduced":"Na2MgCl4","formula_anonymous":"AB2C4","energy_above_hull":0.0,"spacegroup":55},{"id":"jvasp-10953","created_at":"2022-09-04T14:37:08.599972Z","updated_at":"2022-09-04T14:37:08.599984Z","structure_string":"Mg2 Ni4 O8\n1.0\n5.831864 -0.017152 -0.022261\n-2.835937 5.095529 0.022844\n-2.838563 -1.749218 4.785092\nMg Ni O\n2 4 8\ndirect\n0.249985 0.874994 0.124976 Mg\n0.750014 0.125006 0.875023 Mg\n0.000000 -0.000000 0.500000 Ni\n0.499999 0.500000 0.499999 Ni\n0.499999 0.500000 -0.000000 Ni\n-0.000000 0.500000 0.499999 Ni\n0.044548 0.258735 0.755808 O\n0.002932 0.244258 0.288772 O\n0.497014 0.285797 0.741278 O\n0.544511 0.288751 0.285833 O\n0.502985 0.714203 0.258721 O\n-0.002933 0.755741 0.711226 O\n0.455487 0.711249 0.714166 O\n0.955451 0.741264 0.244191 O\n","nsites":14,"nelements":3,"elements":["Mg","Ni","O"],"chemical_system":"Mg-Ni-O","density":4.818617656521395,"density_atomic":0.09875509221357502,"volume":141.76484155087994,"volume_molar":6.098055933132112,"formula_full":"Mg2 Ni4 O8","formula_reduced":"Mg(NiO2)2","formula_anonymous":"AB2C4","energy_above_hull":1.5567311214285713,"spacegroup":88},{"id":"jvasp-11293","created_at":"2022-09-04T14:37:06.382432Z","updated_at":"2022-09-04T14:37:06.382464Z","structure_string":"Mg2 Co4 O8\n1.0\n2.858680 0.000321 -0.000002\n1.428514 6.916558 0.013897\n1.429257 1.021879 6.823995\nMg Co O\n2 4 8\ndirect\n0.670151 0.799160 0.853432 Mg\n0.329341 0.168833 0.165343 Mg\n0.367852 0.437457 0.819716 Co\n0.855094 0.796947 0.485748 Co\n0.144407 0.171026 0.533024 Co\n0.631642 0.530522 0.199059 Co\n0.134956 0.392540 0.330407 O\n0.538935 0.222738 0.692256 O\n0.460563 0.745232 0.326524 O\n0.864535 0.575442 0.688372 O\n0.835523 0.319042 0.002775 O\n0.217335 0.902397 0.655812 O\n0.163971 0.648942 0.015996 O\n0.782169 0.065580 0.362953 O\n","nsites":14,"nelements":3,"elements":["Mg","Co","O"],"chemical_system":"Co-Mg-O","density":5.076318469440483,"density_atomic":0.1037945282813189,"volume":134.88186932219762,"volume_molar":5.801982878787141,"formula_full":"Mg2 Co4 O8","formula_reduced":"Mg(CoO2)2","formula_anonymous":"AB2C4","energy_above_hull":2.28070355,"spacegroup":12},{"id":"jvasp-11197","created_at":"2022-09-04T14:37:13.243461Z","updated_at":"2022-09-04T14:37:13.243488Z","structure_string":"Ba4 Si2 Te8\n1.0\n0.000000 7.586619 0.006723\n7.629289 0.000000 0.000000\n0.000000 -3.077000 -9.130588\nBa Si Te\n4 2 8\ndirect\n0.724881 0.750000 0.926702 Ba\n0.275119 0.250000 0.073299 Ba\n0.777321 0.750000 0.447892 Ba\n0.222680 0.250000 0.552109 Ba\n0.210156 0.750000 0.293896 Si\n0.789844 0.250000 0.706105 Si\n0.990911 0.008430 0.231954 Te\n0.009089 0.508430 0.768047 Te\n0.622314 0.250000 0.431255 Te\n0.377686 0.750000 0.568745 Te\n0.595207 0.250000 0.877853 Te\n0.404793 0.750000 0.122148 Te\n0.990911 0.491570 0.231954 Te\n0.009089 0.991570 0.768047 Te\n","nsites":14,"nelements":3,"elements":["Ba","Si","Te"],"chemical_system":"Ba-Si-Te","density":5.1114342648152675,"density_atomic":0.026498827872941267,"volume":528.3252552576415,"volume_molar":22.726064673031768,"formula_full":"Ba4 Si2 Te8","formula_reduced":"Ba2SiTe4","formula_anonymous":"AB2C4","energy_above_hull":0.8676573723809522,"spacegroup":11},{"id":"jvasp-11599","created_at":"2022-09-04T14:37:06.333004Z","updated_at":"2022-09-04T14:37:06.333030Z","structure_string":"Al4 Cu2 O8\n1.0\n4.991425 0.000000 2.881800\n1.663808 4.705960 2.881800\n0.000000 0.000000 5.763602\nAl Cu O\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.125000 0.125000 0.125000 Cu\n0.874999 0.875000 0.875000 Cu\n0.735331 0.735331 0.735331 O\n0.264669 0.264669 0.705993 O\n0.264669 0.705993 0.264669 O\n0.705992 0.264669 0.264669 O\n0.735331 0.294007 0.735331 O\n0.294007 0.735331 0.735331 O\n0.264669 0.264669 0.264669 O\n0.735331 0.735331 0.294007 O\n","nsites":14,"nelements":3,"elements":["Al","Cu","O"],"chemical_system":"Al-Cu-O","density":4.452510320254815,"density_atomic":0.1034096982809808,"volume":135.38382020958755,"volume_molar":5.8235744423476365,"formula_full":"Al4 Cu2 O8","formula_reduced":"Al2CuO4","formula_anonymous":"AB2C4","energy_above_hull":1.6946100071428571,"spacegroup":227},{"id":"jvasp-9203","created_at":"2022-09-04T14:37:13.047054Z","updated_at":"2022-09-04T14:37:13.047081Z","structure_string":"Ba2 Al1 Ni3 O8\n1.0\n3.700293 0.000000 0.000000\n-0.000000 3.700293 -0.000000\n0.000000 -0.000000 12.411817\nBa Al Ni O\n2 1 3 8\ndirect\n0.500000 0.500000 0.827157 Ba\n0.500000 0.500000 0.172911 Ba\n0.500000 0.500000 0.499995 Al\n0.000000 0.000000 0.633073 Ni\n0.000000 0.000000 0.000080 Ni\n0.000000 0.000000 0.366888 Ni\n0.500000 0.000000 0.595322 O\n0.000000 0.500000 0.595322 O\n0.000000 0.500000 0.000028 O\n0.000000 0.000000 0.784434 O\n0.500000 0.000000 0.404624 O\n0.000000 0.500000 0.404624 O\n0.000000 0.000000 0.215512 O\n0.500000 0.000000 0.000028 O\n","nsites":14,"nelements":4,"elements":["Ba","Al","Ni","O"],"chemical_system":"Al-Ba-Ni-O","density":5.918435543896762,"density_atomic":0.08237974507550133,"volume":169.94468709716145,"volume_molar":7.310220193666158,"formula_full":"Ba2 Al1 Ni3 O8","formula_reduced":"Ba2AlNi3O8","formula_anonymous":"AB2C3D8","energy_above_hull":1.9585221385714284,"spacegroup":123},{"id":"jvasp-11196","created_at":"2022-09-04T14:37:12.440724Z","updated_at":"2022-09-04T14:37:12.440750Z","structure_string":"Ba4 Si2 Se8\n1.0\n0.000000 6.945584 0.062333\n7.068939 0.000000 0.000000\n0.000000 -2.963601 -8.751413\nBa Si Se\n4 2 8\ndirect\n0.704573 0.750000 0.918629 Ba\n0.295427 0.250000 0.081371 Ba\n0.790075 0.750000 0.457619 Ba\n0.209925 0.250000 0.542381 Ba\n0.199702 0.750000 0.285279 Si\n0.800298 0.250000 0.714721 Si\n0.988379 0.005757 0.223312 Se\n0.011621 0.505757 0.776688 Se\n0.643546 0.250000 0.451946 Se\n0.356454 0.750000 0.548054 Se\n0.589656 0.250000 0.861130 Se\n0.410343 0.750000 0.138870 Se\n0.988379 0.494243 0.223312 Se\n0.011621 0.994243 0.776688 Se\n","nsites":14,"nelements":3,"elements":["Ba","Si","Se"],"chemical_system":"Ba-Se-Si","density":4.795736647944426,"density_atomic":0.032682009032395494,"volume":428.37023838169597,"volume_molar":18.42647052092377,"formula_full":"Ba4 Si2 Se8","formula_reduced":"Ba2SiSe4","formula_anonymous":"AB2C4","energy_above_hull":1.1208277152380952,"spacegroup":11},{"id":"jvasp-85006","created_at":"2022-09-04T14:36:58.122719Z","updated_at":"2022-09-04T14:36:58.122730Z","structure_string":"Na2 Mn4 O8\n1.0\n4.861160 0.000000 -0.993175\n0.000000 5.713556 0.000000\n0.289904 0.000000 5.782512\nNa Mn O\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n-0.000000 0.000000 0.500000 Mn\n0.500000 0.752060 0.500000 Mn\n0.500000 0.247941 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.200347 0.752614 0.682419 O\n0.799653 0.247387 0.317581 O\n0.799653 0.752614 0.317581 O\n0.200347 0.247387 0.682419 O\n0.696669 0.500000 0.673742 O\n0.303331 0.500000 0.326258 O\n0.697773 0.000000 0.673975 O\n0.302227 0.000000 0.326026 O\n","nsites":14,"nelements":3,"elements":["Na","Mn","O"],"chemical_system":"Mn-Na-O","density":4.029539763191152,"density_atomic":0.08628578926919134,"volume":162.25151463033268,"volume_molar":6.9792961401933065,"formula_full":"Na2 Mn4 O8","formula_reduced":"NaMn2O4","formula_anonymous":"AB2C4","energy_above_hull":2.566641068965517,"spacegroup":10},{"id":"jvasp-12920","created_at":"2022-09-04T14:37:08.212372Z","updated_at":"2022-09-04T14:37:08.212400Z","structure_string":"Tl6 B2 Se6\n1.0\n0.000000 5.631251 -0.002032\n10.263880 0.000000 0.000000\n0.000000 -0.869032 -6.812098\nTl B Se\n6 2 6\ndirect\n0.731391 0.055891 0.333345 Tl\n0.268610 0.555891 0.666655 Tl\n0.268610 0.944109 0.666655 Tl\n0.731391 0.444109 0.333345 Tl\n0.195440 0.250000 0.017403 Tl\n0.804560 0.750000 0.982597 Tl\n0.609746 0.250000 0.738321 B\n0.390254 0.750000 0.261679 B\n0.244712 0.583951 0.167129 Se\n0.755288 0.083951 0.832871 Se\n0.755288 0.416049 0.832871 Se\n0.244712 0.916049 0.167129 Se\n0.683737 0.750000 0.450463 Se\n0.316263 0.250000 0.549537 Se\n","nsites":14,"nelements":3,"elements":["Tl","B","Se"],"chemical_system":"B-Se-Tl","density":7.260803037985834,"density_atomic":0.03555582054517607,"volume":393.7470654688465,"volume_molar":16.93714465778806,"formula_full":"Tl6 B2 Se6","formula_reduced":"Tl3BSe3","formula_anonymous":"AB3C3","energy_above_hull":1.0493429261904763,"spacegroup":11},{"id":"jvasp-34377","created_at":"2022-09-04T14:37:13.204007Z","updated_at":"2022-09-04T14:37:13.204031Z","structure_string":"Sr1 Ta2 Bi2 O9\n1.0\n3.888016 0.000000 -0.600006\n-0.092594 3.886914 -0.600006\n-0.026612 -0.027253 12.724671\nSr Ta Bi O\n1 2 2 9\ndirect\n0.000000 0.000000 0.000000 Sr\n0.586065 0.586063 0.172127 Ta\n0.413938 0.413937 0.827873 Ta\n0.199970 0.199969 0.399937 Bi\n0.800033 0.800031 0.600063 Bi\n0.077260 0.577258 0.154518 O\n0.250001 0.750000 0.500000 O\n0.422743 0.922741 0.845481 O\n0.500001 0.500000 -0.000000 O\n0.922743 0.422742 0.845481 O\n0.337550 0.337549 0.675098 O\n0.577260 0.077259 0.154518 O\n0.750001 0.250000 0.500000 O\n0.662452 0.662450 0.324901 O\n","nsites":14,"nelements":4,"elements":["Sr","Ta","Bi","O"],"chemical_system":"Bi-O-Sr-Ta","density":8.739977761046003,"density_atomic":0.07285104092168944,"volume":192.17295762526126,"volume_molar":8.266375722034562,"formula_full":"Sr1 Ta2 Bi2 O9","formula_reduced":"SrTa2Bi2O9","formula_anonymous":"AB2C2D9","energy_above_hull":3.0254189149999995,"spacegroup":139}]}