{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=updated_at&page=4358","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=updated_at&page=4356","results":[{"id":"jvasp-118781","created_at":"2022-09-04T14:38:46.967193Z","updated_at":"2022-09-04T14:38:46.967227Z","structure_string":"Na2 Cu1\n1.0\n3.598424 0.000000 0.000000\n0.000000 2.809529 0.000000\n0.000000 0.000000 7.324569\nNa Cu\n2 1\ndirect\n-0.033293 0.000000 0.717761 Na\n-0.033293 0.000000 0.282240 Na\n0.466585 0.000000 0.000000 Cu\n","nsites":3,"nelements":2,"elements":["Na","Cu"],"chemical_system":"Cu-Na","density":2.4560463946537783,"density_atomic":0.04051289946053355,"volume":74.05048860851123,"volume_molar":14.864748858241038,"formula_full":"Na2 Cu1","formula_reduced":"Na2Cu","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":47},{"id":"jvasp-113078","created_at":"2022-09-04T14:38:46.971963Z","updated_at":"2022-09-04T14:38:46.971989Z","structure_string":"Na3 Ho1 Ti2 Nb2 O12\n1.0\n5.405417 -0.006459 0.004409\n0.066785 5.555255 0.006430\n0.000833 -0.006279 7.733652\nNa Ho Ti Nb O\n3 1 2 2 12\ndirect\n0.496218 0.533167 0.748638 Na\n-0.003551 0.010779 0.751684 Na\n0.511741 0.458151 0.250355 Na\n0.989958 0.933311 0.250412 Ho\n0.490212 0.984883 0.006489 Ti\n0.006724 0.478631 0.495966 Ti\n0.493952 0.994211 0.509795 Nb\n0.005710 0.478641 0.989966 Nb\n0.717635 0.727049 0.444405 O\n0.805403 0.202254 0.053113 O\n0.713661 0.729204 0.054985 O\n0.808593 0.207056 0.447179 O\n0.299060 0.309436 0.539714 O\n0.919034 0.492818 0.745797 O\n0.081195 0.529489 0.252222 O\n0.398882 0.035346 0.247050 O\n0.193808 0.807833 0.523689 O\n0.568122 0.977352 0.753984 O\n0.198532 0.808589 0.977436 O\n0.305119 0.301785 0.957119 O\n","nsites":20,"nelements":5,"elements":["Na","Ho","Ti","Nb","O"],"chemical_system":"Ho-Na-Nb-O-Ti","density":5.058407095002468,"density_atomic":0.08612030569305795,"volume":232.23326762543266,"volume_molar":6.992707133975532,"formula_full":"Na3 Ho1 Ti2 Nb2 O12","formula_reduced":"Na3HoTi2Nb2O12","formula_anonymous":"AB2C2D3E12","energy_above_hull":2.813920501666667,"spacegroup":1},{"id":"jvasp-118724","created_at":"2022-09-04T14:38:46.972108Z","updated_at":"2022-09-04T14:38:46.972141Z","structure_string":"Mg1 Ta1 O1\n1.0\n2.945843 0.000000 0.000000\n-0.000000 2.945843 -0.000000\n0.000000 0.000000 6.714486\nMg Ta O\n1 1 1\ndirect\n0.000000 0.000000 0.288817 Mg\n0.000000 0.000000 0.736204 Ta\n0.000000 0.000000 0.003760 O\n","nsites":3,"nelements":3,"elements":["Mg","Ta","O"],"chemical_system":"Mg-O-Ta","density":6.305287376048082,"density_atomic":0.051486016040966476,"volume":58.268248947693976,"volume_molar":11.696653233391165,"formula_full":"Mg1 Ta1 O1","formula_reduced":"MgTaO","formula_anonymous":"ABC","energy_above_hull":2.2041839166666657,"spacegroup":99},{"id":"jvasp-116993","created_at":"2022-09-04T14:38:46.973130Z","updated_at":"2022-09-04T14:38:46.973158Z","structure_string":"Zr4 Al4 Pd4\n1.0\n5.315694 -0.001113 0.000000\n-2.591681 4.641098 0.000000\n-0.000000 -0.000000 8.431946\nZr Al Pd\n4 4 4\ndirect\n0.667570 0.332430 0.301142 Zr\n0.336312 0.663688 0.181443 Zr\n0.336312 0.663688 0.818557 Zr\n0.667570 0.332430 0.698859 Zr\n0.003607 0.996394 0.246271 Al\n0.003607 0.996394 0.753729 Al\n0.649364 0.831651 0.500000 Al\n0.168350 0.350636 0.500000 Al\n0.164609 0.835392 0.500000 Pd\n0.338240 0.167943 -0.000000 Pd\n0.832057 0.661760 -0.000000 Pd\n0.832818 0.167183 -0.000000 Pd\n","nsites":12,"nelements":3,"elements":["Zr","Al","Pd"],"chemical_system":"Al-Pd-Zr","density":7.173159265995398,"density_atomic":0.05769305005728872,"volume":207.99732356122792,"volume_molar":10.438243001574826,"formula_full":"Zr4 Al4 Pd4","formula_reduced":"ZrAlPd","formula_anonymous":"ABC","energy_above_hull":2.0350210000000004,"spacegroup":38},{"id":"jvasp-102803","created_at":"2022-09-04T14:38:46.975745Z","updated_at":"2022-09-04T14:38:46.975776Z","structure_string":"Al6 Co1 Cu3\n1.0\n4.104690 0.000000 0.000000\n-2.052346 3.554766 0.000000\n-0.000000 -0.000000 9.914370\nAl Co Cu\n6 1 3\ndirect\n0.666666 0.333334 0.188590 Al\n0.666666 0.333334 0.672128 Al\n0.000000 0.000000 0.329542 Al\n0.000000 0.000000 0.823024 Al\n0.333333 0.666667 0.005154 Al\n0.333333 0.666667 0.472132 Al\n0.666666 0.333334 0.429740 Co\n0.666666 0.333334 0.923338 Cu\n0.000000 0.000000 0.078751 Cu\n0.000000 0.000000 0.577599 Cu\n","nsites":10,"nelements":3,"elements":["Al","Co","Cu"],"chemical_system":"Al-Co-Cu","density":4.72302958466995,"density_atomic":0.06912632939547919,"volume":144.66267900308898,"volume_molar":8.711790156752983,"formula_full":"Al6 Co1 Cu3","formula_reduced":"Al6CoCu3","formula_anonymous":"AB3C6","energy_above_hull":1.421476905,"spacegroup":156},{"id":"jvasp-115435","created_at":"2022-09-04T14:38:46.977406Z","updated_at":"2022-09-04T14:38:46.977432Z","structure_string":"Na1 Sr1 As1\n1.0\n3.384996 -0.000000 0.000000\n-0.000000 3.384996 -0.000000\n0.000000 -0.000000 9.367245\nNa Sr As\n1 1 1\ndirect\n0.000000 0.000000 0.562840 Na\n0.000000 0.000000 -0.046214 Sr\n0.000000 0.000000 0.265699 As\n","nsites":3,"nelements":3,"elements":["Na","Sr","As"],"chemical_system":"As-Na-Sr","density":2.870372418946198,"density_atomic":0.0279507236111678,"volume":107.3317471752803,"volume_molar":21.545562983542347,"formula_full":"Na1 Sr1 As1","formula_reduced":"NaSrAs","formula_anonymous":"ABC","energy_above_hull":0.40522,"spacegroup":99},{"id":"jvasp-116873","created_at":"2022-09-04T14:38:46.978234Z","updated_at":"2022-09-04T14:38:46.978262Z","structure_string":"Ni6 O1 F11\n1.0\n10.302273 0.040861 0.000000\n-8.202354 6.233771 0.000000\n-0.000000 -0.000000 3.058935\nNi O F\n6 1 11\ndirect\n0.000241 0.999759 -0.000000 Ni\n0.493160 0.506839 0.500001 Ni\n0.169355 0.830645 0.500001 Ni\n0.341374 0.658626 -0.000000 Ni\n0.664206 0.335793 -0.000000 Ni\n0.832306 0.167693 0.500001 Ni\n0.398114 0.601885 0.500001 O\n0.028976 0.363824 -0.000000 F\n0.730744 0.269256 0.500001 F\n0.270773 0.729227 0.500001 F\n0.597774 0.402226 0.500001 F\n0.698125 0.697506 -0.000000 F\n0.302494 0.301875 -0.000000 F\n0.636176 0.971024 -0.000000 F\n0.364934 0.029332 -0.000000 F\n0.066790 0.933210 0.500001 F\n0.970668 0.635066 -0.000000 F\n0.934042 0.065958 0.500001 F\n","nsites":18,"nelements":3,"elements":["Ni","O","F"],"chemical_system":"F-Ni-O","density":4.8530776688352,"density_atomic":0.09115023493929278,"volume":197.47617778482118,"volume_molar":6.606829663149879,"formula_full":"Ni6 O1 F11","formula_reduced":"Ni6OF11","formula_anonymous":"AB6C11","energy_above_hull":0.3950161670833334,"spacegroup":38},{"id":"jvasp-114025","created_at":"2022-09-04T14:38:46.979533Z","updated_at":"2022-09-04T14:38:46.979559Z","structure_string":"S2 F2\n1.0\n3.167324 0.000000 -0.000000\n-0.000000 3.167324 0.000000\n-0.000000 -0.000000 6.775686\nS F\n2 2\ndirect\n0.000000 0.000000 0.249902 S\n0.499998 0.499998 0.750098 S\n0.000000 0.000000 0.749931 F\n0.499998 0.499998 0.250070 F\n","nsites":4,"nelements":2,"elements":["S","F"],"chemical_system":"F-S","density":2.494885356322443,"density_atomic":0.05884664890893395,"volume":67.9732843613586,"volume_molar":10.233617158590205,"formula_full":"S2 F2","formula_reduced":"SF","formula_anonymous":"AB","energy_above_hull":0.7723424999999999,"spacegroup":139},{"id":"jvasp-119267","created_at":"2022-09-04T14:38:46.979799Z","updated_at":"2022-09-04T14:38:46.979830Z","structure_string":"Mn4 O2 F8\n1.0\n2.996890 -0.350087 -0.000513\n-2.235947 5.028391 -0.000126\n0.002410 0.001283 11.711808\nMn O F\n4 2 8\ndirect\n-0.104976 0.118296 0.206812 Mn\n0.212456 0.469006 0.903576 Mn\n0.787578 0.530996 0.403578 Mn\n0.104975 0.881714 0.706818 Mn\n0.407928 0.671589 0.764153 O\n0.592060 0.328404 0.264153 O\n0.042243 0.284651 0.045925 F\n0.043400 0.300377 0.452671 F\n0.177656 0.885042 0.157970 F\n0.575248 0.789562 0.346212 F\n0.424750 0.210419 0.846209 F\n0.822328 0.114952 0.657970 F\n0.957791 0.715362 0.545926 F\n0.956627 0.699620 0.952674 F\n","nsites":14,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.0067409984692315,"density_atomic":0.08367011379508753,"volume":167.3237834274581,"volume_molar":7.197481259256485,"formula_full":"Mn4 O2 F8","formula_reduced":"Mn2OF4","formula_anonymous":"AB2C4","energy_above_hull":1.350297016108374,"spacegroup":4},{"id":"jvasp-113167","created_at":"2022-09-04T14:38:46.988082Z","updated_at":"2022-09-04T14:38:46.988109Z","structure_string":"Na4 Fe4 O8\n1.0\n5.374169 -0.000000 0.000000\n0.000000 5.723116 0.000000\n-0.000000 -0.000000 7.190570\nNa Fe O\n4 4 8\ndirect\n0.019878 0.924303 0.621763 Na\n0.019878 0.424303 0.878237 Na\n0.519878 0.575698 0.121763 Na\n0.519878 0.075698 0.378237 Na\n0.507890 0.568651 0.626488 Fe\n0.507890 0.068650 0.873512 Fe\n0.007890 0.431350 0.373512 Fe\n0.007890 0.931350 0.126488 Fe\n0.089704 0.609194 0.158358 O\n0.157126 0.545668 0.593479 O\n0.657126 0.954333 0.093479 O\n0.589704 0.890807 0.658358 O\n0.657126 0.454333 0.406521 O\n0.589704 0.390807 0.841642 O\n0.089704 0.109194 0.341642 O\n0.157126 0.045668 0.906521 O\n","nsites":16,"nelements":3,"elements":["Na","Fe","O"],"chemical_system":"Fe-Na-O","density":3.3286890069542587,"density_atomic":0.07234571216389712,"volume":221.16030821221943,"volume_molar":8.32411566611856,"formula_full":"Na4 Fe4 O8","formula_reduced":"NaFeO2","formula_anonymous":"ABC2","energy_above_hull":1.503232875,"spacegroup":33},{"id":"jvasp-116994","created_at":"2022-09-04T14:38:46.988575Z","updated_at":"2022-09-04T14:38:46.988617Z","structure_string":"Zr4 Si2 Mo6\n1.0\n5.273560 -0.000000 0.000000\n-2.636779 4.567037 0.000000\n-0.000000 -0.000000 8.730882\nZr Si Mo\n4 2 6\ndirect\n0.333333 0.666667 0.436507 Zr\n0.666667 0.333334 0.563492 Zr\n0.666667 0.333334 0.936507 Zr\n0.333333 0.666667 0.063492 Zr\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.829614 0.170386 0.250000 Mo\n0.829614 0.659230 0.250000 Mo\n0.340771 0.170386 0.250000 Mo\n0.170386 0.829615 0.750000 Mo\n0.170386 0.340771 0.750000 Mo\n0.659230 0.829615 0.750000 Mo\n","nsites":12,"nelements":3,"elements":["Zr","Si","Mo"],"chemical_system":"Mo-Si-Zr","density":7.870821541073017,"density_atomic":0.05706695576561053,"volume":210.27930855970757,"volume_molar":10.552763292183599,"formula_full":"Zr4 Si2 Mo6","formula_reduced":"Zr2SiMo3","formula_anonymous":"AB2C3","energy_above_hull":5.4374775500000005,"spacegroup":194},{"id":"jvasp-117258","created_at":"2022-09-04T14:38:46.994381Z","updated_at":"2022-09-04T14:38:46.994408Z","structure_string":"Li4 Ti2 Cr6 O16\n1.0\n5.062906 -0.016409 2.910565\n-1.688528 9.578580 2.885704\n-0.019262 0.001965 5.840013\nLi Ti Cr O\n4 2 6 16\ndirect\n0.186847 0.062283 0.124564 Li\n0.686834 0.562282 0.124582 Li\n0.313159 0.437718 0.875435 Li\n0.813162 0.937718 0.875413 Li\n0.750006 0.249999 0.500000 Ti\n0.249996 0.750001 0.499996 Ti\n0.999996 0.499999 0.500005 Cr\n0.500006 0.000001 0.499991 Cr\n0.750004 0.250001 0.000000 Cr\n0.250005 0.250001 0.500000 Cr\n0.249997 0.749999 -0.000002 Cr\n0.749996 0.749999 0.499997 Cr\n0.392102 0.130696 0.714761 O\n0.154528 0.869292 0.738589 O\n0.654523 0.369288 0.738599 O\n0.607903 0.869305 0.285225 O\n0.107905 0.369304 0.285239 O\n0.892092 0.630695 0.714769 O\n0.345467 0.630709 0.261405 O\n0.894681 0.631565 0.263154 O\n0.118798 0.857378 0.261384 O\n0.618806 0.357378 0.261387 O\n0.605315 0.868433 0.736843 O\n0.105319 0.368434 0.736851 O\n0.881205 0.142622 0.738613 O\n0.394688 0.131569 0.263146 O\n0.845483 0.130711 0.261402 O\n0.381194 0.642622 0.738611 O\n","nsites":28,"nelements":4,"elements":["Li","Ti","Cr","O"],"chemical_system":"Cr-Li-O-Ti","density":4.04936464623659,"density_atomic":0.09874738838635132,"volume":283.5518028127426,"volume_molar":6.098531676036072,"formula_full":"Li4 Ti2 Cr6 O16","formula_reduced":"Li2TiCr3O8","formula_anonymous":"AB2C3D8","energy_above_hull":3.2554891809523814,"spacegroup":166}]}