{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=3408","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=3406","results":[{"id":"jvasp-122004","created_at":"2022-09-04T14:38:54.672926Z","updated_at":"2022-09-04T14:38:54.672942Z","structure_string":"Li3 Mn2 Co1 O6\n1.0\n2.889975 0.008588 -0.687491\n-0.813750 5.699144 -1.339327\n0.028266 0.014701 6.390171\nLi Mn Co O\n3 2 1 6\ndirect\n-0.000000 0.500000 -0.000000 Li\n0.659373 0.834499 0.328896 Li\n0.340627 0.165500 0.671103 Li\n0.678469 0.323949 0.332505 Mn\n0.321531 0.676051 0.667494 Mn\n0.000000 0.000000 0.000000 Co\n0.466903 0.773950 0.987119 O\n0.199933 0.083147 0.321280 O\n0.857892 0.421933 0.657446 O\n0.533096 0.226050 0.012881 O\n0.142107 0.578067 0.342553 O\n0.800067 0.916852 0.678719 O\n","nsites":12,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.497042691438435,"density_atomic":0.11377774932204893,"volume":105.46877637765442,"volume_molar":5.292898476093316,"formula_full":"Li3 Mn2 Co1 O6","formula_reduced":"Li3Mn2CoO6","formula_anonymous":"AB2C3D6","energy_above_hull":2.720763031896552,"spacegroup":2},{"id":"jvasp-122003","created_at":"2022-09-04T14:38:54.393111Z","updated_at":"2022-09-04T14:38:54.393148Z","structure_string":"Li4 Co2 O6\n1.0\n2.822802 -0.000000 0.000000\n-1.411401 2.444618 0.000000\n-0.000000 -0.000000 14.642146\nLi Co O\n4 2 6\ndirect\n0.333333 0.666667 0.337345 Li\n0.666666 0.333334 0.662655 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.840326 Co\n0.666666 0.333334 0.159674 Co\n0.333333 0.666667 0.590546 O\n0.666666 0.333334 0.911461 O\n0.000000 0.000000 0.226019 O\n0.333333 0.666667 0.088539 O\n0.666666 0.333334 0.409454 O\n0.000000 0.000000 0.773982 O\n","nsites":12,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":3.9709829939950505,"density_atomic":0.11876407522693257,"volume":101.04065540922694,"volume_molar":5.070675411308501,"formula_full":"Li4 Co2 O6","formula_reduced":"Li2CoO3","formula_anonymous":"AB2C3","energy_above_hull":1.9356569,"spacegroup":164},{"id":"jvasp-122002","created_at":"2022-09-04T14:38:54.098552Z","updated_at":"2022-09-04T14:38:54.098569Z","structure_string":"Nb6 Ni2 S12\n1.0\n5.820392 0.000000 0.000000\n-2.910196 5.040608 0.000000\n0.000000 0.000000 11.835370\nNb Ni S\n6 2 12\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.333333 0.666667 0.502317 Nb\n0.666666 0.333333 0.002317 Nb\n0.666666 0.333333 0.497683 Nb\n0.333333 0.666667 0.997683 Nb\n0.333333 0.666667 0.250000 Ni\n0.666666 0.333333 0.750000 Ni\n0.668436 0.000987 0.366533 S\n0.331563 0.332552 0.633467 S\n-0.000987 0.667449 0.366533 S\n0.331563 -0.000987 0.866533 S\n0.000987 0.668437 0.633467 S\n-0.000987 0.331564 0.133467 S\n0.000987 0.332552 0.866533 S\n0.667448 -0.000987 0.633467 S\n0.667448 0.668437 0.866533 S\n0.332551 0.000987 0.133467 S\n0.668436 0.667449 0.133467 S\n0.332551 0.331564 0.366533 S\n","nsites":20,"nelements":3,"elements":["Nb","Ni","S"],"chemical_system":"Nb-Ni-S","density":5.067294324673723,"density_atomic":0.05759874179931257,"volume":347.2298070274635,"volume_molar":10.45533386993511,"formula_full":"Nb6 Ni2 S12","formula_reduced":"Nb3NiS6","formula_anonymous":"AB3C6","energy_above_hull":3.35195106,"spacegroup":182},{"id":"jvasp-122001","created_at":"2022-09-04T14:38:54.648384Z","updated_at":"2022-09-04T14:38:54.648415Z","structure_string":"Sm6 Ta2 O14\n1.0\n8.279102 -0.008111 0.000000\n-4.772944 6.764806 0.000000\n-0.000000 -0.000000 5.460428\nSm Ta O\n6 2 14\ndirect\n0.382023 0.617978 0.525860 Sm\n0.500000 0.000000 -0.000000 Sm\n0.882022 0.117978 0.474141 Sm\n0.617978 0.382022 0.474141 Sm\n0.000000 0.500000 -0.000000 Sm\n0.117979 0.882023 0.525860 Sm\n0.750001 0.750001 -0.000000 Ta\n0.250000 0.250000 -0.000000 Ta\n0.606692 0.839049 0.233248 O\n0.393309 0.160952 0.766752 O\n0.250001 0.750000 0.754502 O\n0.160952 0.393309 0.233248 O\n0.839049 0.606692 0.766752 O\n0.106692 0.339049 0.766752 O\n0.489292 0.510708 0.792660 O\n0.750000 0.250000 0.245499 O\n0.660952 0.893309 0.766752 O\n0.339049 0.106691 0.233248 O\n0.510708 0.489292 0.207340 O\n0.989292 0.010708 0.207340 O\n0.010709 0.989293 0.792660 O\n0.893309 0.660952 0.233248 O\n","nsites":22,"nelements":3,"elements":["Sm","Ta","O"],"chemical_system":"O-Sm-Ta","density":8.0853884059076,"density_atomic":0.07198760368234744,"volume":305.60817244420605,"volume_molar":8.3655246902971,"formula_full":"Sm6 Ta2 O14","formula_reduced":"Sm3TaO7","formula_anonymous":"AB3C7","energy_above_hull":2.799101847727272,"spacegroup":67},{"id":"jvasp-122000","created_at":"2022-09-04T14:38:50.938987Z","updated_at":"2022-09-04T14:38:50.939016Z","structure_string":"Mg2 Ti2 Si4 O12\n1.0\n6.485285 0.129100 1.095134\n0.353517 6.476930 1.095134\n-0.189773 -0.183314 4.875072\nMg Ti Si O\n2 2 4 12\ndirect\n0.723855 0.276146 0.749999 Mg\n0.276146 0.723855 0.249999 Mg\n0.930123 0.069878 0.249999 Ti\n0.069879 0.930122 0.749999 Ti\n0.402130 0.209954 0.287907 Si\n0.790047 0.597871 0.212091 Si\n0.209954 0.402130 0.787907 Si\n0.597872 0.790047 0.712090 Si\n0.760455 0.966568 0.648059 O\n0.033433 0.239546 0.851939 O\n0.146545 0.623686 0.631320 O\n0.376315 0.853456 0.868677 O\n0.853456 0.376314 0.368677 O\n0.700630 0.582354 0.906892 O\n0.299371 0.417646 0.093105 O\n0.582355 0.700630 0.406893 O\n0.239546 0.033432 0.351939 O\n0.417647 0.299371 0.593105 O\n0.623686 0.146545 0.131321 O\n0.966569 0.760454 0.148059 O\n","nsites":20,"nelements":4,"elements":["Mg","Ti","Si","O"],"chemical_system":"Mg-O-Si-Ti","density":3.5974642143710613,"density_atomic":0.09656991097191182,"volume":207.10384630899338,"volume_molar":6.236042572050823,"formula_full":"Mg2 Ti2 Si4 O12","formula_reduced":"MgTi(SiO3)2","formula_anonymous":"ABC2D6","energy_above_hull":2.5557875583333334,"spacegroup":15},{"id":"jvasp-122","created_at":"2022-09-04T14:37:33.940382Z","updated_at":"2022-09-04T14:37:33.940398Z","structure_string":"Sn1 Se2\n1.0\n1.943608 -3.366429 -0.000000\n1.943608 3.366429 0.000000\n0.000000 0.000000 6.141915\nSn Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.666667 0.333333 0.260183 Se\n0.333333 0.666667 0.739817 Se\n","nsites":3,"nelements":2,"elements":["Sn","Se"],"chemical_system":"Se-Sn","density":5.715265884875712,"density_atomic":0.0373258167784857,"volume":80.3733249242432,"volume_molar":16.133982534766965,"formula_full":"Sn1 Se2","formula_reduced":"SnSe2","formula_anonymous":"AB2","energy_above_hull":0.8348061444444446,"spacegroup":164},{"id":"jvasp-121997","created_at":"2022-09-04T14:38:53.430335Z","updated_at":"2022-09-04T14:38:53.430352Z","structure_string":"K4 Ca1 W3 O12\n1.0\n6.636020 -0.000000 -2.346187\n-3.318010 5.746962 -2.346187\n-0.000000 -0.000000 7.038562\nK Ca W O\n4 1 3 12\ndirect\n-0.000000 0.500000 -0.000000 K\n0.500000 0.000000 -0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 W\n-0.000000 0.500000 0.500000 W\n0.500000 0.500000 -0.000000 W\n-0.000000 0.273593 0.273593 O\n0.273593 0.273593 -0.000000 O\n0.273593 0.000000 0.273593 O\n0.726407 0.726407 -0.000001 O\n0.750000 0.250000 0.499999 O\n0.750000 0.500000 0.249999 O\n0.500000 0.750000 0.249999 O\n0.250000 0.500000 0.749999 O\n-0.000000 0.726407 0.726407 O\n0.250000 0.750000 0.499999 O\n0.500000 0.250000 0.749999 O\n0.726407 0.000000 0.726407 O\n","nsites":20,"nelements":4,"elements":["K","Ca","W","O"],"chemical_system":"Ca-K-O-W","density":5.814864599022179,"density_atomic":0.07450750891026649,"volume":268.42932064856853,"volume_molar":8.082595765284271,"formula_full":"K4 Ca1 W3 O12","formula_reduced":"K4Ca(WO4)3","formula_anonymous":"AB3C4D12","energy_above_hull":2.9441107210000004,"spacegroup":229},{"id":"jvasp-121995","created_at":"2022-09-04T14:38:50.880621Z","updated_at":"2022-09-04T14:38:50.880645Z","structure_string":"Nb8 B8 Os4\n1.0\n5.941985 0.000000 0.000000\n0.000000 5.941985 0.000000\n0.000000 0.000000 6.912102\nNb B Os\n8 8 4\ndirect\n0.664514 0.812938 0.500000 Nb\n0.335485 0.187061 0.500000 Nb\n0.835485 0.312939 -0.000000 Nb\n0.164515 0.687060 -0.000000 Nb\n0.812938 0.335485 0.500000 Nb\n0.187061 0.664514 0.500000 Nb\n0.312939 0.164515 -0.000000 Nb\n0.687060 0.835485 -0.000000 Nb\n0.612797 0.112798 0.750000 B\n0.387202 0.887201 0.750000 B\n0.112798 0.387202 0.250000 B\n0.887201 0.612797 0.250000 B\n0.612797 0.112798 0.250000 B\n0.112798 0.387202 0.750000 B\n0.387202 0.887201 0.250000 B\n0.887201 0.612797 0.750000 B\n0.500000 0.500000 0.779289 Os\n0.500000 0.500000 0.220711 Os\n0.000000 0.000000 0.720710 Os\n0.000000 0.000000 0.279289 Os\n","nsites":20,"nelements":3,"elements":["Nb","B","Os"],"chemical_system":"B-Nb-Os","density":10.823131993253403,"density_atomic":0.08195147132217051,"volume":244.04686916938067,"volume_molar":7.348422990876575,"formula_full":"Nb8 B8 Os4","formula_reduced":"Nb2B2Os","formula_anonymous":"AB2C2","energy_above_hull":5.405519793333333,"spacegroup":128},{"id":"jvasp-121994","created_at":"2022-09-04T14:38:53.390619Z","updated_at":"2022-09-04T14:38:53.390645Z","structure_string":"Er1 Al3 B4 O12\n1.0\n5.713598 -0.010657 -1.465674\n-1.886606 5.393147 -1.465674\n-0.007577 -0.010657 5.898588\nEr Al B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Er\n-0.000001 0.444698 0.555302 Al\n0.444698 0.555302 0.000001 Al\n0.555301 -0.000001 0.444699 Al\n0.500000 0.500000 0.500001 B\n0.500000 0.056254 0.943746 B\n0.056254 0.943746 0.500001 B\n0.943745 0.500000 0.056256 B\n0.369744 0.219256 0.971045 O\n0.780743 0.630255 0.028956 O\n0.028955 0.780743 0.630256 O\n0.630255 0.028955 0.780744 O\n0.091956 0.500000 0.908043 O\n0.648768 0.351231 0.500001 O\n0.500000 0.908043 0.091958 O\n0.351231 0.500000 0.648769 O\n0.971044 0.369744 0.219258 O\n0.500000 0.648768 0.351233 O\n0.908043 0.091956 0.500001 O\n0.219256 0.971045 0.369746 O\n","nsites":20,"nelements":4,"elements":["Er","Al","B","O"],"chemical_system":"Al-B-Er-O","density":4.423876944449614,"density_atomic":0.11021507016336186,"volume":181.46338763252433,"volume_molar":5.463990315547523,"formula_full":"Er1 Al3 B4 O12","formula_reduced":"ErAl3(BO3)4","formula_anonymous":"AB3C4D12","energy_above_hull":3.2132520366666664,"spacegroup":155},{"id":"jvasp-121991","created_at":"2022-09-04T14:38:54.257882Z","updated_at":"2022-09-04T14:38:54.257917Z","structure_string":"La10 Sn6\n1.0\n9.508665 -0.000000 0.000000\n-4.754332 8.234745 0.000000\n-0.000000 -0.000000 6.955023\nLa Sn\n10 6\ndirect\n0.666667 0.333334 -0.000000 La\n0.333334 0.666667 -0.000000 La\n0.333334 0.666667 0.500000 La\n0.666667 0.333334 0.500000 La\n0.753801 0.753801 0.750000 La\n0.246199 0.000000 0.750000 La\n0.000000 0.246200 0.750000 La\n0.246199 0.246200 0.250000 La\n0.753800 0.000000 0.250000 La\n0.000000 0.753801 0.250000 La\n0.391342 0.391342 0.750000 Sn\n0.608658 0.000000 0.750000 Sn\n0.000000 0.608658 0.750000 Sn\n0.608658 0.608658 0.250000 Sn\n0.391342 0.000000 0.250000 Sn\n0.000000 0.391342 0.250000 Sn\n","nsites":16,"nelements":2,"elements":["La","Sn"],"chemical_system":"La-Sn","density":6.4072537420808215,"density_atomic":0.029379994483020918,"volume":544.5882574704569,"volume_molar":20.497419642063832,"formula_full":"La10 Sn6","formula_reduced":"La5Sn3","formula_anonymous":"A3B5","energy_above_hull":1.4589162625,"spacegroup":193},{"id":"jvasp-121990","created_at":"2022-09-04T14:38:53.614461Z","updated_at":"2022-09-04T14:38:53.614491Z","structure_string":"Nb6 V2 Se12\n1.0\n6.052849 -0.000000 0.000000\n-3.026424 5.241921 0.000000\n-0.000000 -0.000000 12.685490\nNb V Se\n6 2 12\ndirect\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.333334 0.666667 0.999237 Nb\n0.666667 0.333333 0.000763 Nb\n0.666667 0.333333 0.499237 Nb\n0.333334 0.666667 0.500763 Nb\n0.333334 0.666667 0.250000 V\n0.666667 0.333333 0.750000 V\n0.668989 0.666916 0.133762 Se\n0.002072 0.333083 0.866238 Se\n0.331012 0.997928 0.866238 Se\n0.666917 0.668988 0.866238 Se\n0.666917 0.997928 0.633762 Se\n0.668989 0.002072 0.366238 Se\n0.331012 0.333083 0.633762 Se\n0.997929 0.666916 0.366238 Se\n0.997929 0.331011 0.133762 Se\n0.333084 0.331011 0.366238 Se\n0.002072 0.668988 0.633762 Se\n0.333084 0.002072 0.133762 Se\n","nsites":20,"nelements":3,"elements":["Nb","V","Se"],"chemical_system":"Nb-Se-V","density":6.629251861553122,"density_atomic":0.04969039363683913,"volume":402.49228344153295,"volume_molar":12.119325928493643,"formula_full":"Nb6 V2 Se12","formula_reduced":"Nb3VSe6","formula_anonymous":"AB3C6","energy_above_hull":3.40954726,"spacegroup":182},{"id":"jvasp-121989","created_at":"2022-09-04T14:38:54.250809Z","updated_at":"2022-09-04T14:38:54.250826Z","structure_string":"Co1 Mo4 O15\n1.0\n5.264158 -0.065159 1.196512\n0.045206 6.596842 0.107427\n-0.088819 0.058621 7.469793\nCo Mo O\n1 4 15\ndirect\n0.000000 0.000000 0.000000 Co\n0.550609 0.303089 0.813779 Mo\n0.449392 0.696910 0.186221 Mo\n0.880960 0.327663 0.384364 Mo\n0.119041 0.672336 0.615636 Mo\n0.048539 0.830452 0.803988 O\n0.951462 0.169548 0.196011 O\n0.665945 0.500847 0.308763 O\n0.334056 0.499152 0.691236 O\n0.164184 0.499429 0.351057 O\n0.835817 0.500570 0.648943 O\n0.500001 0.500000 -0.000000 O\n0.626047 0.190601 0.567130 O\n0.064041 0.141897 0.536045 O\n0.717968 0.848567 0.106654 O\n0.282033 0.151432 0.893345 O\n0.212223 0.833588 0.104214 O\n0.787778 0.166411 0.895786 O\n0.373954 0.809398 0.432869 O\n0.935960 0.858103 0.463954 O\n","nsites":20,"nelements":3,"elements":["Co","Mo","O"],"chemical_system":"Co-Mo-O","density":4.358484556005605,"density_atomic":0.07689472730688426,"volume":260.09585703036146,"volume_molar":7.831669310648361,"formula_full":"Co1 Mo4 O15","formula_reduced":"CoMo4O15","formula_anonymous":"AB4C15","energy_above_hull":3.92662685,"spacegroup":2}]}