{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=495","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=493","results":[{"id":"jvasp-47621","created_at":"2022-09-04T14:38:05.892777Z","updated_at":"2022-09-04T14:38:05.892800Z","structure_string":"Li7 Fe3 Si2 O12\n1.0\n-4.175036 -2.410458 0.000049\n-4.175052 2.410486 0.000025\n1.391758 0.803532 -9.430681\nLi Fe Si O\n7 3 2 12\ndirect\n0.659595 0.666667 0.002044 Li\n0.825033 0.341003 0.498006 Li\n0.416667 0.666667 0.250000 Li\n0.333964 0.341004 0.001993 Li\n0.173737 0.666667 0.497955 Li\n0.499369 0.992330 0.498006 Li\n0.008299 0.992330 0.001993 Li\n0.916667 0.666667 0.749999 Fe\n0.583137 0.333726 0.750000 Fe\n0.250197 -0.000393 0.750000 Fe\n0.083333 0.333332 0.250000 Si\n0.750001 0.000001 0.250000 Si\n0.212114 0.332843 0.636341 O\n0.821074 0.666667 0.355977 O\n0.750399 0.297640 0.144038 O\n0.955044 0.332843 0.863658 O\n0.545078 0.666667 0.633812 O\n0.878291 0.000489 0.636342 O\n0.451962 0.297640 0.355961 O\n0.288255 0.666667 0.866187 O\n0.012258 0.666667 0.144022 O\n0.621219 0.000489 0.863658 O\n0.381373 0.035694 0.144038 O\n0.082935 0.035694 0.355961 O\n","nsites":24,"nelements":4,"elements":["Li","Fe","Si","O"],"chemical_system":"Fe-Li-O-Si","density":4.061617789038472,"density_atomic":0.12643746957944813,"volume":189.81714898145273,"volume_molar":4.762939957617497,"formula_full":"Li7 Fe3 Si2 O12","formula_reduced":"Li7Fe3(SiO6)2","formula_anonymous":"A2B3C7D12","energy_above_hull":2.5844902375,"spacegroup":12},{"id":"jvasp-32414","created_at":"2022-09-04T14:38:06.006231Z","updated_at":"2022-09-04T14:38:06.006261Z","structure_string":"Si2 C2 Cl6 F6\n1.0\n6.082369 0.000704 0.225776\n0.210028 7.214111 1.662867\n-0.002320 0.090601 7.405702\nSi C Cl F\n2 2 6 6\ndirect\n0.677121 0.810614 0.810615 Si\n0.322880 0.189385 0.189386 Si\n0.249817 0.353217 0.353217 C\n0.750183 0.646782 0.646784 C\n0.344213 0.832378 0.832379 Cl\n0.191266 0.307303 0.940023 Cl\n0.808735 0.692696 0.059977 Cl\n0.808735 0.059976 0.692697 Cl\n0.655787 0.167621 0.167622 Cl\n0.191266 0.940023 0.307304 Cl\n0.669023 0.473622 0.713946 F\n0.669023 0.713945 0.473623 F\n0.026346 0.374774 0.374774 F\n0.330978 0.286054 0.526378 F\n0.973655 0.625226 0.625227 F\n0.330978 0.526377 0.286055 F\n","nsites":16,"nelements":4,"elements":["Si","C","Cl","F"],"chemical_system":"C-Cl-F-Si","density":2.0851289237031065,"density_atomic":0.049375923736166595,"volume":324.04457049743075,"volume_molar":12.196512600307946,"formula_full":"Si2 C2 Cl6 F6","formula_reduced":"SiC(ClF)3","formula_anonymous":"ABC3D3","energy_above_hull":1.14120895625,"spacegroup":12},{"id":"jvasp-46407","created_at":"2022-09-04T14:38:06.023116Z","updated_at":"2022-09-04T14:38:06.023146Z","structure_string":"Na4 Mn2 O6\n1.0\n-5.222478 -0.000708 0.001383\n2.607448 4.521512 -0.005668\n-0.893624 -1.552844 -5.324078\nNa Mn O\n4 2 6\ndirect\n0.499354 0.996581 0.500467 Na\n0.184970 0.339353 0.500400 Na\n0.813720 0.653761 0.500408 Na\n0.499339 0.496507 0.000425 Na\n0.834084 0.163883 0.000432 Mn\n0.164594 0.829130 0.000428 Mn\n0.123118 0.564453 0.200779 O\n0.875564 0.428566 0.800080 O\n0.499348 0.803188 0.799673 O\n0.875546 0.940668 0.200779 O\n0.123131 0.052349 0.800080 O\n0.499331 0.189828 0.201179 O\n","nsites":12,"nelements":3,"elements":["Na","Mn","O"],"chemical_system":"Mn-Na-O","density":3.932695708613457,"density_atomic":0.09542271436456702,"volume":125.75622146057835,"volume_molar":6.311013892344464,"formula_full":"Na4 Mn2 O6","formula_reduced":"Na2MnO3","formula_anonymous":"AB2C3","energy_above_hull":1.5402059568965516,"spacegroup":12},{"id":"jvasp-10795","created_at":"2022-09-04T14:38:06.183775Z","updated_at":"2022-09-04T14:38:06.183802Z","structure_string":"Rb4 Ge2 S6\n1.0\n6.317179 -0.000000 2.735971\n2.760807 6.626100 2.286440\n-0.019765 0.005227 8.706596\nRb Ge S\n4 2 6\ndirect\n0.082266 0.199012 0.636455 Rb\n0.917735 0.800988 0.363545 Rb\n0.693745 0.428875 0.183635 Rb\n0.306256 0.571125 0.816364 Rb\n0.379646 0.053798 0.186911 Ge\n0.620355 0.946203 0.813089 Ge\n0.612793 0.181634 0.592781 S\n0.387208 0.818366 0.407219 S\n0.797740 0.630558 0.773965 S\n0.747091 0.000000 -0.000000 S\n0.252909 0.000000 -0.000000 S\n0.202261 0.369443 0.226035 S\n","nsites":12,"nelements":3,"elements":["Rb","Ge","S"],"chemical_system":"Ge-Rb-S","density":3.0935092845203997,"density_atomic":0.032897869963181114,"volume":364.7652572470573,"volume_molar":18.305564362494913,"formula_full":"Rb4 Ge2 S6","formula_reduced":"Rb2GeS3","formula_anonymous":"AB2C3","energy_above_hull":0.6779659916666667,"spacegroup":12},{"id":"jvasp-46664","created_at":"2022-09-04T14:38:06.552151Z","updated_at":"2022-09-04T14:38:06.552163Z","structure_string":"Ca5 Mn1 O6\n1.0\n0.000000 2.378459 2.378459\n-4.755296 2.369114 -2.369114\n-7.125160 -4.735131 2.356672\nCa Mn O\n5 1 6\ndirect\n0.835118 0.495266 0.670236 Ca\n0.335400 0.999461 0.670798 Ca\n0.164882 0.504734 0.329764 Ca\n0.500000 0.500000 0.000000 Ca\n0.664601 0.000539 0.329203 Ca\n0.000000 0.000000 0.000000 Mn\n0.917957 0.753114 0.835913 O\n0.421122 0.237769 0.842243 O\n0.251029 0.745767 0.502058 O\n0.578879 0.762230 0.157758 O\n0.748972 0.254233 0.497943 O\n0.082044 0.246885 0.164088 O\n","nsites":12,"nelements":3,"elements":["Ca","Mn","O"],"chemical_system":"Ca-Mn-O","density":3.6346227342768636,"density_atomic":0.07476238002012793,"volume":160.50853379425985,"volume_molar":8.055041530752082,"formula_full":"Ca5 Mn1 O6","formula_reduced":"Ca5MnO6","formula_anonymous":"AB5C6","energy_above_hull":1.4350508617816091,"spacegroup":12},{"id":"jvasp-12486","created_at":"2022-09-04T14:38:06.183432Z","updated_at":"2022-09-04T14:38:06.183446Z","structure_string":"Pb5 S2 I6\n1.0\n4.467326 0.000000 -0.000000\n-2.233664 7.180958 -1.013703\n-0.000000 0.005899 14.766325\nPb S I\n5 2 6\ndirect\n0.784663 0.569325 0.238771 Pb\n0.873377 0.746751 0.536624 Pb\n0.126625 0.253250 0.463377 Pb\n0.215338 0.430676 0.761229 Pb\n0.000000 0.000000 0.000000 Pb\n0.719415 0.438829 0.404414 S\n0.280587 0.561171 0.595587 S\n0.362792 0.725583 0.064643 I\n0.572147 0.144292 0.644723 I\n0.119546 0.239092 0.203007 I\n0.637209 0.274417 0.935358 I\n0.427855 0.855709 0.355278 I\n0.880456 0.760909 0.796993 I\n","nsites":13,"nelements":3,"elements":["Pb","S","I"],"chemical_system":"I-Pb-S","density":6.525269418155146,"density_atomic":0.027442040813249798,"volume":473.72570023010934,"volume_molar":21.944944987809865,"formula_full":"Pb5 S2 I6","formula_reduced":"Pb5(SI3)2","formula_anonymous":"A2B5C6","energy_above_hull":0.244312442307692,"spacegroup":12},{"id":"jvasp-36795","created_at":"2022-09-04T14:38:06.306238Z","updated_at":"2022-09-04T14:38:06.306265Z","structure_string":"Ba2 Au2 O4\n1.0\n-2.116907 3.269321 -0.008862\n-5.029605 -3.275732 -1.994783\n-0.005362 0.000051 6.325067\nBa Au O\n2 2 4\ndirect\n0.000001 0.500000 0.000000 Ba\n-0.000000 -0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Au\n0.500000 0.500000 0.500001 Au\n0.726771 0.752787 0.752788 O\n0.500000 0.301227 0.698774 O\n0.500001 0.698774 0.301227 O\n0.273230 0.247213 0.247214 O\n","nsites":8,"nelements":3,"elements":["Ba","Au","O"],"chemical_system":"Au-Ba-O","density":8.22499085664155,"density_atomic":0.05409018248537481,"volume":147.90114642639784,"volume_molar":11.133519029314234,"formula_full":"Ba2 Au2 O4","formula_reduced":"BaAuO2","formula_anonymous":"ABC2","energy_above_hull":0.840945135,"spacegroup":12},{"id":"jvasp-9459","created_at":"2022-09-04T14:38:06.315525Z","updated_at":"2022-09-04T14:38:06.315553Z","structure_string":"Ca2 Ti3 O8\n1.0\n4.845335 -0.011687 -1.535062\n-0.894743 5.317786 -2.864692\n-0.040130 -0.082863 6.366546\nCa Ti O\n2 3 8\ndirect\n0.661873 0.725511 0.451020 Ca\n0.338126 0.274491 0.548981 Ca\n0.500000 1.000000 0.000001 Ti\n0.999998 0.733976 0.000000 Ti\n0.999998 0.266024 -0.000000 Ti\n0.047898 0.395640 0.791280 O\n0.952102 0.604360 0.208722 O\n0.093983 0.899987 0.799974 O\n0.906017 0.100013 0.200027 O\n0.394094 0.324806 0.208577 O\n0.394095 0.883770 0.208578 O\n0.605906 0.116230 0.791424 O\n0.605906 0.675194 0.791424 O\n","nsites":13,"nelements":3,"elements":["Ca","Ti","O"],"chemical_system":"Ca-O-Ti","density":3.5970223210514556,"density_atomic":0.08005723109687873,"volume":162.3838324394265,"volume_molar":7.5222945853729275,"formula_full":"Ca2 Ti3 O8","formula_reduced":"Ca2Ti3O8","formula_anonymous":"A2B3C8","energy_above_hull":2.566391833846154,"spacegroup":12},{"id":"jvasp-29474","created_at":"2022-09-04T14:38:06.330243Z","updated_at":"2022-09-04T14:38:06.330265Z","structure_string":"Cd2 Sb2 S4 Br2\n1.0\n3.980238 0.000000 -0.000000\n-1.990120 6.522275 -0.144115\n-0.000000 -0.028201 9.662690\nCd Sb S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.283842 0.567684 0.689244 Sb\n0.716158 0.432317 0.310756 Sb\n0.915266 0.830532 0.741328 S\n0.353781 0.707562 0.447565 S\n0.646220 0.292439 0.552434 S\n0.084735 0.169469 0.258672 S\n0.362853 0.725707 0.075578 Br\n0.637147 0.274294 0.924422 Br\n","nsites":10,"nelements":4,"elements":["Cd","Sb","S","Br"],"chemical_system":"Br-Cd-S-Sb","density":5.007583183393937,"density_atomic":0.03986775797283032,"volume":250.82925422630865,"volume_molar":15.105290756766555,"formula_full":"Cd2 Sb2 S4 Br2","formula_reduced":"CdSbS2Br","formula_anonymous":"ABCD2","energy_above_hull":0.6117079910000002,"spacegroup":12},{"id":"jvasp-44676","created_at":"2022-09-04T14:38:06.358217Z","updated_at":"2022-09-04T14:38:06.358245Z","structure_string":"Mn4 Cr1 O8\n1.0\n-0.039612 3.013895 -4.931153\n1.622710 -2.540068 -4.931153\n-5.077339 1.506085 -2.506374\nMn Cr O\n4 1 8\ndirect\n0.000000 0.499999 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.499999 0.500000 -0.000000 Cr\n0.468291 0.267480 0.799189 O\n0.977294 0.278239 0.776012 O\n0.502225 0.753307 0.776012 O\n0.973097 0.752670 0.779573 O\n0.026902 0.247329 0.220426 O\n0.497774 0.246692 0.223987 O\n0.022705 0.721761 0.223988 O\n0.531708 0.732519 0.200810 O\n","nsites":13,"nelements":3,"elements":["Mn","Cr","O"],"chemical_system":"Cr-Mn-O","density":4.785263620872985,"density_atomic":0.09371707686422313,"volume":138.71538075002425,"volume_molar":6.425873449643388,"formula_full":"Mn4 Cr1 O8","formula_reduced":"Mn4CrO8","formula_anonymous":"AB4C8","energy_above_hull":3.744136489655172,"spacegroup":12},{"id":"jvasp-46972","created_at":"2022-09-04T14:38:07.153996Z","updated_at":"2022-09-04T14:38:07.154007Z","structure_string":"Na1 Mn3 O4\n1.0\n3.184182 -0.043775 -0.059516\n-0.264349 5.316506 0.059810\n-0.264371 -1.527656 5.092649\nNa Mn O\n1 3 4\ndirect\n0.000169 0.999937 0.999848 Na\n0.500163 -0.000057 0.499857 Mn\n0.000201 0.499923 0.499840 Mn\n0.500149 0.499946 0.999855 Mn\n0.000228 0.731072 0.268663 O\n0.453797 0.729653 0.729564 O\n0.546578 0.270210 0.270121 O\n0.000228 0.268753 0.730982 O\n","nsites":8,"nelements":3,"elements":["Na","Mn","O"],"chemical_system":"Mn-Na-O","density":4.8429523542998005,"density_atomic":0.09266010023264845,"volume":86.33705316434818,"volume_molar":6.499173586991351,"formula_full":"Na1 Mn3 O4","formula_reduced":"NaMn3O4","formula_anonymous":"AB3C4","energy_above_hull":2.9532905905172413,"spacegroup":12},{"id":"jvasp-45994","created_at":"2022-09-04T14:38:07.268846Z","updated_at":"2022-09-04T14:38:07.268876Z","structure_string":"Ba1 Y2 F8\n1.0\n3.508023 5.281866 -0.005785\n-3.508023 5.281866 0.005785\n-0.727178 0.000000 4.225435\nBa Y F\n1 2 8\ndirect\n0.003071 0.996930 0.999980 Ba\n0.327157 0.320996 0.499997 Y\n0.679005 0.672843 0.499997 Y\n0.051029 0.669648 0.564137 F\n0.330353 0.948972 0.564137 F\n0.394585 0.605415 0.220625 F\n0.744070 0.737843 -0.000001 F\n0.262158 0.255931 -0.000001 F\n0.611533 0.388468 0.779346 F\n0.675843 0.044862 0.435888 F\n0.955138 0.324158 0.435888 F\n","nsites":11,"nelements":3,"elements":["Ba","Y","F"],"chemical_system":"Ba-F-Y","density":4.9551306105077915,"density_atomic":0.07026915363755694,"volume":156.54094905905913,"volume_molar":8.570105726705851,"formula_full":"Ba1 Y2 F8","formula_reduced":"BaY2F8","formula_anonymous":"AB2C8","energy_above_hull":0.2791251179545455,"spacegroup":12}]}