{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume&page=35","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume&page=33","results":[{"id":"jvasp-29603","created_at":"2022-09-04T14:38:28.337533Z","updated_at":"2022-09-04T14:38:28.337548Z","structure_string":"Cd8 I16\n1.0\n4.287276 -0.000000 -0.000000\n-2.143638 3.712890 0.000000\n-0.000000 -0.000000 55.008032\nCd I\n8 16\ndirect\n0.666667 0.333333 0.906255 Cd\n0.666667 0.333333 0.781253 Cd\n0.000000 0.000000 0.281204 Cd\n0.666667 0.333333 0.531257 Cd\n0.666667 0.333333 0.406261 Cd\n0.000000 0.000000 0.156265 Cd\n0.666667 0.333333 0.031219 Cd\n0.666667 0.333333 0.656257 Cd\n0.000000 0.000000 0.874745 I\n0.000000 0.000000 0.749740 I\n0.333333 0.666667 0.937770 I\n0.333333 0.666667 0.312732 I\n0.000000 0.000000 0.624747 I\n0.333333 0.666667 0.187778 I\n0.333333 0.666667 0.437778 I\n0.666667 0.333333 0.124756 I\n0.333333 0.666667 0.062751 I\n0.000000 0.000000 0.374749 I\n0.333333 0.666667 0.687772 I\n0.333333 0.666667 0.562777 I\n-0.000000 -0.000000 -0.000286 I\n0.333333 0.666667 0.812772 I\n0.666667 0.333333 0.249704 I\n0.000000 0.000000 0.499745 I\n","nsites":24,"nelements":2,"elements":["Cd","I"],"chemical_system":"Cd-I","density":5.555989782267704,"density_atomic":0.027408900133756155,"volume":875.6279851755951,"volume_molar":21.971479083844276,"formula_full":"Cd8 I16","formula_reduced":"CdI2","formula_anonymous":"AB2","energy_above_hull":0.0001533333333333,"spacegroup":156},{"id":"jvasp-29676","created_at":"2022-09-04T14:36:44.097168Z","updated_at":"2022-09-04T14:36:44.097187Z","structure_string":"Cd8 I16\n1.0\n4.286692 0.000000 -0.000000\n-2.143346 3.712385 0.000000\n-0.000000 0.000000 55.017869\nCd I\n8 16\ndirect\n0.000000 -0.000000 0.781240 Cd\n0.000000 -0.000000 0.406228 Cd\n0.000000 -0.000000 0.906214 Cd\n0.666666 0.333333 0.031256 Cd\n0.666666 0.333333 0.531254 Cd\n0.000000 -0.000000 0.156226 Cd\n0.000000 -0.000000 0.656240 Cd\n0.666666 0.333333 0.281257 Cd\n-0.000000 0.000000 -0.000241 I\n0.666666 0.333333 0.374732 I\n0.333332 0.666666 0.937750 I\n0.333332 0.666666 0.312789 I\n0.666666 0.333333 0.749733 I\n0.666666 0.333333 0.874715 I\n0.333332 0.666666 0.187761 I\n0.000000 -0.000000 0.249759 I\n0.333332 0.666666 0.437762 I\n0.333332 0.666666 0.062789 I\n0.333332 0.666666 0.687761 I\n0.666666 0.333333 0.124730 I\n0.333332 0.666666 0.562786 I\n0.333332 0.666666 0.812762 I\n0.666666 0.333333 0.624738 I\n0.000000 -0.000000 0.499758 I\n","nsites":24,"nelements":2,"elements":["Cd","I"],"chemical_system":"Cd-I","density":5.556508934670269,"density_atomic":0.027411461224923293,"volume":875.546174028056,"volume_molar":21.969426257818373,"formula_full":"Cd8 I16","formula_reduced":"CdI2","formula_anonymous":"AB2","energy_above_hull":0.00016,"spacegroup":156},{"id":"jvasp-29541","created_at":"2022-09-04T14:37:58.870520Z","updated_at":"2022-09-04T14:37:58.870551Z","structure_string":"Cd8 I16\n1.0\n4.285919 -0.000000 0.000000\n-2.142960 3.711716 0.000000\n0.000000 -0.000000 55.037254\nCd I\n8 16\ndirect\n0.333333 0.666668 0.531250 Cd\n0.333333 0.666668 0.781235 Cd\n0.666667 0.333333 0.406268 Cd\n0.333333 0.666668 0.031250 Cd\n0.000000 0.000000 0.656232 Cd\n0.666667 0.333333 0.156272 Cd\n0.000000 0.000000 0.906228 Cd\n0.333333 0.666668 0.281264 Cd\n0.333333 0.666668 0.874731 I\n0.333333 0.666668 0.437764 I\n0.000000 0.000000 0.749736 I\n0.666667 0.333333 0.062756 I\n0.666667 0.333333 0.687752 I\n0.000000 0.000000 0.124751 I\n0.000000 0.000000 0.249746 I\n0.333333 0.666668 0.187769 I\n0.666667 0.333333 0.562762 I\n0.666667 0.333333 0.812754 I\n0.666667 0.333333 0.312764 I\n0.000000 0.000000 0.374748 I\n0.000000 0.000000 0.999744 I\n0.333333 0.666668 0.624735 I\n0.666667 0.333333 0.937749 I\n0.000000 0.000000 0.499738 I\n","nsites":24,"nelements":2,"elements":["Cd","I"],"chemical_system":"Cd-I","density":5.556554985065423,"density_atomic":0.027411688401489734,"volume":875.5389178689073,"volume_molar":21.969244184435997,"formula_full":"Cd8 I16","formula_reduced":"CdI2","formula_anonymous":"AB2","energy_above_hull":0.0001899999999999,"spacegroup":164},{"id":"jvasp-29605","created_at":"2022-09-04T14:38:30.677402Z","updated_at":"2022-09-04T14:38:30.677418Z","structure_string":"Cd8 I16\n1.0\n4.286489 -0.000000 -0.000000\n-2.143245 3.712209 -0.000000\n-0.000000 -0.000000 55.019231\nCd I\n8 16\ndirect\n0.000000 0.000000 0.781269 Cd\n0.000000 0.000000 0.406276 Cd\n0.000000 0.000000 0.906210 Cd\n0.666667 0.333333 0.031238 Cd\n0.666667 0.333333 0.281249 Cd\n0.000000 0.000000 0.156242 Cd\n0.666667 0.333333 0.656222 Cd\n0.000000 0.000000 0.531209 Cd\n0.666667 0.333333 0.374773 I\n0.000000 0.000000 0.624724 I\n0.333334 0.666667 0.937746 I\n0.333334 0.666667 0.312784 I\n0.666667 0.333333 0.749762 I\n0.666667 0.333333 0.874712 I\n0.333334 0.666667 0.187775 I\n0.000000 0.000000 0.249753 I\n0.333334 0.666667 0.437795 I\n0.333334 0.666667 0.062774 I\n-0.000000 -0.000000 -0.000260 I\n0.666667 0.333333 0.124744 I\n0.333334 0.666667 0.562743 I\n0.333334 0.666667 0.812789 I\n0.666667 0.333333 0.499710 I\n0.333334 0.666667 0.687758 I\n","nsites":24,"nelements":2,"elements":["Cd","I"],"chemical_system":"Cd-I","density":5.556897968909938,"density_atomic":0.027413380415030112,"volume":875.4848777001381,"volume_molar":21.96788819484007,"formula_full":"Cd8 I16","formula_reduced":"CdI2","formula_anonymous":"AB2","energy_above_hull":0.00016,"spacegroup":156},{"id":"jvasp-20775","created_at":"2022-09-04T14:37:41.987962Z","updated_at":"2022-09-04T14:37:41.987985Z","structure_string":"Mg24 P16\n1.0\n9.841071 0.000000 -3.479344\n-4.920535 8.522617 -3.479344\n-0.000000 0.000000 10.438031\nMg P\n24 16\ndirect\n0.525932 0.766449 0.533262 Mg\n0.025932 0.492671 0.759484 Mg\n0.233187 0.266449 0.740516 Mg\n0.266813 0.007329 0.033262 Mg\n0.233551 0.466739 0.474068 Mg\n0.759484 0.025932 0.492671 Mg\n0.266448 0.740517 0.233187 Mg\n0.033261 0.266813 0.007329 Mg\n0.492671 0.759484 0.025933 Mg\n0.740516 0.233187 0.266449 Mg\n0.007329 0.033261 0.266813 Mg\n0.474068 0.233552 0.466739 Mg\n0.466738 0.474068 0.233552 Mg\n0.766813 0.733552 0.259484 Mg\n0.974068 0.507329 0.240517 Mg\n0.992670 0.966739 0.733188 Mg\n0.259483 0.766813 0.733552 Mg\n0.966738 0.733187 0.992671 Mg\n0.507329 0.240516 0.974068 Mg\n0.240516 0.974068 0.507330 Mg\n0.533261 0.525932 0.766449 Mg\n0.766448 0.533262 0.525933 Mg\n0.733187 0.992671 0.966739 Mg\n0.733551 0.259484 0.766813 Mg\n0.773558 0.023558 0.750000 P\n0.976442 0.250000 0.226443 P\n0.476442 0.250000 0.726443 P\n0.726442 0.476443 0.250000 P\n0.750000 0.773558 0.023558 P\n0.750000 0.273558 0.523558 P\n0.226442 0.976443 0.250000 P\n0.500000 0.000000 0.000000 P\n0.273557 0.523558 0.750000 P\n0.250000 0.226442 0.976442 P\n-0.000000 0.500000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.500000 0.500000 0.500000 P\n0.023557 0.750000 0.773558 P\n0.523557 0.750000 0.273558 P\n0.250000 0.726443 0.476443 P\n","nsites":40,"nelements":2,"elements":["Mg","P"],"chemical_system":"Mg-P","density":2.0464279012186046,"density_atomic":0.04569051696151216,"volume":875.4551854533486,"volume_molar":13.180285889679926,"formula_full":"Mg24 P16","formula_reduced":"Mg3P2","formula_anonymous":"A2B3","energy_above_hull":0.56638163,"spacegroup":206},{"id":"jvasp-29682","created_at":"2022-09-04T14:37:51.000808Z","updated_at":"2022-09-04T14:37:51.000823Z","structure_string":"Cd8 I16\n1.0\n4.286986 -0.000000 0.000000\n-2.143493 3.712639 -0.000000\n0.000000 -0.000000 55.003051\nCd I\n8 16\ndirect\n0.666668 0.333333 0.906261 Cd\n0.666668 0.333333 0.781244 Cd\n0.666668 0.333333 0.531256 Cd\n0.666668 0.333333 0.281275 Cd\n0.000000 0.000000 0.156229 Cd\n0.666668 0.333333 0.031201 Cd\n0.666668 0.333333 0.656252 Cd\n0.666668 0.333333 0.406254 Cd\n0.000000 0.000000 0.874746 I\n0.000000 0.000000 0.749729 I\n0.333334 0.666667 0.937780 I\n0.333334 0.666667 0.312795 I\n0.000000 0.000000 0.624737 I\n0.333334 0.666667 0.187764 I\n0.333334 0.666667 0.437775 I\n0.000000 0.000000 0.249759 I\n0.333334 0.666667 0.062733 I\n0.000000 0.000000 0.374739 I\n0.333334 0.666667 0.687772 I\n0.333334 0.666667 0.562776 I\n0.000000 0.000000 0.999695 I\n0.333334 0.666667 0.812765 I\n0.666668 0.333333 0.124721 I\n0.000000 0.000000 0.499742 I\n","nsites":24,"nelements":2,"elements":["Cd","I"],"chemical_system":"Cd-I","density":5.557244485467495,"density_atomic":0.02741508985620855,"volume":875.4302876948203,"volume_molar":21.96651840860627,"formula_full":"Cd8 I16","formula_reduced":"CdI2","formula_anonymous":"AB2","energy_above_hull":0.00018,"spacegroup":156},{"id":"jvasp-88967","created_at":"2022-09-04T14:35:58.752948Z","updated_at":"2022-09-04T14:35:58.752975Z","structure_string":"Ho12 Al20 O48\n1.0\n9.840839 -0.000000 -3.479262\n-4.920419 8.522416 -3.479262\n-0.000000 -0.000000 10.437786\nHo Al O\n12 20 48\ndirect\n0.250000 0.375000 0.125000 Ho\n0.250000 0.875000 0.625001 Ho\n0.875000 0.625000 0.250000 Ho\n0.625000 0.875000 0.750001 Ho\n0.875000 0.750000 0.625001 Ho\n0.625000 0.250000 0.875001 Ho\n0.375000 0.750000 0.125000 Ho\n0.750000 0.125000 0.375000 Ho\n0.125000 0.375000 0.750000 Ho\n0.375000 0.125000 0.250000 Ho\n0.125000 0.250000 0.375000 Ho\n0.750000 0.625000 0.875001 Ho\n0.250000 0.125000 0.875000 Al\n0.750000 0.875000 0.125000 Al\n0.375000 0.250000 0.625000 Al\n0.625000 0.375000 0.250000 Al\n0.125000 0.750000 0.875001 Al\n0.875000 0.125000 0.750000 Al\n0.750000 0.375000 0.625001 Al\n0.125000 0.875000 0.250000 Al\n0.875000 0.250000 0.125000 Al\n0.375000 0.625000 0.750001 Al\n0.000000 0.000000 0.000000 Al\n0.625000 0.750000 0.375001 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.250000 0.625000 0.375000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.679344 0.097468 0.978674 O\n0.200669 0.118794 0.021326 O\n0.118794 0.021326 0.200669 O\n0.179344 0.478674 0.597468 O\n0.299331 0.320656 0.918125 O\n0.381206 0.581876 0.902533 O\n0.597468 0.179344 0.478674 O\n0.320656 0.918125 0.299332 O\n0.978674 0.679344 0.097468 O\n0.918124 0.118794 0.597468 O\n0.097468 0.618794 0.418125 O\n0.679344 0.081876 0.700669 O\n0.402532 0.820657 0.521327 O\n0.618794 0.418124 0.097468 O\n0.700669 0.679344 0.081876 O\n0.820656 0.521326 0.402533 O\n0.881206 0.978674 0.799332 O\n0.418124 0.820657 0.799332 O\n0.799331 0.881206 0.978675 O\n0.700669 0.521326 0.618795 O\n0.081876 0.700669 0.679344 O\n0.618794 0.700669 0.521327 O\n0.521326 0.402532 0.820657 O\n0.521326 0.618794 0.700670 O\n0.402532 0.081876 0.881206 O\n0.820656 0.799331 0.418125 O\n0.418124 0.097468 0.618794 O\n0.581876 0.179344 0.200669 O\n0.081876 0.881206 0.402533 O\n0.881206 0.402532 0.081876 O\n0.118794 0.597468 0.918125 O\n0.320656 0.902532 0.021327 O\n0.902532 0.021326 0.320657 O\n0.200669 0.581876 0.179344 O\n0.021326 0.200669 0.118794 O\n0.299331 0.478674 0.381206 O\n0.918124 0.299331 0.320657 O\n0.581876 0.902532 0.381206 O\n0.381206 0.299331 0.478674 O\n0.478674 0.381206 0.299331 O\n0.597468 0.918125 0.118795 O\n0.179344 0.200669 0.581876 O\n0.021326 0.320656 0.902533 O\n0.978674 0.799331 0.881207 O\n0.799331 0.418124 0.820657 O\n0.097468 0.978674 0.679344 O\n0.478674 0.597468 0.179344 O\n0.902532 0.381206 0.581876 O\n","nsites":80,"nelements":3,"elements":["Ho","Al","O"],"chemical_system":"Al-Ho-O","density":6.234686402710111,"density_atomic":0.09138748854566336,"volume":875.3933527785546,"volume_molar":6.589677488500991,"formula_full":"Ho12 Al20 O48","formula_reduced":"Ho3Al5O12","formula_anonymous":"A3B5C12","energy_above_hull":2.448982135,"spacegroup":230},{"id":"jvasp-29667","created_at":"2022-09-04T14:37:00.570742Z","updated_at":"2022-09-04T14:37:00.570769Z","structure_string":"Cd8 I16\n1.0\n4.286146 -0.000000 0.000000\n-2.143073 3.711912 0.000000\n0.000000 -0.000000 55.020655\nCd I\n8 16\ndirect\n0.000000 0.000000 0.781244 Cd\n0.000000 0.000000 0.406285 Cd\n0.000000 0.000000 0.906208 Cd\n0.666668 0.333333 0.031233 Cd\n0.000000 0.000000 0.156252 Cd\n0.000000 0.000000 0.656242 Cd\n0.666668 0.333333 0.281244 Cd\n0.000000 0.000000 0.531231 Cd\n0.666668 0.333333 0.374778 I\n0.333334 0.666667 0.937741 I\n0.333334 0.666667 0.312777 I\n0.666668 0.333333 0.624734 I\n0.666668 0.333333 0.499723 I\n0.333334 0.666667 0.187783 I\n0.666668 0.333333 0.749736 I\n0.000000 0.000000 0.249745 I\n0.666668 0.333333 0.874707 I\n0.333334 0.666667 0.062768 I\n-0.000000 -0.000000 -0.000267 I\n0.666668 0.333333 0.124750 I\n0.333334 0.666667 0.562752 I\n0.333334 0.666667 0.812765 I\n0.333334 0.666667 0.437802 I\n0.333334 0.666667 0.687763 I\n","nsites":24,"nelements":2,"elements":["Cd","I"],"chemical_system":"Cd-I","density":5.557643476874602,"density_atomic":0.02741705816717746,"volume":875.3674392656679,"volume_molar":21.96494139991085,"formula_full":"Cd8 I16","formula_reduced":"CdI2","formula_anonymous":"AB2","energy_above_hull":9.9999999999989e-05,"spacegroup":156},{"id":"jvasp-29672","created_at":"2022-09-04T14:37:04.844307Z","updated_at":"2022-09-04T14:37:04.844334Z","structure_string":"Cd8 I16\n1.0\n4.286347 -0.000000 0.000000\n-2.143173 3.712085 -0.000000\n0.000000 0.000000 55.013615\nCd I\n8 16\ndirect\n0.000000 0.000000 0.781250 Cd\n0.000000 0.000000 0.406222 Cd\n0.000000 0.000000 0.906212 Cd\n0.666667 0.333333 0.531279 Cd\n0.666667 0.333333 0.281260 Cd\n0.000000 0.000000 0.156223 Cd\n0.666667 0.333333 0.031258 Cd\n0.666667 0.333333 0.656213 Cd\n0.000000 0.000000 0.624712 I\n0.666667 0.333333 0.374723 I\n0.000000 0.000000 0.499772 I\n0.333333 0.666666 0.937752 I\n0.333333 0.666666 0.312793 I\n0.666667 0.333333 0.874710 I\n0.333333 0.666666 0.187761 I\n0.000000 0.000000 0.249758 I\n0.333333 0.666666 0.437759 I\n0.333333 0.666666 0.062794 I\n0.333333 0.666666 0.687750 I\n0.666667 0.333333 0.124723 I\n0.333333 0.666666 0.562802 I\n0.333333 0.666666 0.812774 I\n0.666667 0.333333 0.749740 I\n0.000000 0.000000 0.999756 I\n","nsites":24,"nelements":2,"elements":["Cd","I"],"chemical_system":"Cd-I","density":5.55783499843585,"density_atomic":0.027418002984492002,"volume":875.3372743293787,"volume_molar":21.964184493692724,"formula_full":"Cd8 I16","formula_reduced":"CdI2","formula_anonymous":"AB2","energy_above_hull":0.0001833333333333,"spacegroup":156},{"id":"jvasp-29670","created_at":"2022-09-04T14:37:05.602635Z","updated_at":"2022-09-04T14:37:05.602655Z","structure_string":"Cd8 I16\n1.0\n4.285999 -0.000000 -0.000000\n-2.142999 3.711785 -0.000000\n-0.000000 -0.000000 55.018033\nCd I\n8 16\ndirect\n0.333333 0.666666 0.656217 Cd\n0.000000 0.000000 0.781226 Cd\n0.333333 0.666666 0.906237 Cd\n0.666667 0.333333 0.031283 Cd\n0.333333 0.666666 0.406261 Cd\n0.333333 0.666666 0.531267 Cd\n0.666667 0.333333 0.281276 Cd\n0.333333 0.666666 0.156255 Cd\n0.666667 0.333333 0.937751 I\n0.000000 0.000000 0.374730 I\n0.666667 0.333333 0.562782 I\n0.000000 0.000000 0.874721 I\n0.666667 0.333333 0.812758 I\n0.666667 0.333333 0.687744 I\n0.000000 0.000000 0.124726 I\n0.000000 0.000000 0.249743 I\n0.333333 0.666666 0.312780 I\n0.666667 0.333333 0.437770 I\n-0.000000 -0.000000 -0.000250 I\n0.666667 0.333333 0.187762 I\n0.000000 0.000000 0.624707 I\n0.333333 0.666666 0.749719 I\n0.333333 0.666666 0.062787 I\n0.000000 0.000000 0.499748 I\n","nsites":24,"nelements":2,"elements":["Cd","I"],"chemical_system":"Cd-I","density":5.558289133914846,"density_atomic":0.027420243333102924,"volume":875.2657556115173,"volume_molar":21.96238992791799,"formula_full":"Cd8 I16","formula_reduced":"CdI2","formula_anonymous":"AB2","energy_above_hull":9.9999999999989e-05,"spacegroup":156},{"id":"jvasp-22796","created_at":"2022-09-04T14:37:47.861525Z","updated_at":"2022-09-04T14:37:47.861545Z","structure_string":"Tl12 P4 S16\n1.0\n8.865865 -0.000000 0.000000\n0.000000 9.083428 0.000000\n0.000000 0.000000 10.867916\nTl P S\n12 4 16\ndirect\n0.381179 0.607789 0.750000 Tl\n0.881179 0.892211 0.750000 Tl\n0.118820 0.107789 0.250000 Tl\n0.618820 0.392211 0.250000 Tl\n0.441674 0.802946 0.451561 Tl\n0.941674 0.697054 0.048439 Tl\n0.058325 0.302946 0.548439 Tl\n0.558325 0.197054 0.951562 Tl\n0.558325 0.197054 0.548439 Tl\n0.058325 0.302946 0.951562 Tl\n0.941674 0.697054 0.451561 Tl\n0.441674 0.802946 0.048439 Tl\n0.222766 0.526352 0.250000 P\n0.722765 0.973649 0.250000 P\n0.277234 0.026352 0.750000 P\n0.777234 0.473648 0.750000 P\n0.660678 0.534657 0.594121 S\n0.160678 0.965343 0.905880 S\n0.160678 0.965343 0.594121 S\n0.660678 0.534657 0.905880 S\n0.339321 0.465343 0.405879 S\n0.839321 0.034657 0.094121 S\n0.509299 0.064300 0.250000 S\n0.009299 0.435700 0.250000 S\n0.490700 0.935700 0.750000 S\n0.698709 0.745319 0.250000 S\n0.198709 0.754682 0.250000 S\n0.801290 0.245319 0.750000 S\n0.301291 0.254681 0.750000 S\n0.339321 0.465343 0.094121 S\n0.990700 0.564300 0.750000 S\n0.839321 0.034657 0.405879 S\n","nsites":32,"nelements":3,"elements":["Tl","P","S"],"chemical_system":"P-S-Tl","density":5.861719094721927,"density_atomic":0.03656224152104779,"volume":875.2198625890745,"volume_molar":16.470928776435205,"formula_full":"Tl12 P4 S16","formula_reduced":"Tl3PS4","formula_anonymous":"AB3C4","energy_above_hull":1.1974704125,"spacegroup":62},{"id":"jvasp-97996","created_at":"2022-09-04T14:37:52.229230Z","updated_at":"2022-09-04T14:37:52.229243Z","structure_string":"K8 W4 Se16\n1.0\n7.142527 0.000000 0.000000\n-0.000000 9.744263 0.000000\n0.000000 0.000000 12.570350\nK W Se\n8 4 16\ndirect\n0.750000 0.552341 0.653081 K\n0.250000 0.447659 0.346919 K\n0.750000 0.052341 0.846919 K\n0.250000 0.947659 0.153081 K\n0.750000 0.839785 0.382396 K\n0.250000 0.160215 0.617604 K\n0.750000 0.339785 0.117604 K\n0.250000 0.660215 0.882396 K\n0.250000 0.249941 0.934667 W\n0.750000 0.250059 0.434667 W\n0.750000 0.750059 0.065333 W\n0.250000 0.749940 0.565333 W\n0.750000 0.484001 0.385823 Se\n0.750000 0.721370 0.880375 Se\n0.011490 0.640327 0.135996 Se\n0.250000 0.015999 0.885823 Se\n0.488510 0.140327 0.364004 Se\n0.988511 0.859673 0.635996 Se\n0.488510 0.640327 0.135996 Se\n0.511490 0.359673 0.864004 Se\n0.511490 0.859673 0.635996 Se\n0.011490 0.140327 0.364004 Se\n0.988511 0.359673 0.864004 Se\n0.750000 0.221370 0.619625 Se\n0.250000 0.278630 0.119625 Se\n0.250000 0.778629 0.380375 Se\n0.750000 0.984000 0.114177 Se\n0.250000 0.515999 0.614177 Se\n","nsites":28,"nelements":3,"elements":["K","W","Se"],"chemical_system":"K-Se-W","density":4.387285933835491,"density_atomic":0.03200440616550159,"volume":874.8795354991449,"volume_molar":18.816598967211668,"formula_full":"K8 W4 Se16","formula_reduced":"K2WSe4","formula_anonymous":"AB2C4","energy_above_hull":1.7743742095238093,"spacegroup":62}]}