{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=elements&page=4577","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=elements&page=4575","results":[{"id":"jvasp-100383","created_at":"2022-09-04T14:36:38.455539Z","updated_at":"2022-09-04T14:36:38.455563Z","structure_string":"In1 Ga1 Cu1 Ag1 Se4\n1.0\n5.389000 -0.007490 -4.642840\n-1.137192 5.267653 -4.642840\n0.006054 0.007490 7.113173\nIn Ga Cu Ag Se\n1 1 1 1 4\ndirect\n0.500000 0.500000 -0.000000 In\n0.750000 0.250000 0.499999 Ga\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.499999 Ag\n0.654332 0.626654 0.529964 Se\n0.096689 0.124367 0.470034 Se\n0.875632 0.345667 0.972321 Se\n0.373346 0.903311 0.027678 Se\n","nsites":8,"nelements":5,"elements":["In","Ga","Cu","Ag","Se"],"chemical_system":"Ag-Cu-Ga-In-Se","density":5.515959913567513,"density_atomic":0.0395571591312357,"volume":202.23899227593733,"volume_molar":15.223895983078092,"formula_full":"In1 Ga1 Cu1 Ag1 Se4","formula_reduced":"InGaCuAgSe4","formula_anonymous":"ABCDE4","energy_above_hull":0.5203579339583333,"spacegroup":82},{"id":"jvasp-98250","created_at":"2022-09-04T14:36:22.241073Z","updated_at":"2022-09-04T14:36:22.241100Z","structure_string":"In3 H24 C12 N3 O30\n1.0\n9.024378 0.000000 -0.000000\n-4.512189 7.815340 -0.000000\n0.000000 -0.000000 11.498846\nIn H C N O\n3 24 12 3 30\ndirect\n0.500000 0.000000 0.000000 In\n-0.000000 0.500000 0.666667 In\n0.500000 0.500000 0.333333 In\n0.640942 0.899801 0.487593 H\n0.103716 0.025672 0.385761 H\n0.896284 0.974328 0.385761 H\n0.078045 0.974328 0.614239 H\n0.103716 0.078045 0.947572 H\n0.741141 0.100199 0.512408 H\n0.078045 0.103716 0.719096 H\n0.359058 0.100199 0.487593 H\n0.359058 0.258859 0.845741 H\n0.974328 0.896284 0.280905 H\n0.741141 0.640942 0.820926 H\n0.640942 0.741141 0.845741 H\n0.899802 0.258859 0.154259 H\n0.100199 0.359058 0.179075 H\n0.921955 0.896284 0.719096 H\n0.100199 0.741141 0.154259 H\n0.025672 0.921955 0.052428 H\n0.974328 0.078045 0.052428 H\n0.025672 0.103716 0.280905 H\n0.258859 0.359058 0.820926 H\n0.921956 0.025672 0.614239 H\n0.258859 0.899801 0.512408 H\n0.896284 0.921955 0.947572 H\n0.899802 0.640942 0.179075 H\n0.577358 0.788679 0.166667 C\n0.689436 0.378872 0.500000 C\n0.422642 0.211321 0.166667 C\n0.621128 0.310564 0.166667 C\n0.310564 0.689436 0.833333 C\n0.689436 0.310564 0.833333 C\n0.788679 0.211321 0.833333 C\n0.788679 0.577358 0.500000 C\n0.378872 0.689436 0.166667 C\n0.310564 0.621128 0.500000 C\n0.211321 0.788679 0.833333 C\n0.211321 0.422642 0.500000 C\n0.000000 0.000000 0.666667 N\n0.000000 0.000000 0.333333 N\n0.000000 0.000000 0.000000 N\n0.268770 0.346159 0.439037 O\n0.653841 0.922611 0.105704 O\n0.268770 0.922611 0.894297 O\n0.449372 0.693928 0.443454 O\n0.693928 0.449372 0.223213 O\n0.922611 0.268770 0.772370 O\n-0.000000 0.755375 0.166667 O\n0.755444 0.306072 0.556546 O\n0.077389 0.346159 0.560964 O\n0.346159 0.077389 0.105704 O\n0.306072 0.755444 0.110121 O\n0.755444 0.449372 0.776787 O\n0.755375 0.000000 0.500000 O\n0.922611 0.653841 0.560964 O\n0.755375 0.755375 0.833333 O\n0.244625 0.244625 0.833333 O\n0.731230 0.077389 0.894297 O\n0.449372 0.755444 0.889880 O\n-0.000000 0.244625 0.166667 O\n0.731230 0.653841 0.439037 O\n0.244556 0.550628 0.776787 O\n0.550628 0.244556 0.889880 O\n0.244625 0.000000 0.500000 O\n0.346159 0.268770 0.227630 O\n0.550628 0.306072 0.443454 O\n0.077389 0.731230 0.772370 O\n0.244556 0.693928 0.556546 O\n0.653841 0.731230 0.227630 O\n0.693928 0.244556 0.110121 O\n0.306072 0.550628 0.223213 O\n","nsites":72,"nelements":5,"elements":["In","H","C","N","O"],"chemical_system":"C-H-In-N-O","density":2.1187301081617353,"density_atomic":0.08877957961907895,"volume":810.9973071389383,"volume_molar":6.78324991607172,"formula_full":"In3 H24 C12 N3 O30","formula_reduced":"InH8C4NO10","formula_anonymous":"ABC4D8E10","energy_above_hull":3.861466175833333,"spacegroup":180},{"id":"jvasp-97936","created_at":"2022-09-04T14:36:11.383665Z","updated_at":"2022-09-04T14:36:11.383692Z","structure_string":"In4 H28 N8 O4 F16\n1.0\n6.818044 0.000000 0.000000\n0.000000 8.542216 0.000000\n0.000000 0.000000 9.276555\nIn H N O F\n4 28 8 4 16\ndirect\n0.863276 0.709277 0.451309 In\n0.636724 0.290723 0.951309 In\n0.363276 0.790724 0.548690 In\n0.136724 0.209277 0.048691 In\n0.782712 0.786748 0.785325 H\n0.717287 0.213252 0.285326 H\n0.282712 0.713252 0.214674 H\n0.217287 0.286748 0.714674 H\n0.739440 0.781410 0.964711 H\n0.239441 0.718591 0.035288 H\n0.915936 0.178853 0.689230 H\n0.260559 0.281410 0.535288 H\n0.911317 0.905364 0.895023 H\n0.411317 0.594637 0.104977 H\n0.088682 0.405364 0.604977 H\n0.760559 0.218591 0.464711 H\n0.584063 0.821148 0.189230 H\n0.588682 0.094637 0.395023 H\n0.084063 0.678853 0.810770 H\n0.415936 0.321147 0.310770 H\n-0.001641 0.478992 0.254020 H\n0.501641 0.521009 0.754019 H\n0.498359 0.021009 0.745980 H\n0.001641 0.978992 0.245980 H\n0.732300 0.493289 0.716167 H\n0.767699 0.506711 0.216167 H\n0.232301 0.006711 0.283833 H\n0.947282 0.573046 0.917192 H\n0.552717 0.426954 0.417192 H\n0.447282 0.926955 0.082807 H\n0.052717 0.073046 0.582807 H\n0.267699 0.993289 0.783832 H\n0.650865 0.205701 0.386441 N\n0.150865 0.294299 0.613559 N\n0.849134 0.794299 0.886440 N\n0.349135 0.705701 0.113559 N\n0.508660 0.817528 0.093048 N\n0.491340 0.317528 0.406952 N\n0.008660 0.682472 0.906952 N\n0.991339 0.182472 0.593047 N\n0.869864 0.516893 0.293060 O\n0.630136 0.483108 0.793060 O\n0.369864 0.983108 0.706939 O\n0.130136 0.016893 0.206939 O\n0.829224 0.188941 0.117329 F\n0.670775 0.811060 0.617328 F\n0.108594 0.026854 0.899702 F\n0.391406 0.973147 0.399702 F\n0.608594 0.473146 0.100297 F\n0.891406 0.526854 0.600297 F\n0.184363 0.397923 0.185430 F\n0.446741 0.153409 0.095973 F\n0.684363 0.102077 0.814570 F\n0.815637 0.897923 0.314570 F\n0.053259 0.846592 0.595972 F\n0.946740 0.346591 0.904027 F\n0.553259 0.653409 0.404027 F\n0.170775 0.688941 0.382671 F\n0.315637 0.602077 0.685429 F\n0.329225 0.311060 0.882671 F\n","nsites":60,"nelements":5,"elements":["In","H","N","O","F"],"chemical_system":"F-H-In-N-O","density":2.9736644676913255,"density_atomic":0.11105399290988525,"volume":540.2777372326179,"volume_molar":5.422714305181863,"formula_full":"In4 H28 N8 O4 F16","formula_reduced":"InH7N2OF4","formula_anonymous":"ABC2D4E7","energy_above_hull":2.3737327400000003,"spacegroup":19},{"id":"jvasp-98415","created_at":"2022-09-04T14:35:54.745857Z","updated_at":"2022-09-04T14:35:54.745881Z","structure_string":"K2 Al2 H4 C2 O10\n1.0\n3.099975 5.997269 -0.000000\n-3.099975 5.997269 -0.000000\n0.000000 0.000000 5.668112\nK Al H C O\n2 2 4 2 10\ndirect\n0.341492 0.341492 0.750000 K\n0.658509 0.658509 0.250000 K\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.213875 0.625580 0.250000 H\n0.374420 0.786125 0.750000 H\n0.786125 0.374420 0.750000 H\n0.625580 0.213875 0.250000 H\n0.786864 0.786864 0.750000 C\n0.213136 0.213136 0.250000 C\n0.320126 0.320126 0.250000 O\n0.784159 0.190317 0.250000 O\n0.809683 0.215841 0.750000 O\n0.215841 0.809683 0.750000 O\n0.190317 0.784159 0.250000 O\n0.159490 0.159490 0.450545 O\n0.840510 0.840510 0.549454 O\n0.159490 0.159490 0.049454 O\n0.840510 0.840510 0.950545 O\n0.679874 0.679874 0.750000 O\n","nsites":20,"nelements":5,"elements":["K","Al","H","C","O"],"chemical_system":"Al-C-H-K-O","density":2.5228972252015205,"density_atomic":0.09489642601814773,"volume":210.75609313437428,"volume_molar":6.346014294414358,"formula_full":"K2 Al2 H4 C2 O10","formula_reduced":"KAlH2CO5","formula_anonymous":"ABCD2E5","energy_above_hull":2.67654183,"spacegroup":63},{"id":"jvasp-61626","created_at":"2022-09-04T14:36:12.370936Z","updated_at":"2022-09-04T14:36:12.370954Z","structure_string":"K4 Al4 H24 O8 F24\n1.0\n8.653770 -0.000000 0.000000\n-0.000000 8.653770 -0.000000\n-0.000000 -0.000000 8.653770\nK Al H O F\n4 4 24 8 24\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.300777 0.297523 0.638052 H\n0.199223 0.702477 0.138052 H\n0.861948 0.699223 0.797523 H\n0.361948 0.800777 0.202477 H\n0.202477 0.361948 0.800777 H\n0.138052 0.199223 0.702477 H\n0.797523 0.861948 0.699223 H\n0.800777 0.202477 0.361948 H\n0.297523 0.638052 0.300777 H\n0.638052 0.300777 0.297523 H\n0.699223 0.797523 0.861948 H\n0.702477 0.138052 0.199223 H\n0.702477 0.361948 0.699223 H\n0.797523 0.638052 0.199223 H\n0.202477 0.138052 0.300777 H\n0.861948 0.800777 0.297523 H\n0.361948 0.699223 0.702477 H\n0.638052 0.199223 0.797523 H\n0.138052 0.300777 0.202477 H\n0.800777 0.297523 0.861948 H\n0.699223 0.702477 0.361948 H\n0.199223 0.797523 0.638052 H\n0.300777 0.202477 0.138052 H\n0.297523 0.861948 0.800777 H\n0.303514 0.696486 0.196486 O\n0.196486 0.303514 0.696486 O\n0.696486 0.196486 0.303514 O\n0.803514 0.803514 0.803514 O\n0.696486 0.303514 0.803514 O\n0.803514 0.696486 0.303514 O\n0.303514 0.803514 0.696486 O\n0.196486 0.196486 0.196486 O\n0.802134 0.951927 0.559183 F\n0.197866 0.451927 0.940817 F\n0.048073 0.059183 0.697866 F\n0.548073 0.440817 0.302134 F\n0.451927 0.940817 0.197866 F\n0.951927 0.559183 0.802134 F\n0.059183 0.697866 0.048073 F\n0.440817 0.302134 0.548073 F\n0.940817 0.197866 0.451927 F\n0.559183 0.802134 0.951927 F\n0.302134 0.951927 0.940817 F\n0.059183 0.802134 0.548073 F\n0.802134 0.548073 0.059183 F\n0.197866 0.048073 0.440817 F\n0.951927 0.940817 0.302134 F\n0.451927 0.559183 0.697866 F\n0.548073 0.059183 0.802134 F\n0.048073 0.440817 0.197866 F\n0.940817 0.302134 0.951927 F\n0.559183 0.697866 0.451927 F\n0.440817 0.197866 0.048073 F\n0.302134 0.548073 0.440817 F\n0.697866 0.451927 0.559183 F\n0.697866 0.048073 0.059183 F\n","nsites":64,"nelements":5,"elements":["K","Al","H","O","F"],"chemical_system":"Al-F-H-K-O","density":2.235537492183602,"density_atomic":0.09875609959350472,"volume":648.0612363533376,"volume_molar":6.097993728780356,"formula_full":"K4 Al4 H24 O8 F24","formula_reduced":"KAlH6(OF3)2","formula_anonymous":"ABC2D6E6","energy_above_hull":1.4352562184375,"spacegroup":205},{"id":"jvasp-62179","created_at":"2022-09-04T14:36:19.680937Z","updated_at":"2022-09-04T14:36:19.680966Z","structure_string":"K4 Al4 H24 O8 F24\n1.0\n8.654457 -0.000000 -0.000000\n-0.000000 8.654457 0.000000\n0.000000 -0.000000 8.654457\nK Al H O F\n4 4 24 8 24\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.300576 0.297689 0.637880 H\n0.199424 0.702311 0.137880 H\n0.862120 0.699424 0.797689 H\n0.362120 0.800576 0.202311 H\n0.202311 0.362120 0.800576 H\n0.137880 0.199424 0.702311 H\n0.797689 0.862120 0.699424 H\n0.800576 0.202311 0.362120 H\n0.297689 0.637880 0.300576 H\n0.637880 0.300576 0.297689 H\n0.699424 0.797689 0.862120 H\n0.702311 0.137880 0.199424 H\n0.702311 0.362120 0.699424 H\n0.797689 0.637880 0.199424 H\n0.202311 0.137880 0.300576 H\n0.862120 0.800576 0.297689 H\n0.362120 0.699424 0.702311 H\n0.637880 0.199424 0.797689 H\n0.137880 0.300576 0.202311 H\n0.800576 0.297689 0.862120 H\n0.699424 0.702311 0.362120 H\n0.199424 0.797689 0.637880 H\n0.300576 0.202311 0.137880 H\n0.297689 0.862120 0.800576 H\n0.303733 0.696267 0.196267 O\n0.196267 0.303733 0.696267 O\n0.696267 0.196267 0.303733 O\n0.803733 0.803733 0.803733 O\n0.696267 0.303733 0.803733 O\n0.803733 0.696267 0.303733 O\n0.303733 0.803733 0.696267 O\n0.196267 0.196267 0.196267 O\n0.802201 0.951885 0.559291 F\n0.197799 0.451885 0.940710 F\n0.048115 0.059291 0.697799 F\n0.548115 0.440710 0.302201 F\n0.451885 0.940710 0.197799 F\n0.951885 0.559291 0.802201 F\n0.059291 0.697799 0.048115 F\n0.440710 0.302201 0.548115 F\n0.940710 0.197799 0.451885 F\n0.559291 0.802201 0.951885 F\n0.302201 0.951885 0.940710 F\n0.059291 0.802201 0.548115 F\n0.802201 0.548115 0.059291 F\n0.197799 0.048115 0.440710 F\n0.951885 0.940710 0.302201 F\n0.451885 0.559291 0.697799 F\n0.548115 0.059291 0.802201 F\n0.048115 0.440710 0.197799 F\n0.940710 0.302201 0.951885 F\n0.559291 0.697799 0.451885 F\n0.440710 0.197799 0.048115 F\n0.302201 0.548115 0.440710 F\n0.697799 0.451885 0.559291 F\n0.697799 0.048115 0.059291 F\n","nsites":64,"nelements":5,"elements":["K","Al","H","O","F"],"chemical_system":"Al-F-H-K-O","density":2.2350051564128695,"density_atomic":0.09873258336773105,"volume":648.2155922288694,"volume_molar":6.099446155045334,"formula_full":"K4 Al4 H24 O8 F24","formula_reduced":"KAlH6(OF3)2","formula_anonymous":"ABC2D6E6","energy_above_hull":1.4352562184375,"spacegroup":205},{"id":"jvasp-46825","created_at":"2022-09-04T14:38:10.321017Z","updated_at":"2022-09-04T14:38:10.321035Z","structure_string":"K4 Al2 P2 C2 O14\n1.0\n0.000000 5.411224 -0.031017\n6.577620 0.000000 0.000000\n0.000000 0.040306 -9.572586\nK Al P C O\n4 2 2 2 14\ndirect\n0.244794 0.029202 0.239407 K\n0.244794 0.470798 0.239407 K\n0.755206 0.529202 0.760593 K\n0.755206 0.970798 0.760593 K\n0.770991 0.750000 0.359435 Al\n0.229009 0.250000 0.640566 Al\n0.729859 0.250000 0.437438 P\n0.270141 0.750000 0.562562 P\n0.726743 0.750000 0.110453 C\n0.273257 0.250000 0.889547 C\n0.454059 0.250000 0.795057 O\n0.231789 0.944133 0.651171 O\n0.231789 0.555867 0.651171 O\n0.917678 0.250000 0.559318 O\n0.541668 0.750000 0.504845 O\n0.458332 0.250000 0.495155 O\n0.941123 0.750000 0.173606 O\n0.768211 0.444133 0.348830 O\n0.768211 0.055867 0.348830 O\n0.545941 0.750000 0.204943 O\n0.058877 0.250000 0.826394 O\n0.305506 0.250000 0.018126 O\n0.082322 0.750000 0.440682 O\n0.694494 0.750000 0.981874 O\n","nsites":24,"nelements":5,"elements":["K","Al","P","C","O"],"chemical_system":"Al-C-K-O-P","density":2.5359101388115866,"density_atomic":0.07044142851750934,"volume":340.7085930126249,"volume_molar":8.54914627193158,"formula_full":"K4 Al2 P2 C2 O14","formula_reduced":"K2AlPCO7","formula_anonymous":"ABCD2E7","energy_above_hull":2.420919066666666,"spacegroup":11},{"id":"jvasp-52410","created_at":"2022-09-04T14:37:04.580996Z","updated_at":"2022-09-04T14:37:04.581013Z","structure_string":"K1 Al1 P4 H4 O14\n1.0\n4.912652 -0.026569 -0.018041\n2.036453 7.155597 -0.055562\n0.828267 0.866032 7.629146\nK Al P H O\n1 1 4 4 14\ndirect\n0.000000 0.000000 0.000000 K\n-0.000000 0.500000 0.000000 Al\n0.420774 0.608036 0.228959 P\n0.579226 0.391964 0.771042 P\n0.315593 0.235079 0.317212 P\n0.684406 0.764920 0.682789 P\n0.117920 0.786295 0.417797 H\n0.882079 0.213705 0.582204 H\n0.310781 0.003441 0.618445 H\n0.689219 -0.003442 0.381556 H\n0.697716 0.222485 0.661818 O\n0.302283 0.777515 0.338183 O\n0.731608 0.591924 0.184222 O\n0.268391 0.408076 0.815779 O\n0.622839 0.571937 0.642235 O\n0.377161 0.428063 0.357766 O\n0.833964 0.837377 0.518929 O\n0.246222 0.628071 0.072424 O\n0.838323 0.721886 0.849435 O\n0.161676 0.278114 0.150566 O\n0.387165 0.903835 0.719343 O\n0.166036 0.162624 0.481072 O\n0.753777 0.371929 0.927577 O\n0.612834 0.096165 0.280658 O\n","nsites":24,"nelements":5,"elements":["K","Al","P","H","O"],"chemical_system":"Al-H-K-O-P","density":2.581145466205729,"density_atomic":0.08924834370287564,"volume":268.9125534911939,"volume_molar":6.747621871895828,"formula_full":"K1 Al1 P4 H4 O14","formula_reduced":"KAlP4(H2O7)2","formula_anonymous":"ABC4D4E14","energy_above_hull":2.925254241666667,"spacegroup":2},{"id":"jvasp-23881","created_at":"2022-09-04T14:37:40.533745Z","updated_at":"2022-09-04T14:37:40.533776Z","structure_string":"K8 Al6 Si6 Cl2 O24\n1.0\n9.347795 0.000000 -0.000000\n-0.000000 9.347795 -0.000000\n0.000000 -0.000000 9.347795\nK Al Si Cl O\n8 6 6 2 24\ndirect\n0.313524 0.313524 0.686477 K\n0.813524 0.813524 0.186476 K\n0.686477 0.313524 0.313524 K\n0.813524 0.186476 0.813524 K\n0.313524 0.686477 0.313524 K\n0.186476 0.186476 0.186476 K\n0.686477 0.686477 0.686477 K\n0.186476 0.813524 0.813524 K\n0.750000 0.500000 0.000000 Al\n0.000000 0.750000 0.500000 Al\n0.000000 0.250000 0.500000 Al\n0.250000 0.500000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.500000 0.000000 0.250000 Al\n0.250000 0.000000 0.500000 Si\n0.500000 0.750000 0.000000 Si\n0.500000 0.250000 0.000000 Si\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.750000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.346357 0.023151 0.644445 O\n0.023151 0.355555 0.653643 O\n0.976850 0.355555 0.346357 O\n0.644445 0.346357 0.023151 O\n0.355555 0.653643 0.023151 O\n0.476850 0.153643 0.144445 O\n0.144445 0.476850 0.153643 O\n0.855556 0.523151 0.153643 O\n0.476850 0.846357 0.855556 O\n0.855556 0.476850 0.846357 O\n0.523151 0.846357 0.144445 O\n0.653643 0.976850 0.644445 O\n0.144445 0.523151 0.846357 O\n0.153643 0.855556 0.523151 O\n0.846357 0.144445 0.523151 O\n0.846357 0.855556 0.476850 O\n0.355555 0.346357 0.976850 O\n0.644445 0.653643 0.976850 O\n0.023151 0.644445 0.346357 O\n0.976850 0.644445 0.653643 O\n0.653643 0.023151 0.355555 O\n0.153643 0.144445 0.476850 O\n0.523151 0.153643 0.855556 O\n0.346357 0.976850 0.355555 O\n","nsites":46,"nelements":5,"elements":["K","Al","Si","Cl","O"],"chemical_system":"Al-Cl-K-O-Si","density":2.2323157929483877,"density_atomic":0.05631580452954116,"volume":816.8222115315804,"volume_molar":10.693518116821027,"formula_full":"K8 Al6 Si6 Cl2 O24","formula_reduced":"K4Al3Si3ClO12","formula_anonymous":"AB3C3D4E12","energy_above_hull":2.076413142065217,"spacegroup":218},{"id":"jvasp-95353","created_at":"2022-09-04T14:35:46.295075Z","updated_at":"2022-09-04T14:35:46.295096Z","structure_string":"K2 Ba1 Co1 N6 O12\n1.0\n6.421903 -0.000000 3.707688\n2.140635 6.054629 3.707688\n-0.000000 -0.000000 7.415375\nK Ba Co N O\n2 1 1 6 12\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 Co\n0.185259 0.814740 0.185261 N\n0.814739 0.185260 0.814741 N\n0.814739 0.185260 0.185261 N\n0.814739 0.814740 0.185261 N\n0.185259 0.814740 0.814741 N\n0.185260 0.185260 0.814741 N\n0.350902 0.143132 0.649099 O\n0.143131 0.856868 0.649099 O\n0.350901 0.649098 0.856869 O\n0.649097 0.856868 0.350903 O\n0.856867 0.649098 0.143133 O\n0.856867 0.350902 0.649099 O\n0.350901 0.856868 0.143133 O\n0.649097 0.350902 0.143132 O\n0.856868 0.143132 0.350903 O\n0.143132 0.350902 0.856869 O\n0.649098 0.143132 0.856869 O\n0.143131 0.649098 0.350903 O\n","nsites":22,"nelements":5,"elements":["K","Ba","Co","N","O"],"chemical_system":"Ba-Co-K-N-O","density":3.1703993716968006,"density_atomic":0.07630241507822631,"volume":288.3263914706407,"volume_molar":7.892464155723009,"formula_full":"K2 Ba1 Co1 N6 O12","formula_reduced":"K2BaCo(NO2)6","formula_anonymous":"ABC2D6E12","energy_above_hull":3.483002925909091,"spacegroup":202},{"id":"jvasp-103083","created_at":"2022-09-04T14:36:43.929150Z","updated_at":"2022-09-04T14:36:43.929179Z","structure_string":"K1 Ba1 Li1 Zn1 F6\n1.0\n4.962240 -0.000000 2.864950\n1.654080 4.678444 2.864950\n0.000000 0.000000 5.729901\nK Ba Li Zn F\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Li\n0.750000 0.749999 0.750000 Zn\n0.001620 0.498379 0.498380 F\n0.001620 0.001620 0.498380 F\n0.498380 0.001620 0.498380 F\n0.498380 0.498379 0.001620 F\n0.001620 0.498379 0.001620 F\n0.498380 0.001620 0.001620 F\n","nsites":10,"nelements":5,"elements":["K","Ba","Li","Zn","F"],"chemical_system":"Ba-F-K-Li-Zn","density":4.528444178374576,"density_atomic":0.07517504227118958,"volume":133.0228716589953,"volume_molar":8.010824574298846,"formula_full":"K1 Ba1 Li1 Zn1 F6","formula_reduced":"KBaLiZnF6","formula_anonymous":"ABCDE6","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-36728","created_at":"2022-09-04T14:37:59.817276Z","updated_at":"2022-09-04T14:37:59.817306Z","structure_string":"K2 Ba2 Si2 H2 O8\n1.0\n0.000000 5.850586 -0.003286\n8.093323 0.000000 0.000000\n0.000000 -2.888664 -5.259471\nK Ba Si H O\n2 2 2 2 8\ndirect\n0.372847 0.228962 0.701388 K\n0.627154 0.728961 0.298612 K\n0.016721 0.482768 -0.000126 Ba\n0.983281 0.982768 0.000127 Ba\n0.705056 0.246099 0.378065 Si\n0.294946 0.746099 0.621936 Si\n0.511395 0.009401 0.449690 H\n0.488607 0.509401 0.550310 H\n0.839000 0.245172 0.194283 O\n0.161002 0.745172 0.805717 O\n0.914965 0.229507 0.681296 O\n0.085037 0.729507 0.318704 O\n0.508712 0.404323 0.329673 O\n0.491290 0.904322 0.670327 O\n0.513171 0.070766 0.301185 O\n0.486831 0.570766 0.698815 O\n","nsites":16,"nelements":5,"elements":["K","Ba","Si","H","O"],"chemical_system":"Ba-H-K-O-Si","density":3.5930390609564267,"density_atomic":0.06422701343817709,"volume":249.11636309231625,"volume_molar":9.376336276007484,"formula_full":"K2 Ba2 Si2 H2 O8","formula_reduced":"KBaSiHO4","formula_anonymous":"ABCDE4","energy_above_hull":1.74918957125,"spacegroup":4}]}