{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=updated_at&page=3417","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=updated_at&page=3415","results":[{"id":"jvasp-48224","created_at":"2022-09-04T14:38:07.901895Z","updated_at":"2022-09-04T14:38:07.901926Z","structure_string":"Li2 Fe2 C4 O12\n1.0\n0.000000 4.534602 -0.501542\n7.935297 0.000000 0.000000\n0.000000 -1.446399 -5.625764\nLi Fe C O\n2 2 4 12\ndirect\n0.039732 0.948693 0.832467 Li\n0.960267 0.448692 0.167532 Li\n0.619758 0.985007 0.303389 Fe\n0.380240 0.485007 0.696610 Fe\n0.104866 0.759724 0.423358 C\n0.895133 0.259723 0.576641 C\n0.593608 0.737957 0.941593 C\n0.406391 0.237957 0.058406 C\n0.318954 0.736518 0.850629 O\n0.681045 0.236518 0.149370 O\n0.726259 0.877144 0.017600 O\n0.736566 0.599151 0.945590 O\n0.742195 0.392515 0.602629 O\n0.215800 0.608712 0.409997 O\n0.835815 0.776680 0.462376 O\n0.164184 0.276680 0.537624 O\n0.273741 0.377144 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0.779234 O\n0.749923 0.285074 0.749922 O\n0.779234 0.710684 0.299397 O\n0.749922 0.715081 0.749922 O\n","nsites":14,"nelements":3,"elements":["Mg","Si","O"],"chemical_system":"Mg-O-Si","density":3.391272459194264,"density_atomic":0.10161055572935566,"volume":137.7809608412106,"volume_molar":5.926688144527273,"formula_full":"Mg4 Si2 O8","formula_reduced":"Mg2SiO4","formula_anonymous":"AB2C4","energy_above_hull":1.3892872428571428,"spacegroup":74},{"id":"jvasp-40165","created_at":"2022-09-04T14:38:07.913981Z","updated_at":"2022-09-04T14:38:07.914003Z","structure_string":"Cu4 H12 N4 Cl4\n1.0\n-4.180805 4.180805 4.180805\n-4.180805 -4.180805 -4.180805\n4.180805 -4.180805 4.180805\nCu H N Cl\n4 12 4 4\ndirect\n0.000000 0.243549 0.000000 Cu\n0.499999 0.499999 0.243549 Cu\n0.756450 0.256450 0.256450 Cu\n0.743549 0.000000 0.499999 Cu\n0.134903 0.969470 0.988653 H\n0.646249 0.511345 0.980816 H\n0.488654 0.634903 0.969470 H\n0.853750 0.834568 0.865095 H\n0.019183 0.530528 0.665431 H\n0.365096 0.353750 0.834568 H\n0.165431 0.519182 0.530528 H\n0.030529 0.665431 0.519182 H\n0.480816 0.146249 0.511345 H\n0.334568 0.865095 0.353750 H\n0.011346 0.980816 0.146249 H\n0.469471 0.988653 0.634903 H\n0.499999 0.499999 0.980359 N\n0.000000 0.980359 0.000000 N\n0.480359 0.000000 0.499999 N\n0.019640 0.519639 0.519639 N\n0.499999 0.499999 0.536689 Cl\n0.000000 0.536689 0.000000 Cl\n0.036689 0.000000 0.499999 Cl\n0.463310 0.963310 0.963310 Cl\n","nsites":24,"nelements":4,"elements":["Cu","H","N","Cl"],"chemical_system":"Cl-Cu-H-N","density":2.6365612067643243,"density_atomic":0.08210536102352524,"volume":292.3073438910207,"volume_molar":7.3346498753893865,"formula_full":"Cu4 H12 N4 Cl4","formula_reduced":"CuH3NCl","formula_anonymous":"ABCD3","energy_above_hull":2.2448696279166667,"spacegroup":199},{"id":"jvasp-88713","created_at":"2022-09-04T14:38:07.916106Z","updated_at":"2022-09-04T14:38:07.916130Z","structure_string":"Na4 V8 O16\n1.0\n2.888669 0.000000 0.000000\n0.000000 9.205669 0.000000\n0.000000 0.000000 10.693955\nNa V O\n4 8 16\ndirect\n0.750000 0.258328 0.846938 Na\n0.750000 0.758328 0.653061 Na\n0.250000 0.241672 0.346938 Na\n0.250000 0.741672 0.153061 Na\n0.250000 0.586648 0.896121 V\n0.750000 0.438814 0.614584 V\n0.250000 0.061186 0.114585 V\n0.750000 0.938814 0.885415 V\n0.750000 0.913352 0.396121 V\n0.250000 0.086648 0.603879 V\n0.250000 0.561186 0.385415 V\n0.750000 0.413352 0.103879 V\n0.250000 0.793405 0.852479 O\n0.250000 0.388434 0.980038 O\n0.750000 0.521135 0.782871 O\n0.750000 0.021135 0.717128 O\n0.250000 0.078577 0.929442 O\n0.750000 0.206595 0.147520 O\n0.250000 0.293405 0.647520 O\n0.750000 0.421423 0.429442 O\n0.750000 0.706595 0.352480 O\n0.750000 0.111566 0.480038 O\n0.250000 0.978865 0.282871 O\n0.250000 0.578577 0.570558 O\n0.750000 0.921423 0.070558 O\n0.250000 0.478865 0.217128 O\n0.250000 0.888434 0.519962 O\n0.750000 0.611566 0.019962 O\n","nsites":28,"nelements":3,"elements":["Na","V","O"],"chemical_system":"Na-O-V","density":4.411450697483559,"density_atomic":0.09846152160633327,"volume":284.37504868093544,"volume_molar":6.116237756387306,"formula_full":"Na4 V8 O16","formula_reduced":"NaV2O4","formula_anonymous":"AB2C4","energy_above_hull":2.5240530571428565,"spacegroup":62},{"id":"jvasp-9590","created_at":"2022-09-04T14:38:07.920432Z","updated_at":"2022-09-04T14:38:07.920456Z","structure_string":"K4 S4 O10\n1.0\n0.000000 7.035650 0.132186\n6.154445 0.000000 0.000000\n0.000000 -1.659224 -7.269237\nK S O\n4 4 10\ndirect\n0.364683 0.250000 0.328499 K\n0.635318 0.750001 0.671501 K\n0.784533 0.250000 0.070935 K\n0.215468 0.750001 0.929064 K\n0.958003 0.250000 0.668315 S\n0.041998 0.750001 0.331685 S\n0.297989 0.250000 0.757054 S\n0.702011 0.750001 0.242946 S\n0.919504 0.050170 0.769548 O\n0.080497 0.550170 0.230452 O\n0.636703 0.949567 0.322036 O\n0.363297 0.449567 0.677964 O\n0.355240 0.250000 0.961782 O\n0.636703 0.550434 0.322036 O\n0.644761 0.750001 0.038218 O\n0.080497 0.949831 0.230452 O\n0.363297 0.050434 0.677964 O\n0.919504 0.449830 0.769548 O\n","nsites":18,"nelements":3,"elements":["K","S","O"],"chemical_system":"K-O-S","density":2.3558582288326773,"density_atomic":0.05743240430878122,"volume":313.41191817818185,"volume_molar":10.485614928503411,"formula_full":"K4 S4 O10","formula_reduced":"K2S2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.6522459444444444,"spacegroup":11},{"id":"jvasp-35205","created_at":"2022-09-04T14:38:07.925552Z","updated_at":"2022-09-04T14:38:07.925574Z","structure_string":"Si2 Ge2 N4 O2\n1.0\n-0.232261 0.000000 5.025449\n2.825295 4.578126 0.106201\n-2.825295 4.578126 -0.106201\nSi Ge N O\n2 2 4 2\ndirect\n0.408785 0.012969 0.332920 Si\n0.408785 0.667081 0.987032 Si\n0.913651 0.325654 0.029366 Ge\n0.913651 0.970635 0.674347 Ge\n0.748400 0.659520 0.942882 N\n0.748400 0.057119 0.340481 N\n0.268993 0.334813 0.114992 N\n0.268993 0.885009 0.665188 N\n0.857027 0.267946 0.732055 O\n0.331315 0.799960 0.200041 O\n","nsites":10,"nelements":4,"elements":["Si","Ge","N","O"],"chemical_system":"Ge-N-O-Si","density":3.6910703480471905,"density_atomic":0.07678736450090938,"volume":130.2297593490342,"volume_molar":7.8426194194080985,"formula_full":"Si2 Ge2 N4 O2","formula_reduced":"SiGeN2O","formula_anonymous":"ABCD2","energy_above_hull":3.31815291,"spacegroup":8},{"id":"jvasp-44917","created_at":"2022-09-04T14:38:07.928839Z","updated_at":"2022-09-04T14:38:07.928856Z","structure_string":"Li4 Ti2 Ni4 O10\n1.0\n4.360422 -2.548406 0.008766\n1.488072 -0.848502 4.790685\n-1.503145 -7.575719 0.032272\nLi Ti Ni O\n4 2 4 10\ndirect\n0.199513 0.999984 0.600975 Li\n0.301003 0.500004 0.397997 Li\n0.800652 0.000003 0.398688 Li\n0.495684 0.500008 0.008620 Li\n0.394885 -0.000001 0.210238 Ti\n0.696222 0.499990 0.607577 Ti\n0.604960 0.000005 0.790071 Ni\n0.897710 0.500002 0.204578 Ni\n0.102565 0.500002 0.794858 Ni\n0.000356 1.000000 0.999286 Ni\n0.936514 0.735854 0.601365 O\n0.053711 0.249287 0.398943 O\n0.361258 0.743681 0.789940 O\n0.462119 0.264150 0.601364 O\n0.161900 0.766381 0.197529 O\n0.249283 0.243363 0.005788 O\n0.848809 0.256310 0.789937 O\n0.640566 0.233630 0.197528 O\n0.547344 0.750720 0.398941 O\n0.744925 0.756639 0.005788 O\n","nsites":20,"nelements":4,"elements":["Li","Ti","Ni","O"],"chemical_system":"Li-Ni-O-Ti","density":4.876016753852587,"density_atomic":0.11331664401405822,"volume":176.49657889196553,"volume_molar":5.314436208729306,"formula_full":"Li4 Ti2 Ni4 O10","formula_reduced":"Li2TiNi2O5","formula_anonymous":"AB2C2D5","energy_above_hull":2.121972063333333,"spacegroup":5},{"id":"jvasp-46044","created_at":"2022-09-04T14:38:07.935187Z","updated_at":"2022-09-04T14:38:07.935218Z","structure_string":"K2 Nd2 O4\n1.0\n3.623787 -0.000129 0.000088\n-1.811887 3.138553 0.000886\n-0.001157 -0.006836 12.553849\nK Nd O\n2 2 4\ndirect\n0.666645 0.333255 0.250001 K\n0.333353 0.666742 0.749999 K\n0.000000 0.000000 0.000000 Nd\n-0.000001 -0.000001 0.500000 Nd\n0.666733 0.333420 0.596752 O\n0.666592 0.333241 0.903241 O\n0.333265 0.666577 0.403249 O\n0.333405 0.666756 0.096759 O\n","nsites":8,"nelements":3,"elements":["K","Nd","O"],"chemical_system":"K-Nd-O","density":5.0088936501575105,"density_atomic":0.056031185462450346,"volume":142.77763238404532,"volume_molar":10.74783749495319,"formula_full":"K2 Nd2 O4","formula_reduced":"KNdO2","formula_anonymous":"ABC2","energy_above_hull":0.6695341250000002,"spacegroup":194},{"id":"jvasp-22646","created_at":"2022-09-04T14:38:07.941510Z","updated_at":"2022-09-04T14:38:07.941539Z","structure_string":"Cd1 Br2\n1.0\n3.828856 -0.007179 5.501979\n1.720762 3.420406 5.501979\n-0.011673 -0.007179 6.703116\nCd Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750337 0.750337 0.750336 Br\n0.249664 0.249664 0.249663 Br\n","nsites":3,"nelements":2,"elements":["Cd","Br"],"chemical_system":"Br-Cd","density":5.126696865816678,"density_atomic":0.03402446945709318,"volume":88.17183773528558,"volume_molar":17.699440596992314,"formula_full":"Cd1 Br2","formula_reduced":"CdBr2","formula_anonymous":"AB2","energy_above_hull":0.0001999999999999,"spacegroup":166},{"id":"jvasp-45803","created_at":"2022-09-04T14:38:07.943106Z","updated_at":"2022-09-04T14:38:07.943136Z","structure_string":"Li8 Ti1 Mn3 O12\n1.0\n4.890272 -0.001057 -0.000212\n0.004822 4.902837 -0.000169\n0.000061 0.000487 8.362322\nLi Ti Mn O\n8 1 3 12\ndirect\n0.001066 0.499683 0.923456 Li\n0.000853 0.499720 0.231954 Li\n0.000745 0.999698 0.561372 Li\n0.000839 0.999714 0.253104 Li\n0.500950 0.499606 0.756598 Li\n0.500744 -0.000403 0.727333 Li\n0.500786 0.999709 0.416772 Li\n0.500920 0.499717 0.069962 Li\n0.000803 0.999696 0.900594 Ti\n0.500863 0.499712 0.403056 Mn\n0.500837 0.999718 0.085870 Mn\n0.000873 0.499706 0.579687 Mn\n0.825484 0.284325 0.417768 O\n0.142031 0.743635 0.740160 O\n0.176234 0.715099 0.417775 O\n0.180502 0.780098 0.071783 O\n0.326705 0.282867 0.567220 O\n0.332362 0.220987 0.921046 O\n0.349942 0.248012 0.245394 O\n0.651766 0.751426 0.245403 O\n0.669318 0.778419 0.921050 O\n0.675015 0.716538 0.567227 O\n0.821195 0.219326 0.071779 O\n0.859686 0.255764 0.740151 O\n","nsites":24,"nelements":4,"elements":["Li","Ti","Mn","O"],"chemical_system":"Li-Mn-O-Ti","density":3.811448777418948,"density_atomic":0.11970265728715238,"volume":200.49680219234287,"volume_molar":5.030916519717355,"formula_full":"Li8 Ti1 Mn3 O12","formula_reduced":"Li8TiMn3O12","formula_anonymous":"AB3C8D12","energy_above_hull":2.6171480023946367,"spacegroup":3}]}