{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3593","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3591","results":[{"id":"jvasp-14410","created_at":"2022-09-04T14:38:04.033785Z","updated_at":"2022-09-04T14:38:04.033802Z","structure_string":"K4 Hf2 F12\n1.0\n6.037393 -0.000000 0.000000\n0.000000 6.037393 -0.000000\n-0.000000 -0.000000 8.901464\nK Hf F\n4 2 12\ndirect\n0.000000 0.500000 0.250000 K\n0.500000 0.000000 0.250000 K\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Hf\n0.500000 0.500000 0.725665 F\n0.000000 0.000000 0.774335 F\n0.500000 0.500000 0.274335 F\n0.000000 0.000000 0.225665 F\n0.155368 0.707280 0.000000 F\n0.707280 0.844632 0.000000 F\n0.207281 0.655368 0.500000 F\n0.292719 0.155368 0.000000 F\n0.655368 0.792719 0.500000 F\n0.344632 0.207281 0.500000 F\n0.792719 0.344632 0.500000 F\n0.844632 0.292719 0.000000 F\n","nsites":18,"nelements":3,"elements":["K","Hf","F"],"chemical_system":"F-Hf-K","density":3.7941493452608146,"density_atomic":0.05547689827372687,"volume":324.45937967163826,"volume_molar":10.855222529360491,"formula_full":"K4 Hf2 F12","formula_reduced":"K2HfF6","formula_anonymous":"AB2C6","energy_above_hull":0.0077833333333333,"spacegroup":128},{"id":"jvasp-11393","created_at":"2022-09-04T14:38:31.880254Z","updated_at":"2022-09-04T14:38:31.880279Z","structure_string":"K6 Au2 Se4\n1.0\n7.367167 0.020030 2.950928\n2.004017 7.089391 2.950928\n0.026403 0.020030 7.936147\nK Au Se\n6 2 4\ndirect\n0.958660 0.541340 0.250000 K\n0.250000 0.958659 0.541341 K\n0.541340 0.250000 0.958660 K\n0.041340 0.458659 0.750001 K\n0.750000 0.041340 0.458660 K\n0.458660 0.750000 0.041341 K\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.635149 0.635149 0.635150 Se\n0.864851 0.864851 0.864852 Se\n0.135149 0.135149 0.135149 Se\n0.364851 0.364851 0.364851 Se\n","nsites":12,"nelements":3,"elements":["K","Au","Se"],"chemical_system":"Au-K-Se","density":3.794142997969919,"density_atomic":0.02903400244015844,"volume":413.3085000847894,"volume_molar":20.741683040125615,"formula_full":"K6 Au2 Se4","formula_reduced":"K3AuSe2","formula_anonymous":"AB2C3","energy_above_hull":0.0,"spacegroup":167},{"id":"jvasp-23296","created_at":"2022-09-04T14:37:49.608916Z","updated_at":"2022-09-04T14:37:49.608941Z","structure_string":"Ca12 Cr8 Si12 O48\n1.0\n9.843677 -0.000000 -3.480265\n-4.921838 8.524874 -3.480265\n0.000000 0.000000 10.440795\nCa Cr Si O\n12 8 12 48\ndirect\n0.375000 0.750000 0.124999 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.875000 0.750000 0.624999 Ca\n0.750000 0.125000 0.375000 Ca\n0.250000 0.375000 0.125000 Ca\n0.625000 0.875000 0.749999 Ca\n0.875000 0.625000 0.249999 Ca\n0.250000 0.875000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.750000 0.625000 0.875000 Ca\n0.500000 0.000000 -0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n-0.000000 0.500000 -0.000000 Cr\n-0.000000 -0.000000 0.500000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.500000 0.500000 -0.000001 Cr\n0.000000 0.000000 0.000000 Cr\n0.250000 0.125000 0.875000 Si\n0.750000 0.875000 0.124999 Si\n0.375000 0.250000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.875000 0.125000 0.750000 Si\n0.125000 0.750000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.125000 0.875000 0.249999 Si\n0.875000 0.250000 0.125000 Si\n0.625000 0.750000 0.374999 Si\n0.750000 0.375000 0.625000 Si\n0.250000 0.625000 0.375000 Si\n0.508534 0.394221 0.807390 O\n0.491466 0.385685 0.298854 O\n0.692610 0.086831 0.701146 O\n0.086831 0.701145 0.692610 O\n0.991466 0.798854 0.885685 O\n0.807390 0.508534 0.394221 O\n0.413169 0.105779 0.614315 O\n0.885685 0.991465 0.798854 O\n0.298854 0.491465 0.385685 O\n0.394221 0.086831 0.885686 O\n0.385685 0.586831 0.894221 O\n0.491465 0.605779 0.192610 O\n0.114314 0.008534 0.201146 O\n0.586831 0.894221 0.385685 O\n0.192610 0.491465 0.605779 O\n0.008534 0.201146 0.114314 O\n0.913169 0.298854 0.307389 O\n0.894221 0.008534 0.307390 O\n0.307389 0.913168 0.298854 O\n0.192610 0.201146 0.586831 O\n0.605779 0.192610 0.491465 O\n0.586831 0.192610 0.201146 O\n0.201146 0.114314 0.008534 O\n0.201146 0.586831 0.192610 O\n0.114314 0.605779 0.913169 O\n0.008534 0.307390 0.894221 O\n0.894221 0.385685 0.586831 O\n0.105779 0.991465 0.692610 O\n0.605779 0.913168 0.114314 O\n0.913169 0.114314 0.605779 O\n0.086831 0.885685 0.394221 O\n0.508534 0.614314 0.701145 O\n0.614314 0.701145 0.508534 O\n0.692610 0.105779 0.991466 O\n0.701146 0.692610 0.086831 O\n0.807390 0.798854 0.413168 O\n0.394221 0.807389 0.508534 O\n0.105779 0.614314 0.413168 O\n0.413168 0.807389 0.798854 O\n0.798854 0.413168 0.807390 O\n0.885686 0.394221 0.086831 O\n0.991466 0.692610 0.105778 O\n0.701146 0.508534 0.614314 O\n0.298854 0.307390 0.913169 O\n0.307389 0.894221 0.008534 O\n0.385686 0.298854 0.491465 O\n0.798854 0.885685 0.991465 O\n0.614314 0.413168 0.105779 O\n","nsites":80,"nelements":4,"elements":["Ca","Cr","Si","O"],"chemical_system":"Ca-Cr-O-Si","density":3.7941370894679016,"density_atomic":0.0913084761328316,"volume":876.1508612148939,"volume_molar":6.595379766539144,"formula_full":"Ca12 Cr8 Si12 O48","formula_reduced":"Ca3Cr2(SiO4)3","formula_anonymous":"A2B3C3D12","energy_above_hull":2.805585193,"spacegroup":230},{"id":"jvasp-58491","created_at":"2022-09-04T14:37:05.722309Z","updated_at":"2022-09-04T14:37:05.722323Z","structure_string":"V4 Zn1 S8\n1.0\n5.818563 -0.004513 4.457571\n2.197841 5.387504 4.457571\n-0.006719 -0.004513 7.329774\nV Zn S\n4 1 8\ndirect\n0.500000 0.999999 0.500001 V\n0.999998 0.500000 0.500001 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.499999 0.500001 0.499999 Zn\n0.755041 0.257187 0.755042 S\n0.244956 0.244958 0.742814 S\n0.244956 0.742815 0.244957 S\n0.742812 0.244958 0.244958 S\n0.256497 0.256498 0.256497 S\n0.743502 0.743503 0.743502 S\n0.257187 0.755043 0.755042 S\n0.755043 0.755043 0.257186 S\n","nsites":13,"nelements":3,"elements":["V","Zn","S"],"chemical_system":"S-V-Zn","density":3.7941025703568925,"density_atomic":0.05650273574563561,"volume":230.07735516601332,"volume_molar":10.658140142294195,"formula_full":"V4 Zn1 S8","formula_reduced":"V4ZnS8","formula_anonymous":"AB4C8","energy_above_hull":2.8607997846153848,"spacegroup":166},{"id":"jvasp-33673","created_at":"2022-09-04T14:37:02.676791Z","updated_at":"2022-09-04T14:37:02.676817Z","structure_string":"I6 Cl6 O6\n1.0\n9.448392 -0.144950 -0.320938\n-3.893549 8.610075 -0.320940\n-3.893553 -5.933457 6.247436\nI Cl O\n6 6 6\ndirect\n0.248669 0.722588 0.584020 I\n0.277411 0.415979 0.751331 I\n0.415979 0.751330 0.277411 I\n0.584020 0.248669 0.722589 I\n0.722588 0.584020 0.248669 I\n0.751331 0.277411 0.415980 I\n0.931784 0.877286 0.646891 Cl\n0.353109 0.068215 0.122713 Cl\n0.877287 0.646891 0.931785 Cl\n0.122713 0.353108 0.068216 Cl\n0.646891 0.931784 0.877287 Cl\n0.068216 0.122713 0.353109 Cl\n0.145226 0.523628 0.698655 O\n0.301345 0.854773 0.476372 O\n0.476372 0.301345 0.854774 O\n0.523628 0.698654 0.145226 O\n0.698655 0.145226 0.523628 O\n0.854774 0.476371 0.301345 O\n","nsites":18,"nelements":3,"elements":["I","Cl","O"],"chemical_system":"Cl-I-O","density":3.7940769331097344,"density_atomic":0.03843159843523583,"volume":468.36459405489586,"volume_molar":15.669763957771345,"formula_full":"I6 Cl6 O6","formula_reduced":"IClO","formula_anonymous":"ABC","energy_above_hull":0.5882812808333335,"spacegroup":148},{"id":"jvasp-100935","created_at":"2022-09-04T14:36:33.737923Z","updated_at":"2022-09-04T14:36:33.737954Z","structure_string":"Li2 Mn2 P2\n1.0\n3.634553 -0.000000 0.000000\n0.000000 3.634553 0.000000\n0.000000 -0.000000 6.152720\nLi Mn P\n2 2 2\ndirect\n-0.000000 0.500000 0.352091 Li\n0.500000 0.000000 0.647909 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n-0.000000 0.500000 0.771054 P\n0.500000 0.000000 0.228945 P\n","nsites":6,"nelements":3,"elements":["Li","Mn","P"],"chemical_system":"Li-Mn-P","density":3.794066742463722,"density_atomic":0.07382136756677841,"volume":81.27728051871203,"volume_molar":8.157720397894828,"formula_full":"Li2 Mn2 P2","formula_reduced":"LiMnP","formula_anonymous":"ABC","energy_above_hull":2.119380913793104,"spacegroup":129},{"id":"jvasp-87910","created_at":"2022-09-04T14:37:40.573614Z","updated_at":"2022-09-04T14:37:40.573643Z","structure_string":"Mg12 Mn8 Si12 O48\n1.0\n9.564288 0.000000 -3.381486\n-4.782145 8.282917 -3.381486\n-0.000000 -0.000000 10.144460\nMg Mn Si O\n12 8 12 48\ndirect\n0.250000 0.875000 0.625000 Mg\n0.250000 0.375000 0.125000 Mg\n0.375001 0.750000 0.125000 Mg\n0.125000 0.250000 0.375000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.750000 0.125000 0.375000 Mg\n0.750001 0.625000 0.875000 Mg\n0.625000 0.250000 0.875000 Mg\n0.875001 0.750000 0.625000 Mg\n0.625001 0.875000 0.750000 Mg\n0.875002 0.625000 0.250000 Mg\n1.000000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000000 Mn\n1.000000 0.500000 0.999999 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.999999 Mn\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.375000 0.625000 0.750000 Si\n0.125001 0.875000 0.250000 Si\n0.625000 0.375000 0.250000 Si\n0.375001 0.250000 0.625000 Si\n0.750001 0.375000 0.625000 Si\n0.125001 0.750000 0.875000 Si\n0.250000 0.125000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.625001 0.750000 0.375000 Si\n0.250000 0.625000 0.375000 Si\n0.750001 0.875000 0.125000 Si\n0.875000 0.125000 0.749999 Si\n0.191207 0.213459 0.589289 O\n0.786542 0.410710 0.808792 O\n0.022252 0.308793 0.898082 O\n0.124170 0.601919 0.910711 O\n0.213459 0.589290 0.191208 O\n0.213459 0.124170 0.022252 O\n0.589290 0.191208 0.213459 O\n0.601918 0.191208 0.477749 O\n0.713459 0.691208 0.089289 O\n0.910712 0.286542 0.308793 O\n0.808793 0.786542 0.410710 O\n0.101918 0.624169 0.410710 O\n0.691208 0.089289 0.713458 O\n0.089289 0.713458 0.691207 O\n0.977750 0.786542 0.875831 O\n0.808794 0.522252 0.398083 O\n0.410710 0.101918 0.624169 O\n0.398082 0.808793 0.522251 O\n0.875832 0.977749 0.786541 O\n0.624169 0.410710 0.101918 O\n0.101919 0.977749 0.691208 O\n0.398082 0.089289 0.875830 O\n0.089290 0.875832 0.398082 O\n0.522251 0.624169 0.713458 O\n0.624169 0.713458 0.522251 O\n0.691207 0.101918 0.977748 O\n0.522251 0.398082 0.808792 O\n0.308793 0.910711 0.286541 O\n0.410712 0.808793 0.786541 O\n0.286542 0.477749 0.375831 O\n0.022251 0.213459 0.124169 O\n0.191208 0.477749 0.601919 O\n0.589289 0.898082 0.375831 O\n0.124170 0.022252 0.213459 O\n0.477750 0.601919 0.191208 O\n0.375832 0.589290 0.898082 O\n0.898082 0.022252 0.308792 O\n0.786542 0.875832 0.977748 O\n0.601919 0.910711 0.124170 O\n0.477748 0.375830 0.286540 O\n0.375830 0.286542 0.477749 O\n0.308793 0.898082 0.022252 O\n0.286542 0.308793 0.910711 O\n0.713459 0.522252 0.624170 O\n0.977750 0.691208 0.101918 O\n0.875832 0.398082 0.089290 O\n0.910711 0.124170 0.601918 O\n0.898082 0.375830 0.589288 O\n","nsites":80,"nelements":4,"elements":["Mg","Mn","Si","O"],"chemical_system":"Mg-Mn-O-Si","density":3.793980549079842,"density_atomic":0.09954629445638383,"volume":803.646187302853,"volume_molar":6.049588076468881,"formula_full":"Mg12 Mn8 Si12 O48","formula_reduced":"Mg3Mn2(SiO4)3","formula_anonymous":"A2B3C3D12","energy_above_hull":2.666210971637931,"spacegroup":230},{"id":"jvasp-92942","created_at":"2022-09-04T14:35:55.158304Z","updated_at":"2022-09-04T14:35:55.158329Z","structure_string":"Mg6 Ga1 Bi1\n1.0\n6.543127 -0.196906 0.000000\n-3.442089 5.568061 0.000000\n0.000000 0.000000 5.196778\nMg Ga Bi\n6 1 1\ndirect\n0.163420 0.828182 0.250000 Mg\n0.671817 0.336579 0.250000 Mg\n0.670462 0.829537 0.250000 Mg\n0.337408 0.652156 0.750000 Mg\n0.847843 0.162592 0.750000 Mg\n0.831093 0.668907 0.750000 Mg\n0.133277 0.366723 0.250000 Ga\n0.344681 0.155319 0.750000 Bi\n","nsites":8,"nelements":3,"elements":["Mg","Ga","Bi"],"chemical_system":"Bi-Ga-Mg","density":3.7939613437754947,"density_atomic":0.043054834805667554,"volume":185.80956206448886,"volume_molar":13.98714171632885,"formula_full":"Mg6 Ga1 Bi1","formula_reduced":"Mg6GaBi","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":38},{"id":"jvasp-122119","created_at":"2022-09-04T14:38:55.251897Z","updated_at":"2022-09-04T14:38:55.251916Z","structure_string":"K2 V4 Ag2 O12\n1.0\n7.194879 -0.019692 1.279032\n0.327103 7.187467 1.279032\n-0.022040 -0.021002 5.829335\nK V Ag O\n2 4 2 12\ndirect\n0.802005 0.197996 0.749999 K\n0.197995 0.802005 0.250000 K\n0.297071 0.123336 0.727131 V\n0.702928 0.876665 0.272867 V\n0.876664 0.702929 0.772867 V\n0.123336 0.297072 0.227132 V\n0.404272 0.595729 0.749999 Ag\n0.595728 0.404272 0.249999 Ag\n0.602375 0.087511 0.207615 O\n0.397624 0.912490 0.792384 O\n0.286379 0.456950 0.157609 O\n0.713621 0.543051 0.842390 O\n0.543050 0.713622 0.342390 O\n0.167046 0.132993 0.485946 O\n0.867007 0.832955 0.014053 O\n0.132993 0.167046 0.985946 O\n0.087511 0.602376 0.707614 O\n0.832954 0.867008 0.514052 O\n0.456949 0.286379 0.657608 O\n0.912489 0.397625 0.292384 O\n","nsites":20,"nelements":4,"elements":["K","V","Ag","O"],"chemical_system":"Ag-K-O-V","density":3.793793102955901,"density_atomic":0.066252074008167,"volume":301.8773419460735,"volume_molar":9.089739227269535,"formula_full":"K2 V4 Ag2 O12","formula_reduced":"KV2AgO6","formula_anonymous":"ABC2D6","energy_above_hull":null,"spacegroup":15},{"id":"jvasp-37301","created_at":"2022-09-04T14:37:54.043783Z","updated_at":"2022-09-04T14:37:54.043824Z","structure_string":"Sr1 Ca3 O4\n1.0\n4.918544 0.000000 0.000000\n0.000000 4.918544 0.000000\n-0.000000 -0.000000 4.918544\nSr Ca O\n1 3 4\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n","nsites":8,"nelements":3,"elements":["Sr","Ca","O"],"chemical_system":"Ca-O-Sr","density":3.793772712008797,"density_atomic":0.067232661617027,"volume":118.98978573196871,"volume_molar":8.957165483501939,"formula_full":"Sr1 Ca3 O4","formula_reduced":"SrCa3O4","formula_anonymous":"AB3C4","energy_above_hull":0.73533519625,"spacegroup":221},{"id":"jvasp-97685","created_at":"2022-09-04T14:36:00.983043Z","updated_at":"2022-09-04T14:36:00.983071Z","structure_string":"Ca12 Mn8 Si12 O48\n1.0\n9.882427 0.000000 -3.493966\n-4.941214 8.558433 -3.493966\n-0.000000 -0.000000 10.481897\nCa Mn Si O\n12 8 12 48\ndirect\n0.875001 0.625000 0.250000 Ca\n0.625001 0.875000 0.749999 Ca\n0.875000 0.749999 0.624999 Ca\n0.625000 0.249999 0.875000 Ca\n0.750001 0.625000 0.875000 Ca\n0.750001 0.125000 0.375000 Ca\n0.250001 0.375000 0.125000 Ca\n0.250000 0.875000 0.624999 Ca\n0.375000 0.749999 0.125000 Ca\n0.125000 0.249999 0.374999 Ca\n0.375001 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 1.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.500000 -0.000000 1.000000 Mn\n0.000000 0.000000 0.500001 Mn\n0.000000 0.500000 1.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250001 0.125000 0.875001 Si\n0.625000 0.749999 0.375000 Si\n0.250000 0.625000 0.374999 Si\n0.375001 0.625000 0.750000 Si\n0.875001 0.125000 0.750000 Si\n0.750001 0.375000 0.625000 Si\n0.125000 0.749999 0.875000 Si\n0.625001 0.375000 0.250000 Si\n0.375000 0.249999 0.625000 Si\n0.750001 0.875000 0.125000 Si\n0.125000 0.875000 0.250000 Si\n0.875000 0.249999 0.125000 Si\n0.194251 0.204795 0.588431 O\n0.795205 0.411569 0.805749 O\n0.010545 0.305749 0.894181 O\n0.116364 0.605820 0.911569 O\n0.204795 0.588431 0.194251 O\n0.204796 0.116364 0.010545 O\n0.588431 0.194251 0.204795 O\n0.605820 0.194251 0.489456 O\n0.704796 0.694250 0.088431 O\n0.911570 0.295205 0.305749 O\n0.805750 0.795205 0.411569 O\n0.105820 0.616363 0.411569 O\n0.694251 0.088431 0.704795 O\n0.088432 0.704795 0.694251 O\n0.989456 0.795205 0.883635 O\n0.805750 0.510545 0.394180 O\n0.411569 0.105820 0.616364 O\n0.394181 0.805749 0.510544 O\n0.883636 0.989455 0.795204 O\n0.616364 0.411569 0.105820 O\n0.105820 0.989455 0.694251 O\n0.394180 0.088431 0.883636 O\n0.088432 0.883636 0.394180 O\n0.510544 0.616363 0.704795 O\n0.616364 0.704795 0.510544 O\n0.694251 0.105820 0.989455 O\n0.510544 0.394180 0.805749 O\n0.305749 0.911568 0.295204 O\n0.411570 0.805749 0.795205 O\n0.295205 0.489455 0.383635 O\n0.010545 0.204795 0.116364 O\n0.194251 0.489455 0.605819 O\n0.588431 0.894180 0.383635 O\n0.116364 0.010545 0.204795 O\n0.489456 0.605820 0.194251 O\n0.383636 0.588431 0.894180 O\n0.894181 0.010545 0.305749 O\n0.795205 0.883636 0.989455 O\n0.605820 0.911568 0.116363 O\n0.489456 0.383636 0.295204 O\n0.383637 0.295205 0.489455 O\n0.305750 0.894180 0.010544 O\n0.295205 0.305749 0.911569 O\n0.704796 0.510545 0.616363 O\n0.989456 0.694250 0.105819 O\n0.883636 0.394180 0.088430 O\n0.911570 0.116364 0.605820 O\n0.894180 0.383636 0.588431 O\n","nsites":80,"nelements":4,"elements":["Ca","Mn","Si","O"],"chemical_system":"Ca-Mn-O-Si","density":3.793763020080778,"density_atomic":0.09023857511521388,"volume":886.5388210957278,"volume_molar":6.673576962303662,"formula_full":"Ca12 Mn8 Si12 O48","formula_reduced":"Ca3Mn2(SiO4)3","formula_anonymous":"A2B3C3D12","energy_above_hull":2.732894177137931,"spacegroup":230},{"id":"jvasp-42521","created_at":"2022-09-04T14:37:50.883800Z","updated_at":"2022-09-04T14:37:50.883819Z","structure_string":"Li4 Ti4 Ni2 O12\n1.0\n5.130907 -0.037658 -0.000000\n-2.611021 4.417032 0.000000\n0.000000 -0.000000 10.253982\nLi Ti Ni O\n4 4 2 12\ndirect\n0.165513 0.665512 0.750000 Li\n0.334488 0.834487 0.250000 Li\n0.665513 0.165512 0.750000 Li\n0.834488 0.334487 0.250000 Li\n0.160180 0.839819 0.500000 Ti\n0.339820 0.660180 0.000000 Ti\n0.660181 0.339819 0.000000 Ti\n0.839820 0.160180 0.500000 Ti\n0.000000 0.000000 0.000000 Ni\n0.500000 0.499999 0.500000 Ni\n0.504904 0.142431 0.391062 O\n0.844786 0.844785 0.398445 O\n0.357569 0.995095 0.891062 O\n0.655214 0.655213 0.898444 O\n0.344786 0.344786 0.101555 O\n0.004904 0.642431 0.108937 O\n0.495096 0.857568 0.608937 O\n0.142431 0.504904 0.391062 O\n0.995096 0.357568 0.891062 O\n0.857569 0.495095 0.608937 O\n0.155214 0.155214 0.601555 O\n0.642431 0.004904 0.108937 O\n","nsites":22,"nelements":4,"elements":["Li","Ti","Ni","O"],"chemical_system":"Li-Ni-O-Ti","density":3.7936463920265986,"density_atomic":0.09508100023450072,"volume":231.3816634841959,"volume_molar":6.33369521265809,"formula_full":"Li4 Ti4 Ni2 O12","formula_reduced":"Li2Ti2NiO6","formula_anonymous":"AB2C2D6","energy_above_hull":2.4742209151515158,"spacegroup":64}]}