{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=4420","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=4418","results":[{"id":"jvasp-15909","created_at":"2022-09-04T14:37:50.397363Z","updated_at":"2022-09-04T14:37:50.397385Z","structure_string":"Li1 Mg1 P1\n1.0\n3.523963 0.000000 2.034561\n1.174654 3.322424 2.034561\n-0.000000 -0.000000 4.069122\nLi Mg P\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.499999 0.499999 0.500000 Mg\n0.000000 0.000000 0.000000 P\n","nsites":3,"nelements":3,"elements":["Li","Mg","P"],"chemical_system":"Li-Mg-P","density":2.1686543455415865,"density_atomic":0.06297006600483468,"volume":47.64168422135158,"volume_molar":9.563497614148341,"formula_full":"Li1 Mg1 P1","formula_reduced":"LiMgP","formula_anonymous":"ABC","energy_above_hull":0.6635348500000001,"spacegroup":216},{"id":"jvasp-63191","created_at":"2022-09-04T14:36:21.835181Z","updated_at":"2022-09-04T14:36:21.835197Z","structure_string":"Li2 B2 C2\n1.0\n1.372108 -2.376561 0.000000\n1.372108 2.376561 -0.000000\n0.000000 0.000000 6.988958\nLi B C\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333334 0.666668 0.750000 B\n0.666668 0.333334 0.250000 B\n0.333334 0.666668 0.250000 C\n0.666668 0.333334 0.750000 C\n","nsites":6,"nelements":3,"elements":["Li","B","C"],"chemical_system":"B-C-Li","density":2.1685614404356173,"density_atomic":0.1316350557461993,"volume":45.580563368836785,"volume_molar":4.574876142120582,"formula_full":"Li2 B2 C2","formula_reduced":"LiBC","formula_anonymous":"ABC","energy_above_hull":3.157474194444444,"spacegroup":194},{"id":"jvasp-3273","created_at":"2022-09-04T14:36:15.898492Z","updated_at":"2022-09-04T14:36:15.898500Z","structure_string":"K6 As2\n1.0\n2.884805 -4.996629 0.000000\n2.884805 4.996629 0.000000\n0.000000 0.000000 10.213388\nK As\n6 2\ndirect\n0.333332 0.666666 0.919554 K\n0.666666 0.333332 0.419553 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.333332 0.666666 0.580447 K\n0.666666 0.333332 0.080447 K\n0.666666 0.333332 0.750000 As\n0.333332 0.666666 0.250000 As\n","nsites":8,"nelements":2,"elements":["K","As"],"chemical_system":"As-K","density":2.168085302721157,"density_atomic":0.027170435164902224,"volume":294.43768388126915,"volume_molar":22.164314717267324,"formula_full":"K6 As2","formula_reduced":"K3As","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":194},{"id":"jvasp-51480","created_at":"2022-09-04T14:37:30.396837Z","updated_at":"2022-09-04T14:37:30.396847Z","structure_string":"V4 O8\n1.0\n0.000000 4.859527 0.109801\n6.652103 0.000000 0.000000\n0.000000 -1.112546 -7.888105\nV O\n4 8\ndirect\n0.654400 0.000000 0.219294 V\n0.345600 0.000000 0.780706 V\n0.000000 0.165164 0.000000 V\n0.000000 0.834835 0.000000 V\n0.268361 0.000000 0.142094 O\n0.731639 0.000000 0.857907 O\n0.226457 0.756802 0.853364 O\n0.773543 0.756802 0.146637 O\n0.773543 0.243198 0.146637 O\n0.226457 0.243198 0.853364 O\n0.269759 0.000000 0.577622 O\n0.730241 0.000000 0.422378 O\n","nsites":12,"nelements":2,"elements":["V","O"],"chemical_system":"O-V","density":2.1673810489435734,"density_atomic":0.047210850799208226,"volume":254.17885500596088,"volume_molar":12.75584035884606,"formula_full":"V4 O8","formula_reduced":"VO2","formula_anonymous":"AB2","energy_above_hull":2.006940400000001,"spacegroup":10},{"id":"jvasp-118118","created_at":"2022-09-04T14:38:47.393177Z","updated_at":"2022-09-04T14:38:47.393198Z","structure_string":"P1 S1 Cl2\n1.0\n4.435352 -0.000000 0.000000\n-0.000000 4.435352 0.000000\n-0.000000 -0.000000 5.216651\nP S Cl\n1 1 2\ndirect\n0.500000 0.500000 0.507503 P\n0.000000 0.000000 -0.000634 S\n0.000000 0.000000 0.617597 Cl\n0.500000 0.500000 -0.114467 Cl\n","nsites":4,"nelements":3,"elements":["P","S","Cl"],"chemical_system":"Cl-P-S","density":2.167339095797981,"density_atomic":0.038977324440823045,"volume":102.62377054825716,"volume_molar":15.450369789088676,"formula_full":"P1 S1 Cl2","formula_reduced":"PSCl2","formula_anonymous":"ABC2","energy_above_hull":1.3633159087500002,"spacegroup":99},{"id":"jvasp-91933","created_at":"2022-09-04T14:35:55.489523Z","updated_at":"2022-09-04T14:35:55.489545Z","structure_string":"Si8\n1.0\n-0.000000 3.882834 -0.000000\n-0.376562 -0.000000 6.389180\n6.963735 -1.941418 -0.412851\nSi\n8\ndirect\n0.055386 0.873919 0.110771 Si\n0.944613 0.126082 0.889230 Si\n0.558828 0.653435 0.117657 Si\n0.441171 0.346565 0.882344 Si\n0.212659 0.057438 0.425317 Si\n0.787340 0.942562 0.574684 Si\n0.727195 0.585506 0.454393 Si\n0.272804 0.414495 0.545608 Si\n","nsites":8,"nelements":1,"elements":["Si"],"chemical_system":"Si","density":2.1672310373615513,"density_atomic":0.04647013715597855,"volume":172.15356978929793,"volume_molar":12.959162870095446,"formula_full":"Si8","formula_reduced":"Si","formula_anonymous":"A","energy_above_hull":0.0858699999999998,"spacegroup":12},{"id":"jvasp-85508","created_at":"2022-09-04T14:35:42.869843Z","updated_at":"2022-09-04T14:35:42.869872Z","structure_string":"Si4 H4 O10\n1.0\n-3.243161 7.093933 1.784433\n3.106665 -7.509089 2.949878\n3.080188 7.490250 -3.083996\nSi H O\n4 4 10\ndirect\n0.654219 0.139425 0.717155 Si\n0.356979 0.880144 0.325852 Si\n0.844179 0.055065 0.017918 Si\n0.156335 0.958400 0.000217 Si\n0.140140 0.613421 0.484873 H\n0.667995 0.841886 0.647433 H\n0.464554 0.457156 0.657679 H\n0.166779 0.043701 0.325788 H\n0.308973 0.096263 0.462756 O\n0.730813 -0.049933 0.589809 O\n0.926966 0.518167 0.764610 O\n0.698913 0.069332 0.251478 O\n0.352220 0.847430 0.510624 O\n0.510412 0.175686 0.949323 O\n0.067220 0.051965 -0.027313 O\n0.576587 0.721385 0.786954 O\n0.069695 0.444404 0.102478 O\n0.116615 0.054561 0.251637 O\n","nsites":18,"nelements":3,"elements":["Si","H","O"],"chemical_system":"H-O-Si","density":2.167035146529355,"density_atomic":0.08499668427242876,"volume":211.77296684076467,"volume_molar":7.085147863766096,"formula_full":"Si4 H4 O10","formula_reduced":"Si2H2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.846526077777777,"spacegroup":1},{"id":"jvasp-115289","created_at":"2022-09-04T14:38:43.507595Z","updated_at":"2022-09-04T14:38:43.507622Z","structure_string":"Ti1 Pb1 O1\n1.0\n6.604132 -0.000000 0.000000\n-0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nTi Pb O\n1 1 1\ndirect\n-0.075275 -0.015677 0.000000 Ti\n-0.000436 0.339595 0.000000 Pb\n0.278842 -0.000148 0.000000 O\n","nsites":3,"nelements":3,"elements":["Ti","Pb","O"],"chemical_system":"O-Pb-Ti","density":2.166953756892074,"density_atomic":0.01444262425987646,"volume":207.7184828753318,"volume_molar":41.696998077629914,"formula_full":"Ti1 Pb1 O1","formula_reduced":"TiPbO","formula_anonymous":"ABC","energy_above_hull":2.4263708844444447,"spacegroup":6},{"id":"jvasp-29779","created_at":"2022-09-04T14:38:07.896867Z","updated_at":"2022-09-04T14:38:07.896893Z","structure_string":"C8\n1.0\n4.260038 -0.419926 0.000000\n-1.040691 4.152253 -0.000000\n0.000000 0.000000 4.268747\nC\n8\ndirect\n0.250000 0.250000 0.166664 C\n0.500006 0.499994 0.666665 C\n0.750000 0.749999 0.166664 C\n0.250000 0.250000 0.833337 C\n0.750000 0.749999 0.833337 C\n-0.000005 0.000005 0.666665 C\n0.499995 0.500005 0.333336 C\n0.000005 -0.000005 0.333336 C\n","nsites":8,"nelements":1,"elements":["C"],"chemical_system":"C","density":2.166576481153188,"density_atomic":0.10863170790477572,"volume":73.64332343014097,"volume_molar":5.543630746631437,"formula_full":"C8","formula_reduced":"C","formula_anonymous":"A","energy_above_hull":0.0136800000000008,"spacegroup":191},{"id":"jvasp-71499","created_at":"2022-09-04T14:35:48.150161Z","updated_at":"2022-09-04T14:35:48.150173Z","structure_string":"K2 Be1 Ge1\n1.0\n3.507759 -0.000000 0.000000\n0.000000 3.507759 0.000000\n-0.000000 0.000000 9.957175\nK Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.919569 K\n0.500000 0.500000 0.324564 K\n0.000000 0.000000 0.605397 Be\n0.500000 0.500000 0.650470 Ge\n","nsites":4,"nelements":3,"elements":["K","Be","Ge"],"chemical_system":"Be-Ge-K","density":2.1665204546839525,"density_atomic":0.03264858444034877,"volume":122.51679723843088,"volume_molar":18.44533496085525,"formula_full":"K2 Be1 Ge1","formula_reduced":"K2BeGe","formula_anonymous":"ABC2","energy_above_hull":0.2801470124999999,"spacegroup":99},{"id":"jvasp-52829","created_at":"2022-09-04T14:36:22.222791Z","updated_at":"2022-09-04T14:36:22.222818Z","structure_string":"K8 Zn4 H16\n1.0\n5.776211 -0.000000 0.000000\n-0.000000 7.701555 0.000000\n0.000000 0.000000 10.175195\nK Zn H\n8 4 16\ndirect\n0.750000 0.340169 0.092854 K\n0.750000 0.840169 0.407147 K\n0.250000 0.659830 0.907147 K\n0.250000 0.159830 0.592854 K\n0.750000 0.015642 0.812853 K\n0.750000 0.515641 0.687148 K\n0.250000 0.984358 0.187148 K\n0.250000 0.484358 0.312852 K\n0.250000 0.236692 0.918685 Zn\n0.250000 0.736692 0.581316 Zn\n0.750000 0.763307 0.081316 Zn\n0.750000 0.263308 0.418685 Zn\n0.750000 0.192553 0.574406 H\n0.750000 0.692553 0.925595 H\n0.250000 0.021501 0.910167 H\n0.250000 0.521501 0.589834 H\n0.750000 0.978498 0.089834 H\n0.750000 0.478498 0.410166 H\n0.985081 0.683642 0.154146 H\n0.514919 0.683642 0.154146 H\n0.485081 0.316358 0.845855 H\n0.014919 0.816357 0.654146 H\n0.014919 0.316358 0.845855 H\n0.485081 0.816357 0.654146 H\n0.250000 0.307447 0.074405 H\n0.985081 0.183642 0.345855 H\n0.514919 0.183642 0.345855 H\n0.250000 0.807446 0.425595 H\n","nsites":28,"nelements":3,"elements":["K","Zn","H"],"chemical_system":"H-K-Zn","density":2.16641247620277,"density_atomic":0.061857707400723376,"volume":452.6517579872765,"volume_molar":9.735473578074403,"formula_full":"K8 Zn4 H16","formula_reduced":"K2ZnH4","formula_anonymous":"AB2C4","energy_above_hull":1.0723709142857143,"spacegroup":62},{"id":"jvasp-58900","created_at":"2022-09-04T14:37:02.778347Z","updated_at":"2022-09-04T14:37:02.778368Z","structure_string":"Na12 B4 N8\n1.0\n0.000000 5.703827 -0.003726\n7.933479 0.000000 0.000000\n0.000000 -2.857523 -7.302171\nNa B N\n12 4 8\ndirect\n0.741773 0.708278 0.813446 Na\n0.748629 0.031133 0.008053 Na\n0.748630 0.468868 0.508053 Na\n0.251372 0.968868 0.991948 Na\n0.240328 0.980291 0.377731 Na\n0.759673 0.480291 0.122270 Na\n0.251372 0.531133 0.491948 Na\n0.240328 0.519709 0.877730 Na\n0.741772 0.791723 0.313446 Na\n0.258229 0.291723 0.186554 Na\n0.258229 0.208277 0.686554 Na\n0.759674 0.019709 0.622270 Na\n0.213979 0.821702 0.676369 B\n0.786022 0.178298 0.323632 B\n0.213978 0.678298 0.176369 B\n0.786023 0.321702 0.823632 B\n0.583376 0.424759 0.776740 N\n0.583376 0.075242 0.276740 N\n0.010143 0.779907 0.129845 N\n0.416625 0.924759 0.723260 N\n0.416625 0.575242 0.223260 N\n0.989858 0.279907 0.370155 N\n0.989858 0.220093 0.870155 N\n0.010143 0.720093 0.629845 N\n","nsites":24,"nelements":3,"elements":["Na","B","N"],"chemical_system":"B-N-Na","density":2.1662544827949715,"density_atomic":0.07261364146362344,"volume":330.51640871120685,"volume_molar":8.293401403119075,"formula_full":"Na12 B4 N8","formula_reduced":"Na3BN2","formula_anonymous":"AB2C3","energy_above_hull":2.2304926805555554,"spacegroup":14}]}