{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-structure_string&page=576","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-structure_string&page=574","results":[{"id":"jvasp-39824","created_at":"2022-09-04T14:37:41.366649Z","updated_at":"2022-09-04T14:37:41.366661Z","structure_string":"Ti3 Tl1\n1.0\n-2.029995 2.029995 4.403230\n2.029995 -2.029995 4.403230\n2.029995 2.029995 -4.403230\nTi Tl\n3 1\ndirect\n0.749999 0.250000 0.499999 Ti\n0.250000 0.749999 0.499999 Ti\n0.499999 0.499999 0.000000 Ti\n0.000000 0.000000 0.000000 Tl\n","nsites":4,"nelements":2,"elements":["Ti","Tl"],"chemical_system":"Ti-Tl","density":7.961363417137082,"density_atomic":0.05511105087911458,"volume":72.58072448616433,"volume_molar":10.927283482961506,"formula_full":"Ti3 Tl1","formula_reduced":"Ti3Tl","formula_anonymous":"AB3","energy_above_hull":2.7092444,"spacegroup":139},{"id":"jvasp-17311","created_at":"2022-09-04T14:37:56.697533Z","updated_at":"2022-09-04T14:37:56.697543Z","structure_string":"Ti3 Te4\n1.0\n3.708767 -0.000000 -0.991002\n-0.861028 6.186465 -3.222345\n0.012356 -0.049652 7.481664\nTi Te\n3 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.752149 0.706673 0.504296 Ti\n0.247853 0.293328 0.495704 Ti\n0.633717 0.960245 0.267433 Te\n0.366285 0.039757 0.732567 Te\n0.108681 0.450623 0.217361 Te\n0.891321 0.549378 0.782639 Te\n","nsites":7,"nelements":2,"elements":["Ti","Te"],"chemical_system":"Te-Ti","density":6.347114019189472,"density_atomic":0.04091163444639415,"volume":171.10047287824653,"volume_molar":14.719873311076613,"formula_full":"Ti3 Te4","formula_reduced":"Ti3Te4","formula_anonymous":"A3B4","energy_above_hull":2.361876580952381,"spacegroup":12},{"id":"jvasp-102175","created_at":"2022-09-04T14:37:00.719763Z","updated_at":"2022-09-04T14:37:00.719786Z","structure_string":"Ti3 Te2 Se2\n1.0\n6.401131 -0.029283 3.150186\n5.328661 3.546930 3.150186\n-0.014406 -0.004320 6.784467\nTi Te Se\n3 2 2\ndirect\n0.252722 0.252723 0.809797 Ti\n0.747277 0.747278 0.190205 Ti\n0.000000 0.000000 0.000000 Ti\n0.367545 0.367546 0.315911 Te\n0.632453 0.632455 0.684091 Te\n0.114028 0.114029 0.215730 Se\n0.885970 0.885972 0.784272 Se\n","nsites":7,"nelements":3,"elements":["Ti","Te","Se"],"chemical_system":"Se-Te-Ti","density":5.953769967949828,"density_atomic":0.04508202235667697,"volume":155.27253734577081,"volume_molar":13.358186800836979,"formula_full":"Ti3 Te2 Se2","formula_reduced":"Ti3(TeSe)2","formula_anonymous":"A2B2C3","energy_above_hull":2.4820610380952384,"spacegroup":12},{"id":"jvasp-43094","created_at":"2022-09-04T14:36:13.681370Z","updated_at":"2022-09-04T14:36:13.681380Z","structure_string":"Ti3 Te1 O8\n1.0\n5.404295 0.126340 0.021964\n1.260056 5.156529 0.051967\n0.547055 0.514614 7.329887\nTi Te O\n3 1 8\ndirect\n0.879070 0.011431 0.881017 Ti\n0.614476 0.493779 0.373383 Ti\n0.398147 0.010556 0.622588 Ti\n0.187547 0.395565 0.117085 Te\n0.040299 0.662085 0.935410 O\n0.955403 0.513190 0.318097 O\n0.539202 0.063975 0.828365 O\n0.519688 0.182560 0.420229 O\n0.503792 0.666916 0.580559 O\n0.408280 0.638767 0.192667 O\n0.049684 0.107200 0.671040 O\n0.904405 0.205573 0.059562 O\n","nsites":12,"nelements":3,"elements":["Ti","Te","O"],"chemical_system":"O-Te-Ti","density":3.266881338583079,"density_atomic":0.059139699047125106,"volume":202.9093856300803,"volume_molar":10.182907348245541,"formula_full":"Ti3 Te1 O8","formula_reduced":"Ti3TeO8","formula_anonymous":"AB3C8","energy_above_hull":3.006891730555556,"spacegroup":1},{"id":"jvasp-52225","created_at":"2022-09-04T14:36:57.207093Z","updated_at":"2022-09-04T14:36:57.207115Z","structure_string":"Ti3 Sn3 O12\n1.0\n-4.753801 4.753801 3.121831\n-0.019806 4.730300 -3.116004\n-4.730300 0.019806 -3.116004\nTi Sn O\n3 3 12\ndirect\n0.687409 0.324143 0.324143 Ti\n0.179629 0.344728 0.344728 Ti\n0.998405 0.003942 0.003942 Ti\n0.833703 0.663170 0.663170 Sn\n0.329927 0.668123 0.668123 Sn\n0.497553 0.001487 0.001487 Sn\n0.010623 0.294609 0.691605 O\n0.660067 0.625782 0.033471 O\n0.025706 0.779201 0.779201 O\n0.370851 0.429776 0.429776 O\n0.711406 0.099696 0.099696 O\n0.284651 0.906677 0.906677 O\n0.634278 0.552417 0.552417 O\n0.323632 0.984007 0.367613 O\n0.660067 0.033471 0.625782 O\n0.323632 0.367613 0.984007 O\n0.957845 0.229547 0.229547 O\n0.010623 0.691605 0.294609 O\n","nsites":18,"nelements":3,"elements":["Ti","Sn","O"],"chemical_system":"O-Sn-Ti","density":5.485259137332667,"density_atomic":0.08595830410160268,"volume":209.40385211327583,"volume_molar":7.005885961735393,"formula_full":"Ti3 Sn3 O12","formula_reduced":"TiSnO4","formula_anonymous":"ABC4","energy_above_hull":2.152769005555556,"spacegroup":8},{"id":"jvasp-53964","created_at":"2022-09-04T14:35:51.373291Z","updated_at":"2022-09-04T14:35:51.373314Z","structure_string":"Ti3 Sn1 H1\n1.0\n4.166383 -0.000000 0.000000\n-0.000000 4.166383 -0.000000\n0.000000 -0.000000 4.166383\nTi Sn H\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 H\n","nsites":5,"nelements":3,"elements":["Ti","Sn","H"],"chemical_system":"H-Sn-Ti","density":6.045797881451433,"density_atomic":0.06913411899119823,"volume":72.32318966321928,"volume_molar":8.71080856728167,"formula_full":"Ti3 Sn1 H1","formula_reduced":"Ti3SnH","formula_anonymous":"ABC3","energy_above_hull":3.0054533399999994,"spacegroup":221},{"id":"jvasp-56579","created_at":"2022-09-04T14:38:19.805742Z","updated_at":"2022-09-04T14:38:19.805765Z","structure_string":"Ti3 Sn1\n1.0\n4.152459 0.000000 0.000000\n0.000000 4.152459 0.000000\n-0.000000 -0.000000 4.152459\nTi Sn\n3 1\ndirect\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Sn\n","nsites":4,"nelements":2,"elements":["Ti","Sn"],"chemical_system":"Sn-Ti","density":6.083444374983527,"density_atomic":0.05586553113585236,"volume":71.60050067854726,"volume_molar":10.779707339317177,"formula_full":"Ti3 Sn1","formula_reduced":"Ti3Sn","formula_anonymous":"AB3","energy_above_hull":2.9079316750000004,"spacegroup":221},{"id":"jvasp-37039","created_at":"2022-09-04T14:35:47.538191Z","updated_at":"2022-09-04T14:35:47.538214Z","structure_string":"Ti3 Sn1\n1.0\n3.289745 3.289745 0.000000\n3.289745 0.000000 -3.289745\n-0.000000 3.289745 -3.289745\nTi Sn\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Sn\n","nsites":4,"nelements":2,"elements":["Ti","Sn"],"chemical_system":"Sn-Ti","density":6.117146735932555,"density_atomic":0.056175026904843384,"volume":71.20601841056033,"volume_molar":10.720316645688646,"formula_full":"Ti3 Sn1","formula_reduced":"Ti3Sn","formula_anonymous":"AB3","energy_above_hull":2.9275941750000003,"spacegroup":225},{"id":"jvasp-37041","created_at":"2022-09-04T14:38:07.103199Z","updated_at":"2022-09-04T14:38:07.103219Z","structure_string":"Ti3 Si1\n1.0\n3.140323 3.140323 -0.000000\n3.140323 -0.000000 -3.140323\n-0.000000 3.140323 -3.140323\nTi Si\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Si\n","nsites":4,"nelements":2,"elements":["Ti","Si"],"chemical_system":"Si-Ti","density":4.602907940276071,"density_atomic":0.06458133756875092,"volume":61.93739787042575,"volume_molar":9.324893207095702,"formula_full":"Ti3 Si1","formula_reduced":"Ti3Si","formula_anonymous":"AB3","energy_above_hull":3.5767334,"spacegroup":225},{"id":"jvasp-94868","created_at":"2022-09-04T14:35:45.854537Z","updated_at":"2022-09-04T14:35:45.854564Z","structure_string":"Ti3 Se4\n1.0\n-0.000000 3.553737 -0.000000\n0.009687 -0.000000 6.438358\n6.032487 -1.776869 -3.157226\nTi Se\n3 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.748238 0.708185 0.496475 Ti\n0.251763 0.291815 0.503526 Ti\n0.632723 0.964183 0.265445 Se\n0.367278 0.035817 0.734556 Se\n0.888118 0.550372 0.776235 Se\n0.111883 0.449628 0.223766 Se\n","nsites":7,"nelements":2,"elements":["Ti","Se"],"chemical_system":"Se-Ti","density":5.5230655128009944,"density_atomic":0.05067565709067833,"volume":138.13338399291587,"volume_molar":11.883695458006716,"formula_full":"Ti3 Se4","formula_reduced":"Ti3Se4","formula_anonymous":"A3B4","energy_above_hull":2.6052926380952384,"spacegroup":12},{"id":"jvasp-101687","created_at":"2022-09-04T14:36:49.057924Z","updated_at":"2022-09-04T14:36:49.057940Z","structure_string":"Ti3 Se2 S4\n1.0\n3.452714 0.000000 0.000000\n-1.726357 2.990138 0.000000\n-0.000000 -0.000000 17.652119\nTi Se S\n3 2 4\ndirect\n0.666666 0.333334 0.009709 Ti\n0.666666 0.333334 0.330035 Ti\n0.666666 0.333334 0.670768 Ti\n0.333333 0.666667 0.578322 Se\n0.333333 0.666667 0.917089 Se\n0.000000 0.000000 0.086365 S\n0.000000 0.000000 0.409738 S\n0.000000 0.000000 0.747744 S\n0.333333 0.666667 0.250231 S\n","nsites":9,"nelements":3,"elements":["Ti","Se","S"],"chemical_system":"S-Se-Ti","density":3.9160445606494934,"density_atomic":0.04938485977121381,"volume":182.24208880402765,"volume_molar":12.19430567971416,"formula_full":"Ti3 Se2 S4","formula_reduced":"Ti3(SeS2)2","formula_anonymous":"A2B3C4","energy_above_hull":2.7226168592592592,"spacegroup":156},{"id":"jvasp-108064","created_at":"2022-09-04T14:35:53.272160Z","updated_at":"2022-09-04T14:35:53.272185Z","structure_string":"Ti3 Se1\n1.0\n3.200137 0.000000 0.000000\n-1.600068 2.771400 0.000000\n0.000000 0.000000 7.895255\nTi Se\n3 1\ndirect\n0.666667 0.333333 0.229995 Ti\n0.666667 0.333333 0.770005 Ti\n0.000000 0.000000 0.500000 Ti\n0.333333 0.666667 -0.000000 Se\n","nsites":4,"nelements":2,"elements":["Ti","Se"],"chemical_system":"Se-Ti","density":5.277937174445261,"density_atomic":0.057124978047241114,"volume":70.02190874702984,"volume_molar":10.542044768962223,"formula_full":"Ti3 Se1","formula_reduced":"Ti3Se","formula_anonymous":"AB3","energy_above_hull":3.095994591666667,"spacegroup":187}]}