{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=4321","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=4319","results":[{"id":"jvasp-115713","created_at":"2022-09-04T14:38:45.828682Z","updated_at":"2022-09-04T14:38:45.828712Z","structure_string":"Rb1 Pd1 Br1\n1.0\n4.688322 -0.944941 0.000000\n-1.203239 6.098997 0.000000\n0.000000 0.000000 3.882272\nRb Pd Br\n1 1 1\ndirect\n0.121005 0.459345 0.000000 Rb\n0.399131 0.016925 0.000000 Pd\n-0.163766 -0.109195 0.000000 Br\n","nsites":3,"nelements":3,"elements":["Rb","Pd","Br"],"chemical_system":"Br-Pd-Rb","density":4.233945524127751,"density_atomic":0.028143692258501534,"volume":106.59582163011223,"volume_molar":21.39783474281295,"formula_full":"Rb1 Pd1 Br1","formula_reduced":"RbPdBr","formula_anonymous":"ABC","energy_above_hull":0.1534916166666666,"spacegroup":38},{"id":"jvasp-113432","created_at":"2022-09-04T14:38:45.831662Z","updated_at":"2022-09-04T14:38:45.831688Z","structure_string":"Cu1 B1 S2\n1.0\n1.585993 0.915674 6.214525\n-1.585993 0.915674 6.214525\n-0.000000 -1.831347 6.214525\nCu B S\n1 1 2\ndirect\n0.845806 0.845806 0.845810 Cu\n0.007520 0.007520 0.007520 B\n0.728073 0.728073 0.728077 S\n0.265597 0.265597 0.265598 S\n","nsites":4,"nelements":3,"elements":["Cu","B","S"],"chemical_system":"B-Cu-S","density":4.2467522358322185,"density_atomic":0.07386842012857339,"volume":54.15033911700978,"volume_molar":8.152524109109175,"formula_full":"Cu1 B1 S2","formula_reduced":"CuBS2","formula_anonymous":"ABC2","energy_above_hull":2.008748258333333,"spacegroup":160},{"id":"jvasp-117167","created_at":"2022-09-04T14:38:45.837139Z","updated_at":"2022-09-04T14:38:45.837167Z","structure_string":"Ti1 Ag2 I6 O18\n1.0\n7.269098 -0.034866 -0.766995\n-0.848538 7.219487 -0.766995\n-0.031158 -0.034866 7.309384\nTi Ag I O\n1 2 6 18\ndirect\n0.000000 0.000000 0.000000 Ti\n0.682623 0.682622 0.682621 Ag\n0.317377 0.317377 0.317377 Ag\n0.380696 0.162211 0.779669 I\n0.779670 0.380696 0.162211 I\n0.162212 0.779670 0.380696 I\n0.619303 0.837788 0.220329 I\n0.220330 0.619303 0.837787 I\n0.837788 0.220329 0.619303 I\n0.567431 0.211538 0.129381 O\n0.810240 0.446469 0.416985 O\n0.583014 0.189759 0.553529 O\n0.553530 0.583014 0.189759 O\n0.189759 0.553530 0.583013 O\n0.129382 0.567431 0.211538 O\n0.211538 0.129382 0.567430 O\n0.870618 0.432568 0.788461 O\n0.187533 0.188548 0.935750 O\n0.432569 0.788462 0.870617 O\n0.188549 0.935751 0.187533 O\n0.446470 0.416986 0.810239 O\n0.935751 0.187533 0.188548 O\n0.811451 0.064248 0.812465 O\n0.812466 0.811451 0.064248 O\n0.064248 0.812466 0.811450 O\n0.788462 0.870618 0.432568 O\n0.416986 0.810240 0.446469 O\n","nsites":27,"nelements":4,"elements":["Ti","Ag","I","O"],"chemical_system":"Ag-I-O-Ti","density":5.6929850170521545,"density_atomic":0.07049909760556974,"volume":382.98362556440554,"volume_molar":8.542152970088832,"formula_full":"Ti1 Ag2 I6 O18","formula_reduced":"TiAg2(IO3)6","formula_anonymous":"AB2C6D18","energy_above_hull":2.098728648271605,"spacegroup":148},{"id":"jvasp-120563","created_at":"2022-09-04T14:38:45.838069Z","updated_at":"2022-09-04T14:38:45.838098Z","structure_string":"Ba6 Al6 N10\n1.0\n5.814791 -0.005311 -1.126054\n-1.366943 7.081934 -2.452147\n0.000530 -0.001839 8.845824\nBa Al N\n6 6 10\ndirect\n0.807221 0.426174 0.607980 Ba\n0.192780 0.573825 0.392020 Ba\n0.665456 0.855310 0.881161 Ba\n0.334544 0.144689 0.118838 Ba\n0.662484 0.658320 0.216270 Ba\n0.337516 0.341680 0.783730 Ba\n0.900210 0.107687 0.292092 Al\n0.302401 0.029434 0.419331 Al\n0.099790 0.892312 0.707907 Al\n0.085067 0.680423 0.022886 Al\n0.914933 0.319576 0.977114 Al\n0.697599 0.970566 0.580669 Al\n0.187792 0.780250 0.868755 N\n0.936520 0.111234 0.781690 N\n0.063480 0.888766 0.218309 N\n0.819971 0.744670 0.545346 N\n0.180029 0.255329 0.454653 N\n0.781599 0.515705 0.921410 N\n0.218401 0.484294 0.078589 N\n0.369368 0.953338 0.610602 N\n0.630632 0.046662 0.389398 N\n0.812208 0.219749 0.131245 N\n","nsites":22,"nelements":3,"elements":["Ba","Al","N"],"chemical_system":"Al-Ba-N","density":5.133786897305102,"density_atomic":0.06040940650473596,"volume":364.18169409221474,"volume_molar":9.968879200175353,"formula_full":"Ba6 Al6 N10","formula_reduced":"Ba3Al3N5","formula_anonymous":"A3B3C5","energy_above_hull":3.2052838690909087,"spacegroup":2},{"id":"jvasp-115246","created_at":"2022-09-04T14:38:45.841177Z","updated_at":"2022-09-04T14:38:45.841206Z","structure_string":"Na1 Mo1 O1\n1.0\n2.783668 -0.000000 -0.000000\n0.000000 2.783668 -0.000000\n-0.000000 -0.000000 6.915695\nNa Mo O\n1 1 1\ndirect\n0.000000 0.000000 0.694508 Na\n0.000000 0.000000 0.252531 Mo\n0.000000 0.000000 0.002665 O\n","nsites":3,"nelements":3,"elements":["Na","Mo","O"],"chemical_system":"Mo-Na-O","density":4.181039191857991,"density_atomic":0.055982275766250214,"volume":53.58838952039525,"volume_molar":10.757227493117638,"formula_full":"Na1 Mo1 O1","formula_reduced":"NaMoO","formula_anonymous":"ABC","energy_above_hull":2.1490861333333333,"spacegroup":99},{"id":"jvasp-113015","created_at":"2022-09-04T14:38:45.845891Z","updated_at":"2022-09-04T14:38:45.845919Z","structure_string":"La6 Ta2 Cl12 O8\n1.0\n12.878475 -0.000000 0.000000\n-6.439238 11.153086 0.000000\n-0.000000 -0.000000 4.010105\nLa Ta Cl O\n6 2 12 8\ndirect\n0.281442 0.396008 0.250000 La\n0.718557 0.603992 0.749999 La\n0.603992 0.885434 0.250000 La\n0.396008 0.114566 0.749999 La\n0.114566 0.718558 0.250000 La\n0.885434 0.281442 0.749999 La\n0.666666 0.333333 0.250000 Ta\n0.333333 0.666667 0.749999 Ta\n0.101572 0.245713 0.749999 Cl\n0.898427 0.754287 0.250000 Cl\n0.144141 0.898428 0.749999 Cl\n0.855859 0.101572 0.250000 Cl\n0.754287 0.855860 0.749999 Cl\n0.245713 0.144141 0.250000 Cl\n0.626529 0.072294 0.749999 Cl\n0.373470 0.927706 0.250000 Cl\n0.445764 0.373471 0.749999 Cl\n0.554235 0.626530 0.250000 Cl\n0.927706 0.554236 0.749999 Cl\n0.072294 0.445765 0.250000 Cl\n0.507682 0.200484 0.250000 O\n0.492317 0.799516 0.749999 O\n0.799516 0.307199 0.250000 O\n0.200484 0.692801 0.749999 O\n0.692801 0.492318 0.250000 O\n0.307199 0.507683 0.749999 O\n0.333333 0.666667 0.250000 O\n0.666666 0.333333 0.749999 O\n","nsites":28,"nelements":4,"elements":["La","Ta","Cl","O"],"chemical_system":"Cl-La-O-Ta","density":5.041549310017868,"density_atomic":0.048611922496823196,"volume":575.9903859352571,"volume_molar":12.388197073245866,"formula_full":"La6 Ta2 Cl12 O8","formula_reduced":"La3Ta(Cl3O2)2","formula_anonymous":"AB3C4D6","energy_above_hull":1.7833173289285718,"spacegroup":176},{"id":"jvasp-118601","created_at":"2022-09-04T14:38:45.846645Z","updated_at":"2022-09-04T14:38:45.846670Z","structure_string":"Li1 Ag2\n1.0\n4.515937 0.000000 -1.668317\n0.000000 2.734905 0.000000\n-0.811817 0.000000 4.744695\nLi Ag\n1 2\ndirect\n0.083382 0.000000 0.411181 Li\n-0.249978 0.000000 -0.255551 Ag\n0.416606 0.000000 0.077775 Ag\n","nsites":3,"nelements":2,"elements":["Li","Ag"],"chemical_system":"Ag-Li","density":6.735723000763525,"density_atomic":0.05464875022564311,"volume":54.896040396405894,"volume_molar":11.019722747793416,"formula_full":"Li1 Ag2","formula_reduced":"LiAg2","formula_anonymous":"AB2","energy_above_hull":0.0971111111111111,"spacegroup":191},{"id":"jvasp-116819","created_at":"2022-09-04T14:38:45.848390Z","updated_at":"2022-09-04T14:38:45.848423Z","structure_string":"Li3 V2 Fe3 O10\n1.0\n4.779925 -0.213957 1.424770\n0.440525 4.614422 1.572529\n0.017264 0.278549 7.546581\nLi V Fe O\n3 2 3 10\ndirect\n0.505641 0.785864 0.407446 Li\n-0.000001 0.500000 0.500000 Li\n0.494358 0.214135 0.592555 Li\n-0.017339 0.838312 0.707961 V\n0.017337 0.161688 0.292039 V\n0.500001 -0.000000 0.000000 Fe\n0.990586 0.310750 0.893522 Fe\n0.009413 0.689249 0.106478 Fe\n0.234664 0.365030 0.043380 O\n0.773122 0.210429 0.754047 O\n0.769188 0.449049 0.342855 O\n0.230811 0.550950 0.657145 O\n0.206644 0.966525 0.858826 O\n0.765335 0.634969 0.956620 O\n0.774406 0.868156 0.544169 O\n0.225593 0.131843 0.455831 O\n0.226878 0.789570 0.245953 O\n0.793355 0.033474 0.141174 O\n","nsites":18,"nelements":4,"elements":["Li","V","Fe","O"],"chemical_system":"Fe-Li-O-V","density":4.527679813959339,"density_atomic":0.10900837406584016,"volume":165.12492874288859,"volume_molar":5.524475354859138,"formula_full":"Li3 V2 Fe3 O10","formula_reduced":"Li3V2Fe3O10","formula_anonymous":"A2B3C3D10","energy_above_hull":3.044643883333333,"spacegroup":2},{"id":"jvasp-113726","created_at":"2022-09-04T14:38:45.848918Z","updated_at":"2022-09-04T14:38:45.848957Z","structure_string":"Ta1 Sb1 O4\n1.0\n5.868223 -1.949313 0.184508\n5.868223 1.949313 0.184508\n-0.385685 0.000000 3.994372\nTa Sb O\n1 1 4\ndirect\n0.002371 0.002371 0.053243 Ta\n0.290781 0.290781 0.721079 Sb\n0.003603 0.003603 0.514978 O\n0.825781 0.825781 0.930062 O\n0.164764 0.164764 0.036677 O\n0.462178 0.462178 0.993958 O\n","nsites":6,"nelements":3,"elements":["Ta","Sb","O"],"chemical_system":"O-Sb-Ta","density":6.6432915314038485,"density_atomic":0.06545880371188689,"volume":91.66070352291572,"volume_molar":9.199894312927107,"formula_full":"Ta1 Sb1 O4","formula_reduced":"TaSbO4","formula_anonymous":"ABC4","energy_above_hull":2.931394883333333,"spacegroup":8},{"id":"jvasp-116840","created_at":"2022-09-04T14:38:45.854871Z","updated_at":"2022-09-04T14:38:45.854896Z","structure_string":"Mg2 Ni4 O8\n1.0\n5.130938 -0.000264 -2.755573\n-1.480368 4.912599 -2.755573\n-0.172830 -0.232374 5.832499\nMg Ni O\n2 4 8\ndirect\n0.375003 0.625002 0.750002 Mg\n0.624998 0.375000 0.250001 Mg\n0.000000 0.000001 0.500001 Ni\n-0.000000 0.500000 0.000001 Ni\n0.500000 0.000001 0.500001 Ni\n-0.000000 -0.000000 0.000000 Ni\n0.763457 0.789298 0.526869 O\n0.762425 0.236587 0.973153 O\n0.210703 0.236541 0.973127 O\n0.236544 0.210704 0.473133 O\n0.236585 0.762435 0.473151 O\n0.237576 0.763416 0.026850 O\n0.763416 0.237567 0.526850 O\n0.789297 0.763461 0.026875 O\n","nsites":14,"nelements":3,"elements":["Mg","Ni","O"],"chemical_system":"Mg-Ni-O","density":4.864074432233194,"density_atomic":0.09968670546806824,"volume":140.43999081185902,"volume_molar":6.041067092872297,"formula_full":"Mg2 Ni4 O8","formula_reduced":"Mg(NiO2)2","formula_anonymous":"AB2C4","energy_above_hull":1.5550825499999998,"spacegroup":227},{"id":"jvasp-112224","created_at":"2022-09-04T14:38:45.855592Z","updated_at":"2022-09-04T14:38:45.855630Z","structure_string":"H28 C18 O12\n1.0\n8.631297 0.000000 -1.377282\n0.000000 5.005919 0.000000\n0.002244 0.000000 10.383371\nH C O\n28 18 12\ndirect\n0.152849 0.216807 0.639910 H\n0.821691 0.128556 0.280660 H\n0.178309 0.628556 0.719340 H\n0.963202 0.256848 0.106229 H\n0.036798 0.756848 0.893771 H\n0.071191 0.367061 0.254775 H\n0.928809 0.867061 0.745225 H\n0.591986 0.692012 0.008921 H\n0.408014 0.192012 -0.008921 H\n0.719683 0.435840 0.970861 H\n0.574137 0.949573 0.315889 H\n0.425863 0.449572 0.684112 H\n0.645262 0.193497 0.524849 H\n0.354737 0.693497 0.475151 H\n0.280316 0.935840 0.029139 H\n0.004174 0.070367 0.485063 H\n0.847151 0.716807 0.360090 H\n0.377824 0.135805 0.527781 H\n0.995826 0.570367 0.514937 H\n0.392609 0.726594 0.866229 H\n0.607391 0.226594 0.133771 H\n0.650371 0.027428 0.869328 H\n0.622175 0.635805 0.472219 H\n0.617618 0.768599 0.749491 H\n0.382381 0.268599 0.250509 H\n0.776683 0.225636 0.739109 H\n0.223316 0.725636 0.260891 H\n0.349629 0.527428 0.130672 H\n0.349739 0.994123 0.601720 C\n0.396488 0.483529 0.233287 C\n0.603512 0.983529 0.766713 C\n0.666096 0.413070 0.168241 C\n0.333904 0.913071 0.831759 C\n0.567307 0.562894 0.259394 C\n0.432693 0.062894 0.740606 C\n0.650261 0.494123 0.398280 C\n0.820256 0.506605 0.378723 C\n0.307972 0.069526 0.952400 C\n0.822075 0.341104 0.254732 C\n0.177924 0.841105 0.745268 C\n0.962343 0.396548 0.187734 C\n0.037656 0.896548 0.812266 C\n0.957578 0.674319 0.134472 C\n0.042422 0.174318 0.865528 C\n0.692028 0.569526 0.047600 C\n0.179744 0.006605 0.621277 C\n0.928861 0.414126 0.487761 O\n0.071138 0.914126 0.512239 O\n0.069790 0.828151 0.145204 O\n0.930210 0.328151 0.854796 O\n0.820629 0.763908 0.072329 O\n0.580812 0.843732 0.236389 O\n0.311051 0.634778 0.316172 O\n0.688948 0.134778 0.683828 O\n0.419187 0.343732 0.763611 O\n0.392633 0.727965 0.569671 O\n0.179371 0.263908 0.927671 O\n0.607367 0.227965 0.430329 O\n","nsites":58,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.615207397800918,"density_atomic":0.12927506551710163,"volume":448.65573858345675,"volume_molar":4.658393121605758,"formula_full":"H28 C18 O12","formula_reduced":"H14(C3O2)3","formula_anonymous":"A6B9C14","energy_above_hull":4.626704862068965,"spacegroup":4},{"id":"jvasp-112198","created_at":"2022-09-04T14:38:45.860663Z","updated_at":"2022-09-04T14:38:45.860694Z","structure_string":"Cd1 H18 C11 O4\n1.0\n4.000849 0.118352 0.445355\n0.911535 4.274517 -0.023115\n0.243435 0.034808 15.564686\nCd H C O\n1 18 11 4\ndirect\n0.967331 0.794038 0.839226 Cd\n0.637453 0.732389 0.532572 H\n0.124215 0.314552 0.565842 H\n0.049879 0.147475 0.103140 H\n0.160723 0.128744 0.300470 H\n0.757455 0.180142 0.262611 H\n0.844988 0.192474 0.460276 H\n0.449897 0.240501 0.418685 H\n0.255250 0.787832 0.485001 H\n0.460328 0.098550 0.137621 H\n0.524022 0.604388 0.067423 H\n0.111898 0.663618 0.035743 H\n0.255240 0.612888 0.222672 H\n0.849705 0.667831 0.186446 H\n0.961276 0.659658 0.377616 H\n0.561758 0.713998 0.338217 H\n0.712022 0.083187 0.614683 H\n0.664635 0.436709 0.675015 H\n0.093255 0.656221 0.629214 H\n0.499255 0.311384 0.963019 C\n0.335274 0.478739 0.048634 C\n0.233003 0.276690 0.122972 C\n0.069279 0.484577 0.203592 C\n0.943034 0.309188 0.281383 C\n0.276909 0.466094 0.589776 C\n0.633658 0.370860 0.437846 C\n0.453173 0.607021 0.511576 C\n0.522163 0.280569 0.649192 C\n0.345354 0.153301 0.727706 C\n0.774677 0.531769 0.358807 C\n0.710534 0.040960 0.964428 O\n0.054110 0.306106 0.765368 O\n0.485669 0.881421 0.755013 O\n0.436755 0.451508 0.893120 O\n","nsites":34,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.0542826184098466,"density_atomic":0.12876024535383623,"volume":264.05665744552743,"volume_molar":4.677018705153142,"formula_full":"Cd1 H18 C11 O4","formula_reduced":"CdH18C11O4","formula_anonymous":"AB4C11D18","energy_above_hull":4.563826580882353,"spacegroup":1}]}