{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3405","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3403","results":[{"id":"jvasp-50744","created_at":"2022-09-04T14:37:00.274953Z","updated_at":"2022-09-04T14:37:00.274969Z","structure_string":"Li4 Ag2 F6\n1.0\n5.315834 -0.098566 -0.000000\n-2.569363 4.654695 -0.000000\n-0.000000 -0.000000 5.335232\nLi Ag F\n4 2 6\ndirect\n0.166652 0.833347 0.000000 Li\n0.166652 0.833347 0.500000 Li\n0.833347 0.166651 0.000000 Li\n0.833347 0.166651 0.500000 Li\n0.499713 0.499713 0.750000 Ag\n0.500286 0.500285 0.250000 Ag\n0.075040 0.499910 0.250000 F\n0.075053 0.075053 0.750000 F\n0.500089 0.924959 0.750000 F\n0.499910 0.075039 0.250000 F\n0.924946 0.924945 0.250000 F\n0.924959 0.500088 0.750000 F\n","nsites":12,"nelements":3,"elements":["Li","Ag","F"],"chemical_system":"Ag-F-Li","density":4.543243054048112,"density_atomic":0.09184028585366837,"volume":130.6616142192755,"volume_molar":6.557188606310787,"formula_full":"Li4 Ag2 F6","formula_reduced":"Li2AgF3","formula_anonymous":"AB2C3","energy_above_hull":0.0633466666666669,"spacegroup":193},{"id":"jvasp-10994","created_at":"2022-09-04T14:37:00.364208Z","updated_at":"2022-09-04T14:37:00.364235Z","structure_string":"Ba2 Pd2 F8\n1.0\n5.601017 0.000000 -2.726712\n-1.327430 5.441445 -2.726712\n-0.046060 -0.058646 7.021349\nBa Pd F\n2 2 8\ndirect\n0.750000 0.750000 0.500001 Ba\n0.250000 0.250000 0.500000 Ba\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.967029 0.467028 0.256435 F\n0.710594 0.210593 0.743566 F\n0.032972 0.532972 0.743566 F\n0.210593 0.032972 0.743566 F\n0.289407 0.789407 0.256435 F\n0.467028 0.289407 0.256435 F\n0.789407 0.967029 0.256436 F\n0.532972 0.710594 0.743566 F\n","nsites":12,"nelements":3,"elements":["Ba","Pd","F"],"chemical_system":"Ba-F-Pd","density":5.004099855014796,"density_atomic":0.05654970155435102,"volume":212.20271142309332,"volume_molar":10.64928831536273,"formula_full":"Ba2 Pd2 F8","formula_reduced":"BaPdF4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":140},{"id":"jvasp-50276","created_at":"2022-09-04T14:37:05.333186Z","updated_at":"2022-09-04T14:37:05.333206Z","structure_string":"Tb2 Nb2 O8\n1.0\n-3.665118 3.665118 3.361839\n3.665118 -3.665118 3.361839\n3.665118 3.665118 -3.361839\nTb Nb O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.500000 Tb\n0.500000 0.500000 0.000000 Nb\n0.250000 0.750000 0.500000 Nb\n0.508841 0.316538 0.192302 O\n0.683462 0.875765 0.192302 O\n0.066538 0.374236 0.307698 O\n0.683462 0.491159 0.807699 O\n0.124236 0.316539 0.807699 O\n0.241159 0.933462 0.307698 O\n0.625765 0.933462 0.692302 O\n0.066538 0.758842 0.692302 O\n","nsites":12,"nelements":3,"elements":["Tb","Nb","O"],"chemical_system":"Nb-O-Tb","density":5.80655744297931,"density_atomic":0.06643063758150247,"volume":180.6395427904396,"volume_molar":9.065306279217253,"formula_full":"Tb2 Nb2 O8","formula_reduced":"TbNbO4","formula_anonymous":"ABC4","energy_above_hull":2.5273003000000003,"spacegroup":141},{"id":"jvasp-28896","created_at":"2022-09-04T14:37:01.664106Z","updated_at":"2022-09-04T14:37:01.664117Z","structure_string":"Te2 W4 Se6\n1.0\n3.384865 -0.000002 -0.000000\n-1.692433 2.931376 -0.000011\n-0.000010 -0.000153 36.411944\nTe W Se\n2 4 6\ndirect\n0.666707 0.333405 0.416505 Te\n0.666643 0.333285 0.520505 Te\n0.333322 0.666645 0.097401 W\n0.333342 0.666677 0.468507 W\n0.666662 0.333325 0.277731 W\n0.666676 0.333359 0.659278 W\n0.333337 0.666668 0.323393 Se\n0.333358 0.666721 0.704864 Se\n0.666628 0.333261 0.051809 Se\n0.666678 0.333356 0.143045 Se\n0.333322 0.666646 0.232094 Se\n0.333329 0.666668 0.613613 Se\n","nsites":12,"nelements":3,"elements":["Te","W","Se"],"chemical_system":"Se-Te-W","density":6.730208109268319,"density_atomic":0.033214265126841405,"volume":361.2905465219055,"volume_molar":18.131187720102027,"formula_full":"Te2 W4 Se6","formula_reduced":"TeW2Se3","formula_anonymous":"AB2C3","energy_above_hull":3.825122977777778,"spacegroup":156},{"id":"jvasp-42155","created_at":"2022-09-04T14:36:44.867239Z","updated_at":"2022-09-04T14:36:44.867260Z","structure_string":"Li4 V2 O4 F2\n1.0\n-0.000001 -2.036057 -2.036034\n0.010267 4.154855 -4.154837\n6.217621 0.027940 -2.063978\nLi V O F\n4 2 4 2\ndirect\n0.000618 0.485369 -0.001239 Li\n0.332745 0.181304 0.334561 Li\n0.666636 0.333331 0.666666 Li\n0.666642 0.833337 0.666663 Li\n0.992328 0.004777 0.015330 V\n0.341014 0.661886 0.318008 V\n0.504600 0.238286 0.990785 O\n0.499883 0.758644 0.000231 O\n0.828735 0.428378 0.342553 O\n0.833464 0.908022 0.333105 O\n0.163796 0.078659 0.672383 F\n0.169532 0.588008 0.660956 F\n","nsites":12,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":3.6580461330922684,"density_atomic":0.11412088574334357,"volume":105.15165494761273,"volume_molar":5.276983893678953,"formula_full":"Li4 V2 O4 F2","formula_reduced":"Li2VO2F","formula_anonymous":"ABC2D2","energy_above_hull":1.490610247083334,"spacegroup":12},{"id":"jvasp-42697","created_at":"2022-09-04T14:37:01.309359Z","updated_at":"2022-09-04T14:37:01.309372Z","structure_string":"Co2 P2 O8\n1.0\n5.008032 0.014478 -0.020146\n2.294744 7.309089 4.155757\n2.334975 -1.523227 4.160369\nCo P O\n2 2 8\ndirect\n0.196043 0.253254 0.301379 Co\n0.801379 0.753254 0.696043 Co\n0.183947 0.625476 0.067091 P\n0.567091 0.125476 0.683947 P\n0.071947 0.745494 0.291315 O\n0.293309 0.457113 0.216716 O\n0.267455 0.187910 0.945953 O\n0.484231 0.112717 0.429093 O\n0.445952 0.687910 0.767455 O\n0.791315 0.245494 0.571948 O\n0.929094 0.612717 0.984231 O\n0.716716 0.957113 0.793309 O\n","nsites":12,"nelements":3,"elements":["Co","P","O"],"chemical_system":"Co-O-P","density":2.77177536058287,"density_atomic":0.06507417989825294,"volume":184.40493631671825,"volume_molar":9.254270694484278,"formula_full":"Co2 P2 O8","formula_reduced":"CoPO4","formula_anonymous":"ABC4","energy_above_hull":2.669936733333333,"spacegroup":9},{"id":"jvasp-9089","created_at":"2022-09-04T14:37:05.733167Z","updated_at":"2022-09-04T14:37:05.733189Z","structure_string":"Ca6 P6\n1.0\n3.813874 -6.605824 0.000000\n3.813874 6.605824 -0.000000\n-0.000000 0.000000 5.723078\nCa P\n6 6\ndirect\n0.356561 0.356561 0.500000 Ca\n0.643438 -0.000000 0.500000 Ca\n-0.000000 0.643438 0.500000 Ca\n0.690892 0.690892 0.000000 Ca\n0.309107 -0.000000 0.000000 Ca\n-0.000000 0.309107 0.000000 Ca\n0.666666 0.333333 0.203752 P\n0.666666 0.333333 0.796249 P\n0.333333 0.666666 0.796249 P\n0.333333 0.666666 0.203752 P\n0.000000 0.000000 0.698165 P\n0.000000 0.000000 0.301836 P\n","nsites":12,"nelements":2,"elements":["Ca","P"],"chemical_system":"Ca-P","density":2.4548343974111146,"density_atomic":0.04161292520460879,"volume":288.3719407130493,"volume_molar":14.471803485069648,"formula_full":"Ca6 P6","formula_reduced":"CaP","formula_anonymous":"AB","energy_above_hull":0.2305379599999999,"spacegroup":189},{"id":"jvasp-12956","created_at":"2022-09-04T14:37:01.319793Z","updated_at":"2022-09-04T14:37:01.319822Z","structure_string":"Na4 C2 S6\n1.0\n5.704082 0.005855 1.517892\n2.217921 5.255227 1.517892\n-0.026136 -0.017358 8.447454\nNa C S\n4 2 6\ndirect\n0.434710 0.829240 0.390048 Na\n0.170761 0.565289 0.109951 Na\n0.829238 0.434712 0.890048 Na\n0.565288 0.170761 0.609951 Na\n0.915740 0.084260 0.250000 C\n0.084258 0.915741 0.749999 C\n0.641867 0.358133 0.250000 S\n0.358131 0.641868 0.749999 S\n0.921333 0.813957 0.390393 S\n0.186044 0.078666 0.109607 S\n0.078665 0.186044 0.609606 S\n0.813954 0.921335 0.890393 S\n","nsites":12,"nelements":3,"elements":["Na","C","S"],"chemical_system":"C-Na-S","density":2.020655976357717,"density_atomic":0.047353461985135334,"volume":253.41336191569067,"volume_molar":12.717424466009273,"formula_full":"Na4 C2 S6","formula_reduced":"Na2CS3","formula_anonymous":"AB2C3","energy_above_hull":1.809961333333333,"spacegroup":15},{"id":"jvasp-5704","created_at":"2022-09-04T14:37:00.171918Z","updated_at":"2022-09-04T14:37:00.171946Z","structure_string":"Fe3 Ag3 Te6\n1.0\n4.030272 -6.980636 0.000000\n4.030272 6.980636 0.000000\n0.000000 0.000000 5.114957\nFe Ag Te\n3 3 6\ndirect\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.333333 0.666667 0.185443 Ag\n0.666667 0.333333 0.814557 Ag\n0.000000 0.000000 0.000000 Ag\n0.372508 0.186254 0.247451 Te\n0.813745 0.627491 0.247451 Te\n0.813746 0.186254 0.247451 Te\n0.186254 0.813746 0.752549 Te\n0.186254 0.372508 0.752549 Te\n0.627491 0.813745 0.752549 Te\n","nsites":12,"nelements":3,"elements":["Fe","Ag","Te"],"chemical_system":"Ag-Fe-Te","density":7.250919184742255,"density_atomic":0.041694609752084555,"volume":287.80698683479227,"volume_molar":14.443451553588217,"formula_full":"Fe3 Ag3 Te6","formula_reduced":"FeAgTe2","formula_anonymous":"ABC2","energy_above_hull":1.289544573333333,"spacegroup":164},{"id":"jvasp-9126","created_at":"2022-09-04T14:37:06.828776Z","updated_at":"2022-09-04T14:37:06.828796Z","structure_string":"As8 Pt4\n1.0\n6.073467 0.000000 -0.000000\n-0.000000 6.073467 0.000000\n-0.000000 -0.000000 6.073467\nAs Pt\n8 4\ndirect\n0.383372 0.383372 0.383372 As\n0.116628 0.616628 0.883373 As\n0.883373 0.116628 0.616628 As\n0.616628 0.883373 0.116628 As\n0.616628 0.616628 0.616628 As\n0.883373 0.383372 0.116628 As\n0.116628 0.883373 0.383372 As\n0.383372 0.116628 0.883373 As\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n","nsites":12,"nelements":2,"elements":["As","Pt"],"chemical_system":"As-Pt","density":10.226487773350685,"density_atomic":0.05356378001458225,"volume":224.03198573239433,"volume_molar":11.242934606856585,"formula_full":"As8 Pt4","formula_reduced":"As2Pt","formula_anonymous":"AB2","energy_above_hull":1.9872716333333336,"spacegroup":205},{"id":"jvasp-11798","created_at":"2022-09-04T14:36:44.080320Z","updated_at":"2022-09-04T14:36:44.080349Z","structure_string":"Pr2 V2 O8\n1.0\n5.945405 -0.002774 -1.720338\n-3.359801 4.905056 -1.720338\n0.001463 0.002774 6.189297\nPr V O\n2 2 8\ndirect\n0.874999 0.125000 0.750000 Pr\n0.125000 0.875001 0.250000 Pr\n0.625000 0.375001 0.250000 V\n0.374999 0.625000 0.750000 V\n0.793701 0.364057 0.070355 O\n0.793701 0.723348 0.429645 O\n0.635943 0.206299 0.429645 O\n0.206299 0.276653 0.570355 O\n0.206298 0.635944 0.929645 O\n0.276653 0.206299 0.070355 O\n0.723346 0.793701 0.929645 O\n0.364056 0.793701 0.570355 O\n","nsites":12,"nelements":3,"elements":["Pr","V","O"],"chemical_system":"O-Pr-V","density":4.707545090303577,"density_atomic":0.06648393816451144,"volume":180.49472295558897,"volume_molar":9.058038567298,"formula_full":"Pr2 V2 O8","formula_reduced":"PrVO4","formula_anonymous":"ABC4","energy_above_hull":2.3718080083333337,"spacegroup":141},{"id":"jvasp-28644","created_at":"2022-09-04T14:36:44.577549Z","updated_at":"2022-09-04T14:36:44.577581Z","structure_string":"Mo2 W2 Se6 S2\n1.0\n3.292711 0.000001 0.000000\n-1.646354 2.851540 0.000000\n-0.000001 0.000140 35.021028\nMo W Se S\n2 2 6 2\ndirect\n0.333369 0.666735 0.096673 Mo\n0.666648 0.333297 0.658253 Mo\n0.333330 0.666658 0.468862 W\n0.666653 0.333307 0.279126 W\n0.333321 0.666640 0.327536 Se\n0.333313 0.666624 0.706332 Se\n0.666669 0.333337 0.420452 Se\n0.666656 0.333311 0.517274 Se\n0.333329 0.666656 0.230724 Se\n0.333321 0.666641 0.610115 Se\n0.666699 0.333398 0.052875 S\n0.666698 0.333394 0.140525 S\n","nsites":12,"nelements":4,"elements":["Mo","W","Se","S"],"chemical_system":"Mo-S-Se-W","density":5.54206725081851,"density_atomic":0.0364938092093661,"volume":328.8228951698528,"volume_molar":16.50181466519648,"formula_full":"Mo2 W2 Se6 S2","formula_reduced":"MoWSe3S","formula_anonymous":"ABCD3","energy_above_hull":3.5943543333333325,"spacegroup":156}]}