{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3375","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3373","results":[{"id":"jvasp-106303","created_at":"2022-09-04T14:36:30.653975Z","updated_at":"2022-09-04T14:36:30.654004Z","structure_string":"Li1 Ta1 F6\n1.0\n4.817041 -0.000000 2.781120\n1.605680 4.541550 2.781120\n-0.000000 0.000000 5.562239\nLi Ta F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ta\n0.755377 0.244623 0.244623 F\n0.244623 0.755377 0.755377 F\n0.244623 0.755377 0.244623 F\n0.755377 0.244623 0.755377 F\n0.244623 0.244623 0.755377 F\n0.755377 0.755377 0.244624 F\n","nsites":8,"nelements":3,"elements":["Li","Ta","F"],"chemical_system":"F-Li-Ta","density":4.119536375763567,"density_atomic":0.065743965870083,"volume":121.6841712258254,"volume_molar":9.159990092323278,"formula_full":"Li1 Ta1 F6","formula_reduced":"LiTaF6","formula_anonymous":"ABC6","energy_above_hull":0.5300463618749999,"spacegroup":225},{"id":"jvasp-46906","created_at":"2022-09-04T14:38:10.005776Z","updated_at":"2022-09-04T14:38:10.005809Z","structure_string":"Na1 V3 O6\n1.0\n1.719290 0.992632 4.764974\n4.496401 -2.139460 0.049995\n4.891775 2.824268 0.099989\nNa V O\n1 3 6\ndirect\n-0.000000 0.248416 0.375792 Na\n0.000000 0.027878 0.986062 V\n0.499999 0.632685 0.183658 V\n0.499999 0.394059 0.802972 V\n0.259095 0.001854 0.164542 O\n0.727926 0.346156 0.052628 O\n0.740904 0.001854 0.833605 O\n0.272073 0.346156 0.601217 O\n0.722223 0.667138 0.385820 O\n0.277775 0.667138 0.947043 O\n","nsites":10,"nelements":3,"elements":["Na","V","O"],"chemical_system":"Na-O-V","density":4.119470708774406,"density_atomic":0.09126953161634029,"volume":109.56558911725222,"volume_molar":6.5981940011641695,"formula_full":"Na1 V3 O6","formula_reduced":"NaV3O6","formula_anonymous":"AB3C6","energy_above_hull":2.97721326,"spacegroup":5},{"id":"jvasp-53660","created_at":"2022-09-04T14:37:30.174447Z","updated_at":"2022-09-04T14:37:30.174464Z","structure_string":"Ba2 C2 O6\n1.0\n4.290747 -0.085046 1.531346\n1.069877 4.156092 1.531346\n-0.173258 -0.131578 8.777105\nBa C O\n2 2 6\ndirect\n0.500001 0.499999 0.250001 Ba\n0.500001 0.499999 0.750001 Ba\n0.044032 0.044032 0.517374 C\n0.955969 0.955966 0.982628 C\n0.085342 0.662812 0.050159 O\n0.662813 0.085341 0.050159 O\n0.111981 0.111980 0.848467 O\n0.337188 0.914658 0.449842 O\n0.914660 0.337186 0.449842 O\n0.888021 0.888018 0.651535 O\n","nsites":10,"nelements":3,"elements":["Ba","C","O"],"chemical_system":"Ba-C-O","density":4.119410022030744,"density_atomic":0.06285644682340326,"volume":159.09267076605917,"volume_molar":9.580784572375455,"formula_full":"Ba2 C2 O6","formula_reduced":"BaCO3","formula_anonymous":"ABC3","energy_above_hull":2.301949294,"spacegroup":12},{"id":"jvasp-66591","created_at":"2022-09-04T14:36:12.558276Z","updated_at":"2022-09-04T14:36:12.558304Z","structure_string":"K1 Ba1 Tc1\n1.0\n0.000000 3.810104 3.810104\n3.810104 0.000000 3.810104\n3.810104 3.810104 0.000000\nK Ba Tc\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Tc\n","nsites":3,"nelements":3,"elements":["K","Ba","Tc"],"chemical_system":"Ba-K-Tc","density":4.119388560546433,"density_atomic":0.027119443176686724,"volume":110.621740293656,"volume_molar":22.20598970548534,"formula_full":"K1 Ba1 Tc1","formula_reduced":"KBaTc","formula_anonymous":"ABC","energy_above_hull":1.7610251566666664,"spacegroup":216},{"id":"jvasp-91266","created_at":"2022-09-04T14:36:06.965651Z","updated_at":"2022-09-04T14:36:06.965676Z","structure_string":"Ba2 Mn2 P4 O14\n1.0\n5.479572 0.008648 -0.078415\n-0.502172 7.070763 -1.535316\n-0.014652 -0.029784 7.626052\nBa Mn P O\n2 2 4 14\ndirect\n0.780884 0.228618 0.068659 Ba\n0.219116 0.771383 0.931341 Ba\n0.793540 0.381465 0.604525 Mn\n0.206460 0.618536 0.395475 Mn\n0.286655 0.175911 0.402220 P\n0.713346 0.824090 0.597780 P\n0.287424 0.268865 0.793744 P\n0.712577 0.731136 0.206256 P\n0.718174 0.849498 0.064166 O\n0.281827 0.150502 0.935834 O\n0.473206 0.606591 0.197981 O\n0.546355 0.268211 0.394834 O\n0.063743 0.389416 0.805237 O\n0.266413 0.123744 0.599168 O\n0.733587 0.876256 0.400831 O\n0.903405 0.671937 0.598829 O\n0.096595 0.328064 0.401171 O\n0.225868 -0.004712 0.266838 O\n0.774132 0.004713 0.733163 O\n0.453646 0.731790 0.605166 O\n0.936257 0.610585 0.194763 O\n0.526794 0.393409 0.802019 O\n","nsites":22,"nelements":4,"elements":["Ba","Mn","P","O"],"chemical_system":"Ba-Mn-O-P","density":4.11934155430317,"density_atomic":0.07451490043859187,"volume":295.242963092064,"volume_molar":8.081794009726792,"formula_full":"Ba2 Mn2 P4 O14","formula_reduced":"BaMnP2O7","formula_anonymous":"ABC2D7","energy_above_hull":2.721837155579937,"spacegroup":2},{"id":"jvasp-102451","created_at":"2022-09-04T14:37:12.066370Z","updated_at":"2022-09-04T14:37:12.066395Z","structure_string":"Al3 Sn1\n1.0\n4.317526 0.000000 0.000000\n0.000000 4.317526 0.000000\n0.000000 0.000000 4.317526\nAl Sn\n3 1\ndirect\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Sn\n","nsites":4,"nelements":2,"elements":["Al","Sn"],"chemical_system":"Al-Sn","density":4.119301384839209,"density_atomic":0.049699853282204796,"volume":80.4831349760184,"volume_molar":12.117019190791552,"formula_full":"Al3 Sn1","formula_reduced":"Al3Sn","formula_anonymous":"AB3","energy_above_hull":1.406607525,"spacegroup":221},{"id":"jvasp-29861","created_at":"2022-09-04T14:37:08.937613Z","updated_at":"2022-09-04T14:37:08.937632Z","structure_string":"Co1 H2 O2\n1.0\n2.529916 -0.646300 -0.193333\n-1.762316 3.167980 1.235075\n-0.247176 2.050724 6.273247\nCo H O\n1 2 2\ndirect\n0.116033 0.079448 0.976038 Co\n0.614506 0.077991 0.632562 H\n-0.038387 0.084276 0.320750 H\n0.860853 0.943060 0.724097 O\n0.383082 0.215767 0.227754 O\n","nsites":5,"nelements":3,"elements":["Co","H","O"],"chemical_system":"Co-H-O","density":4.119117047003297,"density_atomic":0.13343985902067035,"volume":37.47006356792898,"volume_molar":4.512999941844323,"formula_full":"Co1 H2 O2","formula_reduced":"Co(HO)2","formula_anonymous":"AB2C2","energy_above_hull":2.64955758,"spacegroup":5},{"id":"jvasp-90791","created_at":"2022-09-04T14:36:21.929926Z","updated_at":"2022-09-04T14:36:21.929954Z","structure_string":"Hf1 Ti1 F6\n1.0\n8.187469 -0.000000 0.000000\n4.093734 4.093734 -0.000000\n4.093734 -0.000000 4.093734\nHf Ti F\n1 1 6\ndirect\n0.500000 0.000000 0.000000 Hf\n0.000000 0.000000 0.000000 Ti\n0.254131 0.000000 0.000000 F\n0.254131 0.491737 0.000000 F\n0.254131 0.000000 0.491737 F\n0.745870 0.000000 0.000000 F\n0.745870 0.000000 0.508262 F\n0.745870 0.508262 0.000000 F\n","nsites":8,"nelements":3,"elements":["Hf","Ti","F"],"chemical_system":"F-Hf-Ti","density":4.1189133021752875,"density_atomic":0.058304366169868026,"volume":137.21099337041483,"volume_molar":10.328798948700813,"formula_full":"Hf1 Ti1 F6","formula_reduced":"HfTiF6","formula_anonymous":"ABC6","energy_above_hull":0.7828691285416666,"spacegroup":225},{"id":"jvasp-85222","created_at":"2022-09-04T14:37:19.433404Z","updated_at":"2022-09-04T14:37:19.433435Z","structure_string":"W2 N1 Cl8\n1.0\n6.152622 0.015472 0.940871\n0.820953 6.231513 0.026012\n0.017065 0.003713 7.001154\nW N Cl\n2 1 8\ndirect\n0.053138 0.597346 0.231853 W\n0.946860 0.402653 0.768146 W\n-0.000000 0.500000 -0.000000 N\n0.616559 0.616233 0.776296 Cl\n0.888041 0.305052 0.411455 Cl\n0.283500 0.198780 0.687250 Cl\n0.781728 0.111972 0.874108 Cl\n0.218270 0.888027 0.125891 Cl\n0.383440 0.383766 0.223704 Cl\n0.111958 0.694947 0.588544 Cl\n0.716499 0.801219 0.312749 Cl\n","nsites":11,"nelements":3,"elements":["W","N","Cl"],"chemical_system":"Cl-N-W","density":4.1186264874702285,"density_atomic":0.04100827372741729,"volume":268.23855286172716,"volume_molar":14.685184750836562,"formula_full":"W2 N1 Cl8","formula_reduced":"W2NCl8","formula_anonymous":"AB2C8","energy_above_hull":2.312553253636364,"spacegroup":2},{"id":"jvasp-109885","created_at":"2022-09-04T14:38:07.114089Z","updated_at":"2022-09-04T14:38:07.114118Z","structure_string":"Rb2 Sc1 Ag1 Br6\n1.0\n6.675413 -0.000000 3.854051\n2.225138 6.293639 3.854051\n-0.000000 -0.000000 7.708103\nRb Sc Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.757475 0.242525 0.242524 Br\n0.242525 0.242525 0.757475 Br\n0.242525 0.757475 0.757475 Br\n0.242525 0.757475 0.242524 Br\n0.757475 0.242525 0.757475 Br\n0.757475 0.757475 0.242524 Br\n","nsites":10,"nelements":4,"elements":["Rb","Sc","Ag","Br"],"chemical_system":"Ag-Br-Rb-Sc","density":4.118475742093005,"density_atomic":0.03087966087153494,"volume":323.8377533225457,"volume_molar":19.50196533910528,"formula_full":"Rb2 Sc1 Ag1 Br6","formula_reduced":"Rb2ScAgBr6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-103089","created_at":"2022-09-04T14:36:44.857679Z","updated_at":"2022-09-04T14:36:44.857693Z","structure_string":"In2 Ga1 S4\n1.0\n3.954266 0.000000 -0.000000\n-1.977133 3.424493 0.000000\n-0.000000 0.000000 12.732479\nIn Ga S\n2 1 4\ndirect\n0.666668 0.333333 0.007901 In\n0.000000 -0.000000 0.694239 In\n0.333334 0.666666 0.306177 Ga\n0.000000 -0.000000 0.889576 S\n0.333334 0.666666 0.124461 S\n0.000000 -0.000000 0.369545 S\n0.333334 0.666666 0.608101 S\n","nsites":7,"nelements":3,"elements":["In","Ga","S"],"chemical_system":"Ga-In-S","density":4.118423080473833,"density_atomic":0.040599707814414285,"volume":172.4150339208786,"volume_molar":14.832965763024367,"formula_full":"In2 Ga1 S4","formula_reduced":"In2GaS4","formula_anonymous":"AB2C4","energy_above_hull":0.9250303235714286,"spacegroup":156},{"id":"jvasp-48663","created_at":"2022-09-04T14:35:44.840836Z","updated_at":"2022-09-04T14:35:44.840854Z","structure_string":"Li2 Mn4 F10\n1.0\n0.000000 5.102411 0.000000\n-6.211625 2.551206 -0.112380\n-0.466407 0.000000 5.381241\nLi Mn F\n2 4 10\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.331949 0.795639 0.551135 Mn\n0.872413 0.795638 0.051135 Mn\n0.127588 0.204361 0.948865 Mn\n0.668051 0.204361 0.448865 Mn\n0.486785 0.806362 0.910646 F\n0.706853 0.806361 0.410646 F\n0.144526 0.576726 0.812233 F\n0.278749 0.576726 0.312233 F\n0.721252 0.423274 0.687767 F\n0.855474 0.423274 0.187767 F\n0.293147 0.193638 0.589354 F\n0.513216 0.193638 0.089354 F\n0.943963 0.000000 0.750000 F\n0.056036 0.000000 0.250000 F\n","nsites":16,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":4.117941172838267,"density_atomic":0.0936647979348026,"volume":170.82191338454757,"volume_molar":6.4294600455892095,"formula_full":"Li2 Mn4 F10","formula_reduced":"LiMn2F5","formula_anonymous":"AB2C5","energy_above_hull":0.9046532369073276,"spacegroup":15}]}