{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3453","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3451","results":[{"id":"jvasp-35117","created_at":"2022-09-04T14:37:40.190837Z","updated_at":"2022-09-04T14:37:40.190858Z","structure_string":"Ba1 Al2 Si2 O8\n1.0\n2.670695 -4.625780 0.000000\n2.670695 4.625780 0.000000\n0.000000 0.000000 7.867749\nBa Al Si O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.705851 Al\n0.333334 0.666668 0.294150 Al\n0.666668 0.333334 0.283509 Si\n0.333334 0.666668 0.716491 Si\n0.666668 0.333334 0.487278 O\n0.333334 0.666668 0.512722 O\n0.563938 0.988817 0.793529 O\n0.424879 0.436064 0.793529 O\n0.011185 0.575122 0.793529 O\n0.436064 0.011185 0.206471 O\n0.575123 0.563938 0.206471 O\n0.988816 0.424880 0.206471 O\n","nsites":13,"nelements":4,"elements":["Ba","Al","Si","O"],"chemical_system":"Al-Ba-O-Si","density":3.207145827644211,"density_atomic":0.0668734290219319,"volume":194.39708999723197,"volume_molar":9.005281840751683,"formula_full":"Ba1 Al2 Si2 O8","formula_reduced":"BaAl2(SiO4)2","formula_anonymous":"AB2C2D8","energy_above_hull":2.4640059053846155,"spacegroup":147},{"id":"jvasp-48209","created_at":"2022-09-04T14:37:51.577212Z","updated_at":"2022-09-04T14:37:51.577231Z","structure_string":"Li2 V1 P2 O8\n1.0\n4.866149 -0.011679 0.005641\n-2.423000 4.220095 0.002986\n-0.009814 -0.009551 7.054139\nLi V P O\n2 1 2 8\ndirect\n0.333190 0.666719 0.705156 Li\n0.666764 0.333280 0.294844 Li\n-0.000023 0.000001 0.000001 V\n0.333371 0.666634 0.238441 P\n0.666583 0.333364 0.761563 P\n0.048425 0.697874 0.158253 O\n0.333319 0.666635 0.448551 O\n0.302133 0.350457 0.158323 O\n0.649558 0.951580 0.158337 O\n0.350397 0.048418 0.841660 O\n0.697820 0.649542 0.841675 O\n0.666636 0.333365 0.551454 O\n0.951530 0.302126 0.841744 O\n","nsites":13,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.9243992704468242,"density_atomic":0.08986468813269986,"volume":144.66193863382,"volume_molar":6.701342746671894,"formula_full":"Li2 V1 P2 O8","formula_reduced":"Li2V(PO4)2","formula_anonymous":"AB2C2D8","energy_above_hull":2.7444379384615383,"spacegroup":147},{"id":"jvasp-21430","created_at":"2022-09-04T14:37:30.892977Z","updated_at":"2022-09-04T14:37:30.892998Z","structure_string":"Ca4 Be8 P8 O32\n1.0\n0.000000 7.845017 0.002359\n8.839444 0.000000 0.000000\n0.000000 -0.068576 -8.319258\nCa Be P O\n4 8 8 32\ndirect\n0.243722 0.586278 0.884149 Ca\n0.756277 0.086278 0.615851 Ca\n0.756278 0.413722 0.115851 Ca\n0.243722 0.913722 0.384149 Ca\n0.570364 0.804584 0.053934 Be\n0.069937 0.922831 0.765016 Be\n0.930063 0.422831 0.734984 Be\n0.930063 0.077169 0.234984 Be\n0.069937 0.577168 0.265016 Be\n0.429636 0.304585 0.446066 Be\n0.429636 0.195415 0.946066 Be\n0.570364 0.695415 0.553934 Be\n0.439005 0.581127 0.260658 P\n0.560995 0.081127 0.239342 P\n0.439004 0.918872 0.760659 P\n0.560995 0.418872 0.739342 P\n0.061380 0.301950 0.443057 P\n0.061379 0.198050 0.943057 P\n0.938620 0.698050 0.556943 P\n0.938621 0.801949 0.056943 P\n0.997248 0.410573 0.308326 O\n0.997248 0.089427 0.808326 O\n0.002752 0.589427 0.691674 O\n0.563654 0.631833 0.126954 O\n0.436346 0.131833 0.373046 O\n0.436346 0.368167 0.873046 O\n0.942463 0.636000 0.120288 O\n0.057537 0.136000 0.379712 O\n0.057537 0.364000 0.879713 O\n0.942463 0.864000 0.620288 O\n0.434347 0.692576 0.402634 O\n0.565653 0.192576 0.097366 O\n0.002752 0.910573 0.191674 O\n0.563654 0.868166 0.626955 O\n0.495207 0.575523 0.687936 O\n0.239503 0.154490 0.001180 O\n0.504793 0.424477 0.312065 O\n0.495207 0.924477 0.187935 O\n0.069041 0.690414 0.418427 O\n0.930959 0.190414 0.081573 O\n0.930959 0.309586 0.581574 O\n0.069040 0.809585 0.918427 O\n0.760497 0.845510 -0.001181 O\n0.239503 0.345510 0.501181 O\n0.565653 0.307424 0.597366 O\n0.760497 0.654490 0.498820 O\n0.741239 0.422604 0.818681 O\n0.741239 0.077396 0.318681 O\n0.258761 0.577396 0.181319 O\n0.258761 0.922604 0.681319 O\n0.504793 0.075523 0.812065 O\n0.434347 0.807424 0.902634 O\n","nsites":52,"nelements":4,"elements":["Ca","Be","P","O"],"chemical_system":"Be-Ca-O-P","density":2.855862972167737,"density_atomic":0.09013656202815966,"volume":576.9024115181431,"volume_molar":6.6811298595109685,"formula_full":"Ca4 Be8 P8 O32","formula_reduced":"CaBe2(PO4)2","formula_anonymous":"AB2C2D8","energy_above_hull":2.471248586153846,"spacegroup":14},{"id":"jvasp-49589","created_at":"2022-09-04T14:37:18.155163Z","updated_at":"2022-09-04T14:37:18.155184Z","structure_string":"Mg4 Nb4 Fe2 O16\n1.0\n-5.172585 -0.000024 0.000114\n-0.000188 -5.990417 -0.000909\n0.157467 2.993312 9.520347\nMg Nb Fe O\n4 4 2 16\ndirect\n0.754541 0.588227 0.459041 Mg\n0.748534 0.129944 0.542429 Mg\n0.248544 0.411444 0.542454 Mg\n0.254550 0.869726 0.459061 Mg\n0.749409 0.716730 0.770697 Nb\n0.753671 0.946758 0.230785 Nb\n0.253656 0.282929 0.230795 Nb\n0.249390 0.052899 0.770700 Nb\n0.251531 0.642238 0.000749 Fe\n0.751525 0.357409 0.000739 Fe\n0.888998 0.452819 0.619135 O\n0.614083 0.834426 0.382352 O\n0.114075 0.546853 0.382354 O\n0.388996 0.165241 0.619138 O\n0.045184 0.084278 0.375644 O\n0.457889 0.709389 0.625834 O\n0.086166 0.319393 0.883939 O\n0.911201 0.183863 0.138519 O\n0.916882 0.680264 0.117542 O\n0.586176 0.563474 0.883940 O\n0.591852 0.046077 0.862968 O\n0.957889 0.915384 0.625840 O\n0.411209 0.953569 0.138524 O\n0.091858 0.815794 0.862970 O\n0.416874 0.436161 0.117540 O\n0.545186 0.290276 0.375655 O\n","nsites":26,"nelements":4,"elements":["Mg","Nb","Fe","O"],"chemical_system":"Fe-Mg-Nb-O","density":4.70903147065381,"density_atomic":0.08814068900614883,"volume":294.9829448030092,"volume_molar":6.832418520780893,"formula_full":"Mg4 Nb4 Fe2 O16","formula_reduced":"Mg2Nb2FeO8","formula_anonymous":"AB2C2D8","energy_above_hull":2.8258392615384613,"spacegroup":15},{"id":"jvasp-85764","created_at":"2022-09-04T14:36:19.637660Z","updated_at":"2022-09-04T14:36:19.637687Z","structure_string":"K2 Pb1 S2 O8\n1.0\n6.384573 0.708636 8.477214\n3.339263 5.487647 8.477214\n1.112064 0.708636 10.554110\nK Pb S O\n2 1 2 8\ndirect\n0.726219 0.726223 0.726220 K\n0.273779 0.273780 0.273779 K\n0.499999 0.500001 0.500000 Pb\n0.592773 0.592777 0.592775 S\n0.407224 0.407226 0.407225 S\n0.715961 0.715964 0.289979 O\n0.284036 0.710021 0.284037 O\n0.715961 0.289981 0.715962 O\n0.710019 0.284039 0.284037 O\n0.284036 0.284039 0.710020 O\n0.359329 0.359331 0.359330 O\n0.289978 0.715964 0.715962 O\n0.640668 0.640672 0.640670 O\n","nsites":13,"nelements":4,"elements":["K","Pb","S","O"],"chemical_system":"K-O-Pb-S","density":2.817294720623324,"density_atomic":0.04618844414772304,"volume":281.45568095826115,"volume_molar":13.038197911017697,"formula_full":"K2 Pb1 S2 O8","formula_reduced":"K2Pb(SO4)2","formula_anonymous":"AB2C2D8","energy_above_hull":1.910718832307692,"spacegroup":166},{"id":"jvasp-86695","created_at":"2022-09-04T14:35:41.048650Z","updated_at":"2022-09-04T14:35:41.048673Z","structure_string":"Rb2 Hg2 Pd1 Cl8\n1.0\n6.368097 0.039047 1.932409\n2.754388 5.741736 1.932409\n-0.037039 -0.023470 9.834079\nRb Hg Pd Cl\n2 2 1 8\ndirect\n0.397295 0.397295 0.829109 Rb\n0.602705 0.602706 0.170891 Rb\n0.866074 0.866075 0.400908 Hg\n0.133926 0.133926 0.599092 Hg\n0.000000 0.000000 0.000000 Pd\n0.085111 0.085111 0.305976 Cl\n0.106719 0.623961 0.134386 Cl\n0.647880 0.647881 0.503489 Cl\n0.376039 0.893282 0.865614 Cl\n0.352119 0.352120 0.496511 Cl\n0.623961 0.106720 0.134386 Cl\n0.893281 0.376040 0.865614 Cl\n0.914889 0.914890 0.694024 Cl\n","nsites":13,"nelements":4,"elements":["Rb","Hg","Pd","Cl"],"chemical_system":"Cl-Hg-Pd-Rb","density":4.449349676303782,"density_atomic":0.03620292627704166,"volume":359.08699480583266,"volume_molar":16.634403290816255,"formula_full":"Rb2 Hg2 Pd1 Cl8","formula_reduced":"Rb2Hg2PdCl8","formula_anonymous":"AB2C2D8","energy_above_hull":0.0,"spacegroup":12},{"id":"jvasp-39190","created_at":"2022-09-04T14:38:20.547735Z","updated_at":"2022-09-04T14:38:20.547750Z","structure_string":"Na2 Cr1 H2 F8\n1.0\n2.279072 0.000000 -4.880965\n-3.686394 -3.961936 -0.008642\n-3.686394 3.961936 -0.008642\nNa Cr H F\n2 1 2 8\ndirect\n0.499999 0.735376 0.264621 Na\n0.499999 0.264621 0.735376 Na\n0.000000 0.000000 0.000000 Cr\n0.780531 0.344272 0.344272 H\n0.219469 0.655728 0.655728 H\n0.776779 0.674231 0.001021 F\n0.776912 0.140879 0.140879 F\n0.223221 0.998980 0.325770 F\n0.733172 0.459442 0.459442 F\n0.266828 0.540557 0.540557 F\n0.776779 0.001021 0.674231 F\n0.223088 0.859120 0.859120 F\n0.223221 0.325770 0.998980 F\n","nsites":13,"nelements":4,"elements":["Na","Cr","H","F"],"chemical_system":"Cr-F-H-Na","density":2.931520800563455,"density_atomic":0.09108006414135321,"volume":142.7315639548127,"volume_molar":6.611919761775573,"formula_full":"Na2 Cr1 H2 F8","formula_reduced":"Na2CrH2F8","formula_anonymous":"AB2C2D8","energy_above_hull":0.5055052046153843,"spacegroup":12},{"id":"jvasp-19186","created_at":"2022-09-04T14:38:30.515153Z","updated_at":"2022-09-04T14:38:30.515181Z","structure_string":"Ta4 V2 Zn4 O16\n1.0\n5.296652 -0.000060 -0.015882\n-0.000132 5.921420 -0.001893\n-0.045811 -2.957251 9.543388\nTa V Zn O\n4 2 4 16\ndirect\n0.736049 0.732559 0.773620 Ta\n0.761935 0.959600 0.227760 Ta\n0.261944 0.270657 0.227767 Ta\n0.236057 0.043658 0.773632 Ta\n0.748965 0.361742 0.000691 V\n0.248971 0.641510 0.000693 V\n0.268601 0.872790 0.434985 Zn\n0.229406 0.438572 0.566457 Zn\n0.768616 0.564665 0.434944 Zn\n0.729416 0.130415 0.566411 Zn\n0.431159 0.723996 0.648026 O\n0.860271 0.456372 0.614898 O\n0.637717 0.842136 0.386494 O\n0.137745 0.546831 0.386511 O\n0.360296 0.161096 0.614893 O\n0.066848 0.076560 0.353349 O\n0.086757 0.322548 0.886793 O\n0.923406 0.187768 0.135045 O\n0.911174 0.680697 0.114575 O\n0.586756 0.566838 0.886802 O\n0.574586 0.053428 0.866343 O\n0.931183 0.926619 0.648017 O\n0.423406 0.949810 0.135035 O\n0.074570 0.815513 0.866354 O\n0.411162 0.436411 0.114578 O\n0.566859 0.279249 0.353357 O\n","nsites":26,"nelements":4,"elements":["Ta","V","Zn","O"],"chemical_system":"O-Ta-V-Zn","density":7.453183397583031,"density_atomic":0.08687458564326207,"volume":299.282002987217,"volume_molar":6.931993649706776,"formula_full":"Ta4 V2 Zn4 O16","formula_reduced":"Ta2VZn2O8","formula_anonymous":"AB2C2D8","energy_above_hull":3.0185316461538463,"spacegroup":15},{"id":"jvasp-117302","created_at":"2022-09-04T14:38:26.339510Z","updated_at":"2022-09-04T14:38:26.339535Z","structure_string":"Li4 Mn2 P4 O16\n1.0\n4.618818 0.029829 -1.140928\n-0.860385 7.215592 -3.493020\n0.021478 -0.041446 8.626390\nLi Mn P O\n4 2 4 16\ndirect\n0.117073 0.912924 0.684027 Li\n0.363188 0.589265 0.392446 Li\n0.636813 0.410734 0.607554 Li\n0.882930 0.087076 0.315974 Li\n0.274039 0.762647 0.035693 Mn\n0.725963 0.237353 0.964308 Mn\n0.864142 0.682383 0.237226 P\n0.685142 0.800481 0.805649 P\n0.135859 0.317617 0.762774 P\n0.314859 0.199518 0.194351 P\n0.379825 0.336845 0.387939 O\n0.979012 0.261393 0.568862 O\n0.996387 0.183078 0.819988 O\n0.530629 0.702265 0.211170 O\n0.448554 0.015926 0.177446 O\n0.449715 0.285755 0.095704 O\n0.620177 0.663154 0.612060 O\n0.020990 0.738607 0.431139 O\n0.551447 0.984074 0.822553 O\n0.469370 0.297734 0.788829 O\n0.003616 0.816922 0.180011 O\n0.914887 0.479637 0.121522 O\n0.085115 0.520361 0.878477 O\n0.025088 0.840716 0.876835 O\n0.550286 0.714244 0.904296 O\n0.974915 0.159283 0.123165 O\n","nsites":26,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.9924206459301064,"density_atomic":0.09053470846840979,"volume":287.1826776696604,"volume_molar":6.651748110616937,"formula_full":"Li4 Mn2 P4 O16","formula_reduced":"Li2Mn(PO4)2","formula_anonymous":"AB2C2D8","energy_above_hull":2.7449250954907165,"spacegroup":2},{"id":"jvasp-46716","created_at":"2022-09-04T14:38:18.197426Z","updated_at":"2022-09-04T14:38:18.197446Z","structure_string":"Li1 Mn2 P2 O8\n1.0\n2.562411 1.487347 -3.914036\n-2.562411 4.182149 0.203736\n5.109736 2.687328 4.106350\nLi Mn P O\n1 2 2 8\ndirect\n0.495535 0.495535 0.000000 Li\n0.959826 0.959827 0.000000 Mn\n0.548530 0.548530 0.500000 Mn\n0.479571 0.016694 0.249494 P\n0.016694 0.479571 0.750506 P\n0.564119 0.712472 0.239207 O\n0.636999 0.152084 0.075981 O\n0.147885 0.568866 0.562933 O\n0.172696 0.044727 0.220740 O\n0.044727 0.172696 0.779260 O\n0.568866 0.147885 0.437067 O\n0.152084 0.636999 0.924020 O\n0.712472 0.564119 0.760794 O\n","nsites":13,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.989451930365447,"density_atomic":0.07629346920902949,"volume":170.39466332802996,"volume_molar":7.893389594724664,"formula_full":"Li1 Mn2 P2 O8","formula_reduced":"LiMn2(PO4)2","formula_anonymous":"AB2C2D8","energy_above_hull":3.091887960212202,"spacegroup":5},{"id":"jvasp-24984","created_at":"2022-09-04T14:38:18.996548Z","updated_at":"2022-09-04T14:38:18.996577Z","structure_string":"Na4 Cd2 S4 O16\n1.0\n6.167947 -0.001437 2.076695\n0.649808 6.133621 2.076695\n-0.023994 -0.021581 8.649573\nNa Cd S O\n4 2 4 16\ndirect\n0.307457 0.419377 0.436326 Na\n0.692545 0.580622 0.563674 Na\n0.580623 0.692544 0.063675 Na\n0.419378 0.307456 0.936326 Na\n0.933731 0.066269 0.250000 Cd\n0.066270 0.933731 0.750000 Cd\n0.977054 0.403805 0.811015 S\n0.596195 0.022947 0.688986 S\n0.403806 0.977053 0.311015 S\n0.022947 0.596195 0.188986 S\n0.049780 0.228477 0.946739 O\n0.995915 0.687139 0.334403 O\n0.122764 0.580016 0.748566 O\n0.312861 0.004086 0.165598 O\n0.877238 0.419983 0.251435 O\n0.004087 0.312860 0.665597 O\n0.512389 0.254607 0.632965 O\n0.687141 0.995913 0.834403 O\n0.254607 0.512388 0.132965 O\n0.950221 0.771523 0.053261 O\n0.419985 0.877237 0.751435 O\n0.745394 0.487612 0.867036 O\n0.771524 0.950220 0.553261 O\n0.580017 0.122763 0.248566 O\n0.487613 0.745393 0.367036 O\n0.228477 0.049780 0.446740 O\n","nsites":26,"nelements":4,"elements":["Na","Cd","S","O"],"chemical_system":"Cd-Na-O-S","density":3.5513244636758468,"density_atomic":0.07931897343588902,"volume":327.79042483467043,"volume_molar":7.592307992825327,"formula_full":"Na4 Cd2 S4 O16","formula_reduced":"Na2Cd(SO4)2","formula_anonymous":"AB2C2D8","energy_above_hull":1.7366542884615384,"spacegroup":15},{"id":"jvasp-46717","created_at":"2022-09-04T14:38:18.809071Z","updated_at":"2022-09-04T14:38:18.809101Z","structure_string":"Li2 Mn4 P4 O16\n1.0\n0.000000 8.513021 0.082096\n4.970491 0.000000 0.000000\n0.000000 -5.624257 -8.243491\nLi Mn P O\n2 4 4 16\ndirect\n0.503079 0.569014 0.994655 Li\n0.503079 0.430986 0.494655 Li\n0.494885 0.091642 0.765448 Mn\n0.000557 0.447926 0.230131 Mn\n0.000556 0.552074 0.730131 Mn\n0.494885 0.908358 0.265448 Mn\n0.747409 0.429873 0.364269 P\n0.248515 0.055767 0.885893 P\n0.747409 0.570127 0.864269 P\n0.248515 0.944232 0.385893 P\n0.936533 0.512715 0.391869 O\n0.742327 0.517526 0.512351 O\n0.715144 0.125176 0.333167 O\n0.276404 0.005105 0.049945 O\n0.572651 0.581281 0.213000 O\n0.260206 0.360540 0.852791 O\n0.276403 -0.005105 0.549945 O\n0.572651 0.418719 0.713000 O\n0.742327 0.482473 0.012352 O\n0.057617 0.057874 0.243075 O\n0.422186 0.919007 0.895259 O\n0.936533 0.487285 0.891869 O\n0.260206 0.639460 0.352791 O\n0.715143 0.874824 0.833167 O\n0.057617 0.942126 0.743075 O\n0.422186 0.080993 0.395259 O\n","nsites":26,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.940019916859145,"density_atomic":0.07503192030701307,"volume":346.5191866823357,"volume_molar":8.02610507016055,"formula_full":"Li2 Mn4 P4 O16","formula_reduced":"LiMn2(PO4)2","formula_anonymous":"AB2C2D8","energy_above_hull":3.091988729442971,"spacegroup":7}]}