{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=564","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=562","results":[{"id":"jvasp-25569","created_at":"2022-09-04T14:37:45.522975Z","updated_at":"2022-09-04T14:37:45.522988Z","structure_string":"K8 Ba2 Ge6 O18\n1.0\n7.514592 0.003284 -0.050505\n-2.794506 6.975660 -0.050505\n-0.008896 -0.013154 11.440485\nK Ba Ge O\n8 2 6 18\ndirect\n0.842277 0.706774 0.749035 K\n0.056490 0.943510 -0.000000 K\n0.293226 0.157722 0.250965 K\n0.565663 0.434336 -0.000000 K\n0.586282 0.413717 0.500000 K\n0.418280 0.686116 0.254840 K\n0.996396 0.003603 0.500000 K\n0.313883 0.581720 0.745159 K\n0.801247 0.183552 0.224699 Ba\n0.816446 0.198752 0.775300 Ba\n0.101337 0.505989 0.032356 Ge\n0.488143 0.911143 0.522401 Ge\n0.494010 0.898663 0.967644 Ge\n0.886845 0.666339 0.259219 Ge\n0.333660 0.113154 0.740780 Ge\n0.088857 0.511856 0.477598 Ge\n0.108988 0.287383 0.075213 O\n0.712616 0.891012 0.924786 O\n0.483745 0.055169 0.078617 O\n0.974374 0.459994 0.612829 O\n0.093042 0.328436 0.384377 O\n0.671563 0.906958 0.615622 O\n0.660093 0.480513 0.246145 O\n0.374120 0.935913 0.834441 O\n0.345384 0.654615 0.500000 O\n0.064087 0.625879 0.165559 O\n0.944830 0.516255 0.921383 O\n0.350805 0.649194 -0.000000 O\n0.335694 0.021651 0.592361 O\n0.099552 0.094500 0.761720 O\n0.905500 0.900447 0.238279 O\n0.540005 0.025625 0.387171 O\n0.978348 0.664306 0.407639 O\n0.519486 0.339907 0.753854 O\n","nsites":34,"nelements":4,"elements":["K","Ba","Ge","O"],"chemical_system":"Ba-Ge-K-O","density":3.6302551046522535,"density_atomic":0.05668589024288368,"volume":599.796525278499,"volume_molar":10.623703242900056,"formula_full":"K8 Ba2 Ge6 O18","formula_reduced":"K4Ba(GeO3)3","formula_anonymous":"AB3C4D9","energy_above_hull":1.3627863129411764,"spacegroup":5},{"id":"jvasp-119178","created_at":"2022-09-04T14:38:48.893103Z","updated_at":"2022-09-04T14:38:48.893122Z","structure_string":"K1 Ba3 Fe8 As8\n1.0\n6.700412 -0.029611 1.983629\n-2.253687 7.552011 3.848523\n-0.023953 0.071375 7.848937\nK Ba Fe As\n1 3 8 8\ndirect\n0.000000 0.000000 0.000000 K\n-0.000033 0.492054 0.753915 Ba\n0.000000 0.000000 0.500000 Ba\n0.000033 0.507946 0.246085 Ba\n0.499648 0.874645 0.937406 Fe\n0.500491 0.874757 0.437831 Fe\n0.499313 0.375051 0.687642 Fe\n0.500142 0.375403 0.187258 Fe\n0.500352 0.125355 0.062594 Fe\n0.499858 0.624598 0.812742 Fe\n0.500687 0.624950 0.312358 Fe\n0.499509 0.125244 0.562169 Fe\n0.694115 0.173402 0.240140 As\n0.305714 0.326510 0.509955 As\n0.305770 0.325970 0.010929 As\n0.307281 0.826977 0.260047 As\n0.305885 0.826598 0.759860 As\n0.694286 0.673490 0.490045 As\n0.694230 0.674031 0.989071 As\n0.692719 0.173024 0.739953 As\n","nsites":20,"nelements":4,"elements":["K","Ba","Fe","As"],"chemical_system":"As-Ba-Fe-K","density":6.296566420148849,"density_atomic":0.05065255523907348,"volume":394.84681287257075,"volume_molar":11.889115428780006,"formula_full":"K1 Ba3 Fe8 As8","formula_reduced":"KBa3(FeAs)8","formula_anonymous":"AB3C8D8","energy_above_hull":2.7773976955,"spacegroup":2},{"id":"jvasp-104953","created_at":"2022-09-04T14:36:47.113421Z","updated_at":"2022-09-04T14:36:47.113446Z","structure_string":"K1 Ba1 Fe4 As4\n1.0\n7.109633 0.003875 0.000000\n-5.007966 5.046501 0.000000\n-0.000000 -0.000000 5.471397\nK Ba Fe As\n1 1 4 4\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.499999 0.500000 Ba\n0.499999 -0.000000 0.750316 Fe\n-0.000000 0.500000 0.249685 Fe\n-0.000000 0.500000 0.750316 Fe\n0.499999 -0.000000 0.249685 Fe\n0.651856 0.348142 -0.000000 As\n0.151852 0.848147 0.500000 As\n0.848146 0.151852 0.500000 As\n0.348142 0.651857 -0.000000 As\n","nsites":10,"nelements":4,"elements":["K","Ba","Fe","As"],"chemical_system":"As-Ba-Fe-K","density":5.9137240279225844,"density_atomic":0.05091308234858421,"volume":196.41317199248456,"volume_molar":11.828277688568317,"formula_full":"K1 Ba1 Fe4 As4","formula_reduced":"KBa(FeAs)4","formula_anonymous":"ABC4D4","energy_above_hull":2.5678622970000005,"spacegroup":65},{"id":"jvasp-40432","created_at":"2022-09-04T14:37:56.051441Z","updated_at":"2022-09-04T14:37:56.051459Z","structure_string":"K4 Ba2 Cd2 Sb4\n1.0\n5.064518 0.000000 0.000000\n0.000000 8.562783 0.000000\n0.000000 0.000000 9.898473\nK Ba Cd Sb\n4 2 2 4\ndirect\n0.500000 0.976763 0.423669 K\n0.000000 0.652276 0.337964 K\n0.500000 0.476763 0.576331 K\n0.000000 0.152276 0.662036 K\n0.000000 0.003940 0.050561 Ba\n0.000000 0.503940 0.949439 Ba\n0.500000 0.847059 0.820513 Cd\n0.500000 0.347059 0.179487 Cd\n0.000000 0.758617 0.675942 Sb\n0.500000 0.715743 0.114948 Sb\n0.000000 0.258617 0.324058 Sb\n0.500000 0.215743 0.885052 Sb\n","nsites":12,"nelements":4,"elements":["K","Ba","Cd","Sb"],"chemical_system":"Ba-Cd-K-Sb","density":4.421193940465942,"density_atomic":0.027955031506558193,"volume":429.260829027677,"volume_molar":21.542242792991377,"formula_full":"K4 Ba2 Cd2 Sb4","formula_reduced":"K2BaCdSb2","formula_anonymous":"ABC2D2","energy_above_hull":0.0,"spacegroup":26},{"id":"jvasp-116693","created_at":"2022-09-04T14:38:44.346089Z","updated_at":"2022-09-04T14:38:44.346116Z","structure_string":"K1 Ba2 Bi2 O9\n1.0\n5.920509 0.000000 0.000000\n-2.960254 5.127311 0.000000\n-0.000000 -0.000000 7.843417\nK Ba Bi O\n1 2 2 9\ndirect\n0.000000 0.000000 0.000000 K\n0.666667 0.333333 0.354636 Ba\n0.333334 0.666667 0.645364 Ba\n0.333334 0.666667 0.159108 Bi\n0.666667 0.333333 0.840893 Bi\n0.500000 -0.000000 -0.000000 O\n0.824849 0.649697 0.667326 O\n0.175152 0.350303 0.332674 O\n0.824849 0.175151 0.667326 O\n0.175152 0.824849 0.332674 O\n0.500000 0.500000 -0.000000 O\n0.649698 0.824849 0.332674 O\n0.000000 0.500000 -0.000000 O\n0.350303 0.175151 0.667326 O\n","nsites":14,"nelements":4,"elements":["K","Ba","Bi","O"],"chemical_system":"Ba-Bi-K-O","density":6.10737032375626,"density_atomic":0.0587995529628711,"volume":238.0970482690622,"volume_molar":10.241813851548622,"formula_full":"K1 Ba2 Bi2 O9","formula_reduced":"KBa2Bi2O9","formula_anonymous":"AB2C2D9","energy_above_hull":1.851455717142857,"spacegroup":164},{"id":"jvasp-121348","created_at":"2022-09-04T14:38:54.588611Z","updated_at":"2022-09-04T14:38:54.588647Z","structure_string":"K1 Ba3 Bi4 O12\n1.0\n6.157646 -0.000000 0.000000\n0.000000 6.208003 0.000000\n-0.000000 -0.000000 8.699477\nK Ba Bi O\n1 3 4 12\ndirect\n0.500000 0.008616 0.500000 K\n-0.000000 0.495978 -0.000000 Ba\n0.500000 0.996179 -0.000000 Ba\n-0.000000 0.493366 0.500000 Ba\n-0.000000 0.998000 0.252200 Bi\n0.500000 0.500767 0.747936 Bi\n-0.000000 0.998000 0.747800 Bi\n0.500000 0.500767 0.252064 Bi\n0.752084 0.746370 0.788451 O\n0.242623 0.258626 0.273963 O\n0.242623 0.258626 0.726037 O\n0.752084 0.746370 0.211549 O\n0.247917 0.746370 0.788451 O\n0.500000 0.560257 0.500000 O\n0.500000 0.440253 -0.000000 O\n-0.000000 0.935321 0.500000 O\n0.247917 0.746370 0.211549 O\n-0.000000 0.052509 -0.000000 O\n0.757377 0.258626 0.273963 O\n0.757377 0.258626 0.726037 O\n","nsites":20,"nelements":4,"elements":["K","Ba","Bi","O"],"chemical_system":"Ba-Bi-K-O","density":7.385087431229666,"density_atomic":0.06014094049371697,"volume":332.5521655599888,"volume_molar":10.013379755225383,"formula_full":"K1 Ba3 Bi4 O12","formula_reduced":"KBa3(BiO3)4","formula_anonymous":"AB3C4D12","energy_above_hull":1.8582117555,"spacegroup":25},{"id":"jvasp-12547","created_at":"2022-09-04T14:38:15.693132Z","updated_at":"2022-09-04T14:38:15.693145Z","structure_string":"K2 Ba8 Bi6 O2\n1.0\n8.165436 -0.000000 -3.869418\n-1.833630 7.956893 -3.869418\n0.012678 0.015932 10.577016\nK Ba Bi O\n2 8 6 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 -0.000000 K\n0.502228 0.688015 0.690242 Ba\n0.002227 0.502227 0.690242 Ba\n0.188015 0.002227 0.690243 Ba\n0.688015 0.188015 0.690243 Ba\n-0.002227 0.497772 0.309758 Ba\n0.311985 0.811985 0.309758 Ba\n0.497773 0.311985 0.309758 Ba\n0.811985 -0.002227 0.309758 Ba\n0.750000 0.750000 0.500000 Bi\n0.250000 0.250000 0.500000 Bi\n0.378114 0.878114 -0.000000 Bi\n0.878114 0.621886 -0.000000 Bi\n0.621886 0.121886 -0.000000 Bi\n0.121886 0.378114 -0.000000 Bi\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n","nsites":18,"nelements":4,"elements":["K","Ba","Bi","O"],"chemical_system":"Ba-Bi-K-O","density":5.9420688535815085,"density_atomic":0.02615475586028703,"volume":688.2113561354597,"volume_molar":23.0250314404346,"formula_full":"K2 Ba8 Bi6 O2","formula_reduced":"KBa4Bi3O","formula_anonymous":"ABC3D4","energy_above_hull":0.2720342533333333,"spacegroup":140},{"id":"jvasp-98426","created_at":"2022-09-04T14:36:10.983796Z","updated_at":"2022-09-04T14:36:10.983807Z","structure_string":"K2 B10 H16 O24\n1.0\n11.007103 0.000000 0.000000\n0.000000 5.600404 4.371906\n0.000000 -5.600404 4.371906\nK B H O\n2 10 16 24\ndirect\n0.500000 0.487362 0.487362 K\n0.000000 0.987362 0.987362 K\n0.206978 0.433900 0.547832 B\n0.793022 0.547832 0.433900 B\n0.706977 0.047832 0.933900 B\n0.191630 0.393330 0.203793 B\n0.293022 0.933900 0.047832 B\n0.308369 0.893331 0.703793 B\n0.691630 0.703793 0.893331 B\n0.000000 0.393995 0.393995 B\n0.500000 0.893995 0.893995 B\n0.808369 0.203793 0.393330 B\n0.341956 0.395680 0.050018 H\n0.252351 0.443896 0.824635 H\n0.747649 0.824635 0.443896 H\n0.752350 0.324636 0.943895 H\n0.158044 0.895680 0.550019 H\n0.841955 0.550019 0.895680 H\n0.658044 0.050018 0.395680 H\n0.247649 0.943895 0.324636 H\n0.024131 0.509164 0.799312 H\n0.524131 0.299312 0.009164 H\n0.475869 0.009164 0.299312 H\n0.988067 0.022242 0.501985 H\n0.011933 0.501985 0.022242 H\n0.511932 0.522241 0.001985 H\n0.488067 0.001985 0.522241 H\n0.975869 0.799312 0.509164 H\n0.249589 0.880436 0.531580 O\n0.749589 0.031580 0.380435 O\n0.250411 0.380435 0.031580 O\n0.785534 0.200115 0.961961 O\n0.285534 0.461961 0.700115 O\n0.714465 0.700115 0.461961 O\n0.750411 0.531580 0.880436 O\n0.514342 0.072934 0.425410 O\n0.485658 0.425410 0.072934 O\n0.214465 0.961961 0.200115 O\n0.262110 0.419933 0.369268 O\n0.083320 0.423033 0.562832 O\n0.237890 0.919934 0.869268 O\n0.762110 0.869268 0.919934 O\n0.916679 0.562832 0.423033 O\n0.416680 0.923033 0.062833 O\n0.583320 0.062833 0.923033 O\n0.067723 0.380344 0.210019 O\n0.932277 0.210019 0.380344 O\n0.432277 0.880345 0.710020 O\n0.567723 0.710020 0.880345 O\n0.985658 0.572934 0.925411 O\n0.737890 0.369268 0.419933 O\n0.014342 0.925411 0.572934 O\n","nsites":52,"nelements":4,"elements":["K","B","H","O"],"chemical_system":"B-H-K-O","density":1.8066087500644807,"density_atomic":0.09647396871469946,"volume":539.0055026530375,"volume_molar":6.242244244982971,"formula_full":"K2 B10 H16 O24","formula_reduced":"KB5(H2O3)4","formula_anonymous":"AB5C8D12","energy_above_hull":3.4212478044871792,"spacegroup":41},{"id":"jvasp-55721","created_at":"2022-09-04T14:38:02.915209Z","updated_at":"2022-09-04T14:38:02.915242Z","structure_string":"K3 B12 H12 I1\n1.0\n6.893244 0.002630 -0.467930\n-0.500949 6.875017 -0.467930\n0.002445 0.002630 6.909107\nK B H I\n3 12 12 1\ndirect\n0.499999 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n-0.000000 0.500000 0.500000 K\n0.161347 0.876120 0.876120 B\n0.123880 0.838652 0.123880 B\n0.123879 0.123880 0.838652 B\n0.937744 0.761926 0.937745 B\n0.937744 0.937745 0.761926 B\n0.761924 0.937745 0.937745 B\n0.238074 0.062255 0.062255 B\n0.062255 0.238075 0.062255 B\n0.062255 0.062255 0.238075 B\n0.876119 0.876120 0.161348 B\n0.838652 0.123880 0.123880 B\n0.876119 0.161348 0.876120 B\n0.786437 0.786438 0.274312 H\n0.213562 0.213562 0.725688 H\n0.106876 0.407077 0.106876 H\n0.106876 0.106876 0.407077 H\n0.407077 0.106876 0.106876 H\n0.592922 0.893124 0.893124 H\n0.893123 0.592923 0.893124 H\n0.893123 0.893124 0.592923 H\n0.725688 0.213562 0.213562 H\n0.274311 0.786438 0.786438 H\n0.786437 0.274312 0.786438 H\n0.213562 0.725688 0.213562 H\n0.499999 0.500000 0.500000 I\n","nsites":28,"nelements":4,"elements":["K","B","H","I"],"chemical_system":"B-H-I-K","density":1.9575482184794692,"density_atomic":0.08550748135312572,"volume":327.45672725836243,"volume_molar":7.0428232298528135,"formula_full":"K3 B12 H12 I1","formula_reduced":"K3B12H12I","formula_anonymous":"AB3C12D12","energy_above_hull":3.718745759821428,"spacegroup":166},{"id":"jvasp-96258","created_at":"2022-09-04T14:36:09.519007Z","updated_at":"2022-09-04T14:36:09.519023Z","structure_string":"K3 B12 H12 Br1\n1.0\n6.783660 -0.005350 -0.416018\n-0.441985 6.769248 -0.416018\n-0.005017 -0.005350 6.796402\nK B H Br\n3 12 12 1\ndirect\n0.500000 0.500000 -0.000000 K\n0.000000 0.500000 0.500000 K\n0.500000 -0.000000 0.500000 K\n0.873919 0.873918 0.164526 B\n0.873918 0.164527 0.873917 B\n0.835473 0.126082 0.126082 B\n0.126082 0.126082 0.835473 B\n0.126083 0.835473 0.126082 B\n0.062225 0.062225 0.241065 B\n0.164527 0.873918 0.873917 B\n0.241065 0.062225 0.062225 B\n0.758935 0.937775 0.937774 B\n0.937775 0.937775 0.758934 B\n0.937775 0.758935 0.937774 B\n0.062225 0.241065 0.062225 B\n0.278727 0.782033 0.782032 H\n0.721273 0.217967 0.217967 H\n0.217967 0.217967 0.721273 H\n0.217967 0.721273 0.217967 H\n0.892479 0.892479 0.588152 H\n0.411847 0.107521 0.107521 H\n0.588153 0.892479 0.892478 H\n0.107521 0.107521 0.411847 H\n0.107521 0.411847 0.107521 H\n0.782033 0.278727 0.782032 H\n0.892479 0.588153 0.892478 H\n0.782033 0.782033 0.278727 H\n0.500000 0.500000 0.500000 Br\n","nsites":28,"nelements":4,"elements":["K","B","H","Br"],"chemical_system":"B-Br-H-K","density":1.8041107746271903,"density_atomic":0.08973025416072006,"volume":312.0463689966585,"volume_molar":6.711382706231348,"formula_full":"K3 B12 H12 Br1","formula_reduced":"K3B12H12Br","formula_anonymous":"AB3C12D12","energy_above_hull":3.72874925375,"spacegroup":166},{"id":"jvasp-96560","created_at":"2022-09-04T14:35:52.507303Z","updated_at":"2022-09-04T14:35:52.507323Z","structure_string":"K2 B2 C8 N8\n1.0\n6.344802 0.000012 -2.796049\n-1.232181 6.224011 -2.796039\n-0.018166 -0.022130 8.555623\nK B C N\n2 2 8 8\ndirect\n0.625000 0.875000 0.249999 K\n0.374999 0.125000 0.749999 K\n0.874999 0.625000 0.749999 B\n0.125000 0.375000 0.250000 B\n0.699921 0.408333 0.622210 C\n0.213877 0.199921 0.122210 C\n0.077711 0.286123 0.377789 C\n0.922288 0.713877 0.622210 C\n0.091666 0.577711 0.877789 C\n0.786122 0.800078 0.877788 C\n0.300078 0.591666 0.377789 C\n0.908333 0.422289 0.122210 C\n0.749951 0.461414 0.032954 N\n0.716995 0.928459 0.967044 N\n0.961414 0.783003 0.532954 N\n0.283004 0.071540 0.032955 N\n0.250048 0.538585 0.967045 N\n0.571540 0.249951 0.532954 N\n0.038585 0.216996 0.467045 N\n0.428459 0.750049 0.467045 N\n","nsites":20,"nelements":4,"elements":["K","B","C","N"],"chemical_system":"B-C-K-N","density":1.517086239343975,"density_atomic":0.059333498820589775,"volume":337.0777115382187,"volume_molar":10.149647129709145,"formula_full":"K2 B2 C8 N8","formula_reduced":"KB(CN)4","formula_anonymous":"ABC4D4","energy_above_hull":5.7802893583333335,"spacegroup":88},{"id":"jvasp-62899","created_at":"2022-09-04T14:35:52.695683Z","updated_at":"2022-09-04T14:35:52.695720Z","structure_string":"K4 B2 C6 N6\n1.0\n0.000000 5.333068 6.622276\n4.489197 0.000000 6.622276\n4.489197 5.333068 0.000000\nK B C N\n4 2 6 6\ndirect\n0.204220 0.384609 0.624825 K\n0.365392 0.545781 0.963652 K\n0.125176 0.963652 0.545780 K\n0.786349 0.624825 0.384608 K\n0.788122 0.211879 0.211879 B\n0.538121 0.961880 0.961879 B\n0.916095 0.971904 0.287067 C\n0.778097 0.833907 0.925065 C\n0.462933 0.925065 0.833906 C\n0.370742 0.129258 0.129258 C\n0.620742 0.379258 0.379258 C\n0.824936 0.287067 0.971904 C\n0.964944 0.731522 0.904386 N\n0.488606 0.511395 0.511394 N\n0.238606 0.261394 0.261394 N\n0.845614 0.350851 0.785057 N\n0.018479 0.785057 0.350851 N\n0.399149 0.904387 0.731521 N\n","nsites":18,"nelements":4,"elements":["K","B","C","N"],"chemical_system":"B-C-K-N","density":1.749717728611834,"density_atomic":0.05676615086363321,"volume":317.0903738610109,"volume_molar":10.608682583511293,"formula_full":"K4 B2 C6 N6","formula_reduced":"K2B(CN)3","formula_anonymous":"AB2C3D3","energy_above_hull":4.721117592592592,"spacegroup":43}]}