{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4335","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4333","results":[{"id":"jvasp-103954","created_at":"2022-09-04T14:36:56.426177Z","updated_at":"2022-09-04T14:36:56.426196Z","structure_string":"Hf1 H12 C8 O4\n1.0\n4.057334 -0.000826 0.557365\n1.268573 3.920540 0.284735\n0.003982 0.095367 11.948136\nHf H C O\n1 12 8 4\ndirect\n0.980264 0.600541 0.876626 Hf\n0.836821 0.103339 0.396252 H\n0.805889 0.298123 0.576746 H\n0.255642 0.081828 0.551109 H\n0.138864 0.414249 0.373740 H\n0.413963 0.494473 0.460248 H\n0.711114 0.793662 0.483046 H\n0.682003 0.532532 0.274823 H\n0.756465 0.681991 0.092486 H\n0.534124 0.119358 0.093467 H\n0.008159 -0.000423 0.192896 H\n0.190735 0.558799 0.168383 H\n0.492691 0.962456 0.307870 H\n0.498341 0.870987 0.083455 C\n0.254005 0.790308 0.183847 C\n0.430393 0.731191 0.292166 C\n0.233565 0.615795 0.398390 C\n0.452170 0.853420 0.960687 C\n0.998784 0.047621 0.562282 C\n0.965934 0.844701 0.670477 C\n0.929020 0.893585 0.457489 C\n0.477373 0.512346 0.932438 O\n0.704054 0.950361 0.744311 O\n0.199884 0.565814 0.696993 O\n0.124518 0.055477 0.923286 O\n","nsites":25,"nelements":4,"elements":["Hf","H","C","O"],"chemical_system":"C-H-Hf-O","density":3.0644178286928914,"density_atomic":0.13156554246206836,"volume":190.01935865698076,"volume_molar":4.577293299829051,"formula_full":"Hf1 H12 C8 O4","formula_reduced":"HfH12(C2O)4","formula_anonymous":"AB4C8D12","energy_above_hull":4.795610279999999,"spacegroup":1},{"id":"jvasp-103949","created_at":"2022-09-04T14:36:56.332562Z","updated_at":"2022-09-04T14:36:56.332586Z","structure_string":"Zr1 H12 C8 O4\n1.0\n4.074109 0.004085 0.612120\n1.296259 3.951802 0.263144\n0.013702 0.097891 11.968488\nZr H C O\n1 12 8 4\ndirect\n0.985744 0.595059 0.876199 Zr\n0.832921 0.099548 0.396110 H\n0.794924 0.300529 0.576562 H\n0.244836 0.090493 0.548160 H\n0.138572 0.416227 0.373255 H\n0.408004 0.496992 0.460074 H\n0.708139 0.795048 0.484213 H\n0.683472 0.531116 0.274495 H\n0.762595 0.682402 0.091516 H\n0.534096 0.116118 0.093147 H\n0.013219 0.994517 0.194286 H\n0.198627 0.557116 0.168314 H\n0.491985 0.958375 0.308718 H\n0.503456 0.867597 0.083678 C\n0.259556 0.787000 0.184440 C\n0.431665 0.728898 0.292384 C\n0.231241 0.616354 0.398273 C\n0.452119 0.845535 0.962203 C\n0.990639 0.052925 0.561269 C\n0.963998 0.853155 0.669744 C\n0.924629 0.894233 0.457526 C\n0.482908 0.508420 0.933821 O\n0.710088 0.964983 0.747027 O\n0.195572 0.571449 0.691833 O\n0.131797 0.048459 0.926250 O\n","nsites":25,"nelements":4,"elements":["Zr","H","C","O"],"chemical_system":"C-H-O-Zr","density":2.271333531691284,"density_atomic":0.1298230966302952,"volume":192.5697402766008,"volume_molar":4.638728328249326,"formula_full":"Zr1 H12 C8 O4","formula_reduced":"ZrH12(C2O)4","formula_anonymous":"AB4C8D12","energy_above_hull":4.73568314,"spacegroup":1},{"id":"jvasp-116717","created_at":"2022-09-04T14:38:45.058802Z","updated_at":"2022-09-04T14:38:45.058830Z","structure_string":"Ba4 Sr1 Fe5 O15\n1.0\n3.925392 -0.000000 0.000000\n0.000000 3.925392 0.000000\n-0.000000 -0.000000 19.627348\nBa Sr Fe O\n4 1 5 15\ndirect\n0.500000 0.500000 0.196152 Ba\n0.500000 0.500000 0.398777 Ba\n0.500000 0.500000 0.601223 Ba\n0.500000 0.500000 0.803848 Ba\n0.500000 0.500000 -0.000000 Sr\n0.000000 0.000000 0.903708 Fe\n0.000000 0.000000 0.096292 Fe\n0.000000 0.000000 0.298161 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.701839 Fe\n0.500000 0.000000 0.297228 O\n0.500000 0.000000 0.093714 O\n0.500000 0.000000 0.906286 O\n-0.000000 0.500000 0.702772 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.297228 O\n0.000000 0.000000 0.398466 O\n-0.000000 0.500000 0.906286 O\n0.000000 0.000000 0.805004 O\n0.000000 0.000000 0.601534 O\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.194996 O\n0.000000 0.000000 0.000000 O\n-0.000000 0.500000 0.093714 O\n0.500000 0.000000 0.702772 O\n","nsites":25,"nelements":4,"elements":["Ba","Sr","Fe","O"],"chemical_system":"Ba-Fe-O-Sr","density":6.347947675622621,"density_atomic":0.08266322026695011,"volume":302.4319633237824,"volume_molar":7.2851514138359,"formula_full":"Ba4 Sr1 Fe5 O15","formula_reduced":"Ba4Sr(FeO3)5","formula_anonymous":"AB4C5D15","energy_above_hull":2.5595484076,"spacegroup":123},{"id":"jvasp-112612","created_at":"2022-09-04T14:38:41.802392Z","updated_at":"2022-09-04T14:38:41.802410Z","structure_string":"Zr1 Ti4 Pb5 O15\n1.0\n14.242885 0.001892 0.000000\n-13.148967 5.473978 0.000000\n0.000000 0.000000 4.288694\nZr Ti Pb O\n1 4 5 15\ndirect\n0.500000 0.500000 0.547537 Zr\n0.102502 0.897498 0.535671 Ti\n0.897497 0.102502 0.535671 Ti\n0.299037 0.700963 0.537347 Ti\n0.700962 0.299037 0.537347 Ti\n0.603006 0.396993 0.995569 Pb\n0.000000 0.000000 0.992888 Pb\n0.396993 0.603006 0.995569 Pb\n0.799565 0.200434 0.996938 Pb\n0.200434 0.799566 0.996938 Pb\n0.299625 0.700375 0.122176 O\n0.896837 0.103162 0.120856 O\n0.700374 0.299625 0.122176 O\n0.293027 0.187233 0.620643 O\n0.899758 0.596659 0.624215 O\n0.100241 0.403341 0.624215 O\n0.000000 0.500000 0.621406 O\n0.500000 -0.000000 0.621406 O\n0.187233 0.293027 0.620643 O\n0.812766 0.706973 0.620643 O\n0.103163 0.896838 0.120856 O\n0.596659 0.899759 0.624215 O\n0.403341 0.100241 0.624215 O\n0.706973 0.812767 0.620643 O\n0.500000 0.500000 0.081701 O\n","nsites":25,"nelements":4,"elements":["Zr","Ti","Pb","O"],"chemical_system":"O-Pb-Ti-Zr","density":7.738241228795178,"density_atomic":0.07474383490861221,"volume":334.47574680329154,"volume_molar":8.057040112222166,"formula_full":"Zr1 Ti4 Pb5 O15","formula_reduced":"ZrTi4(PbO3)5","formula_anonymous":"AB4C5D15","energy_above_hull":2.811947377333333,"spacegroup":35},{"id":"jvasp-112181","created_at":"2022-09-04T14:38:45.122359Z","updated_at":"2022-09-04T14:38:45.122378Z","structure_string":"Cd1 H12 C8 O4\n1.0\n3.815931 0.032665 -0.479452\n-0.586659 4.304817 -0.610692\n0.148730 -0.181590 12.703338\nCd H C O\n1 12 8 4\ndirect\n0.043684 0.135006 0.167166 Cd\n0.410122 0.187868 0.517249 H\n0.116132 0.304016 0.897339 H\n0.562353 0.338219 0.949422 H\n0.265969 0.255971 0.709254 H\n0.720373 0.292415 0.753303 H\n0.352763 0.722897 0.620158 H\n0.870600 0.260431 0.556699 H\n0.246543 0.794730 0.815187 H\n0.695090 0.811515 0.864884 H\n0.434383 0.655095 0.424387 H\n0.889778 0.736108 0.465277 H\n0.807819 0.772693 0.665155 H\n0.286611 0.680901 0.025626 C\n0.352729 0.473931 0.925177 C\n0.452309 0.649236 0.835519 C\n0.503355 0.428174 0.734342 C\n0.633800 0.373900 0.539746 C\n0.669926 0.544622 0.444619 C\n0.750521 0.350011 0.343551 C\n0.575684 0.594379 0.640216 C\n0.061837 0.585354 0.084265 O\n0.616390 0.405520 0.251451 O\n0.968241 0.152517 0.348599 O\n0.441646 0.960469 0.049069 O\n","nsites":25,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.263823545463599,"density_atomic":0.11976078711074764,"volume":208.74946301815376,"volume_molar":5.028474599478947,"formula_full":"Cd1 H12 C8 O4","formula_reduced":"CdH12(C2O)4","formula_anonymous":"AB4C8D12","energy_above_hull":4.42222295,"spacegroup":1},{"id":"jvasp-112231","created_at":"2022-09-04T14:38:47.135234Z","updated_at":"2022-09-04T14:38:47.135262Z","structure_string":"H12 Pb1 C8 O4\n1.0\n3.973550 -0.082197 -0.188020\n-0.897760 4.237805 -0.082016\n-0.193053 0.036372 12.959467\nH Pb C O\n12 1 8 4\ndirect\n0.489076 0.236134 0.543409 H\n0.053121 0.143475 0.575839 H\n0.022995 0.161652 0.161910 H\n0.594626 0.093718 0.199687 H\n0.398927 0.717475 0.451774 H\n0.250998 0.194189 0.352134 H\n0.168771 0.684486 0.260707 H\n0.742505 0.617041 0.299314 H\n0.940262 0.667724 0.075600 H\n0.504335 0.575033 0.108061 H\n0.970540 0.649616 0.489533 H\n0.824731 0.126757 0.390740 H\n0.996677 0.905554 0.825733 Pb\n0.376176 0.542226 0.658680 C\n0.270223 0.340116 0.560811 C\n0.173746 0.529305 0.468598 C\n0.047917 0.316011 0.372414 C\n0.945592 0.495228 0.279034 C\n0.819765 0.281920 0.182855 C\n0.723191 0.471072 0.090645 C\n0.617184 0.268915 0.992786 C\n0.224853 0.452269 0.742169 O\n0.606296 0.798141 0.656709 O\n0.768533 0.358802 0.909296 O\n0.387007 0.013042 -0.005233 O\n","nsites":25,"nelements":4,"elements":["H","Pb","C","O"],"chemical_system":"C-H-O-Pb","density":2.9013262017270884,"density_atomic":0.11513696548836075,"volume":217.13269838197414,"volume_molar":5.23041469301949,"formula_full":"H12 Pb1 C8 O4","formula_reduced":"H12Pb(C2O)4","formula_anonymous":"AB4C8D12","energy_above_hull":4.5312793928,"spacegroup":2},{"id":"jvasp-117149","created_at":"2022-09-04T14:38:50.971593Z","updated_at":"2022-09-04T14:38:50.971633Z","structure_string":"Li8 Sm7 Ge10\n1.0\n16.898736 0.036256 0.000000\n-15.531100 6.659843 0.000000\n0.000000 0.000000 4.376074\nLi Sm Ge\n8 7 10\ndirect\n0.265923 0.115271 0.500000 Li\n0.734077 0.884729 0.500000 Li\n0.115271 0.265923 0.500000 Li\n0.884729 0.734077 0.500000 Li\n0.454485 0.169689 -0.000000 Li\n0.545516 0.830312 -0.000000 Li\n0.169688 0.454484 -0.000000 Li\n0.830312 0.545516 -0.000000 Li\n0.000000 0.000000 0.000000 Sm\n0.556668 0.443333 -0.000000 Sm\n0.720715 0.279285 0.500000 Sm\n0.443333 0.556667 -0.000000 Sm\n0.838658 0.161343 0.500000 Sm\n0.161342 0.838657 0.500000 Sm\n0.279285 0.720715 0.500000 Sm\n0.311635 0.311635 0.500000 Ge\n0.400291 0.971204 -0.000000 Ge\n0.599709 0.028797 -0.000000 Ge\n0.971204 0.400292 -0.000000 Ge\n0.028796 0.599708 -0.000000 Ge\n0.373743 0.626256 0.500000 Ge\n0.626257 0.373744 0.500000 Ge\n0.093776 0.906223 -0.000000 Ge\n0.906224 0.093777 -0.000000 Ge\n0.688365 0.688365 0.500000 Ge\n","nsites":25,"nelements":3,"elements":["Li","Sm","Ge"],"chemical_system":"Ge-Li-Sm","density":6.15437717678702,"density_atomic":0.05050909818859796,"volume":494.9603318327223,"volume_molar":11.922883155651851,"formula_full":"Li8 Sm7 Ge10","formula_reduced":"Li8Sm7Ge10","formula_anonymous":"A7B8C10","energy_above_hull":1.210341665,"spacegroup":65},{"id":"jvasp-112153","created_at":"2022-09-04T14:38:45.629284Z","updated_at":"2022-09-04T14:38:45.629336Z","structure_string":"Zr1 H12 C8 O4\n1.0\n4.120665 0.005645 0.006551\n1.398685 4.024497 -0.124557\n0.075067 -0.107080 11.690188\nZr H C O\n1 12 8 4\ndirect\n0.818113 0.539008 0.872724 Zr\n0.899883 0.100509 0.411309 H\n0.179949 0.258565 0.567459 H\n0.417360 0.834359 0.591480 H\n0.168923 0.431647 0.359900 H\n0.490812 0.475068 0.449660 H\n0.814919 0.793531 0.489620 H\n0.690643 0.519156 0.264634 H\n0.695544 0.685044 0.084673 H\n0.462952 0.110895 0.090808 H\n0.990636 0.004070 0.198211 H\n0.154774 0.575071 0.160005 H\n0.529011 0.937679 0.312932 H\n0.430581 0.866261 0.080459 C\n0.230091 0.794251 0.181987 C\n0.451186 0.721543 0.288954 C\n0.288297 0.612307 0.392103 C\n0.310993 0.831033 0.959117 C\n0.161703 0.009846 0.574413 C\n0.943659 0.006309 0.678571 C\n0.020774 0.888010 0.464360 C\n0.312737 0.496085 0.936779 O\n0.717540 0.270974 0.720120 O\n0.991046 0.723466 0.720180 O\n0.974624 0.040715 0.934030 O\n","nsites":25,"nelements":4,"elements":["Zr","H","C","O"],"chemical_system":"C-H-O-Zr","density":2.2579031820157462,"density_atomic":0.1290554552604222,"volume":193.71517422144046,"volume_molar":4.666320186037752,"formula_full":"Zr1 H12 C8 O4","formula_reduced":"ZrH12(C2O)4","formula_anonymous":"AB4C8D12","energy_above_hull":4.735713939999999,"spacegroup":1},{"id":"jvasp-112114","created_at":"2022-09-04T14:38:44.900566Z","updated_at":"2022-09-04T14:38:44.900595Z","structure_string":"Cd1 H12 C8 O4\n1.0\n3.923157 -0.079124 -0.566920\n-1.117224 4.318933 -0.110185\n-0.102407 0.031104 11.937805\nCd H C O\n1 12 8 4\ndirect\n0.195883 0.654999 0.180508 Cd\n0.685705 0.803006 0.583438 H\n0.773121 0.026510 0.900337 H\n0.955094 0.420264 0.953679 H\n0.063915 0.944573 0.774283 H\n0.439330 0.943197 0.713101 H\n0.952514 0.366657 0.647929 H\n0.043221 0.806223 0.512746 H\n0.348644 0.503688 0.848258 H\n0.706150 0.506854 0.777569 H\n0.436754 0.889694 0.407342 H\n0.618742 0.283423 0.460708 H\n0.327944 0.365305 0.586753 H\n0.511604 0.173827 0.024979 C\n0.708088 0.239823 0.924953 C\n0.505686 0.354682 0.820742 C\n0.276327 0.094171 0.734880 C\n0.886171 0.955208 0.540274 C\n0.683768 0.070121 0.436074 C\n0.880216 0.136167 0.336040 C\n0.115520 0.215691 0.626147 C\n0.280611 0.913828 0.023328 O\n0.111199 0.396174 0.337694 O\n0.805436 0.925326 0.254109 O\n0.586342 0.384709 0.106892 O\n","nsites":25,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.3511203473869267,"density_atomic":0.12437896229120225,"volume":200.99862178837566,"volume_molar":4.841767971902405,"formula_full":"Cd1 H12 C8 O4","formula_reduced":"CdH12(C2O)4","formula_anonymous":"AB4C8D12","energy_above_hull":4.42235015,"spacegroup":2},{"id":"jvasp-112195","created_at":"2022-09-04T14:38:45.478782Z","updated_at":"2022-09-04T14:38:45.478794Z","structure_string":"Cd1 H12 C8 O4\n1.0\n4.141402 0.072298 0.071405\n1.244016 4.368674 0.652907\n-0.214693 -0.066444 11.704138\nCd H C O\n1 12 8 4\ndirect\n0.947062 0.784493 0.192305 Cd\n0.682183 0.280819 0.580867 H\n0.842958 0.700625 0.896711 H\n0.455712 0.728919 0.959616 H\n0.531462 0.844224 0.696644 H\n0.153505 0.868311 0.768189 H\n0.090282 0.427345 0.660979 H\n0.577292 0.651690 0.499755 H\n0.755766 0.283732 0.786120 H\n0.369879 0.313434 0.852832 H\n0.255126 0.137536 0.474475 H\n0.064709 0.528211 0.415265 H\n0.014492 0.794184 0.580078 H\n0.834466 0.320451 0.022955 C\n0.669692 0.566470 0.923688 C\n0.542696 0.446389 0.822039 C\n0.360746 0.708941 0.728248 C\n0.470610 0.470357 0.538779 C\n0.305786 0.354831 0.442501 C\n0.530723 0.312709 0.340123 C\n0.214094 0.600921 0.626740 C\n0.761648 0.067320 0.027235 O\n0.755164 0.057354 0.340181 O\n0.491868 0.548254 0.261233 O\n0.032793 0.360921 0.098848 O\n","nsites":25,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.2403752148940406,"density_atomic":0.11852032359005027,"volume":210.9342874094105,"volume_molar":5.0811038795590635,"formula_full":"Cd1 H12 C8 O4","formula_reduced":"CdH12(C2O)4","formula_anonymous":"AB4C8D12","energy_above_hull":4.42249815,"spacegroup":1},{"id":"jvasp-111833","created_at":"2022-09-04T14:38:41.542432Z","updated_at":"2022-09-04T14:38:41.542448Z","structure_string":"Ba2 Tm2 Zn8 O13\n1.0\n6.382963 -0.010882 0.036288\n3.177876 5.535652 0.036288\n0.014446 0.008348 10.192299\nBa Tm Zn O\n2 2 8 13\ndirect\n0.169074 0.169074 0.939137 Ba\n0.838833 0.838833 0.435586 Ba\n0.143562 0.143562 0.299338 Tm\n0.834326 0.834326 0.808577 Tm\n0.340895 0.340895 0.649367 Zn\n0.676611 0.676611 0.127681 Zn\n0.525159 0.525159 0.370387 Zn\n0.497306 0.497306 0.881700 Zn\n0.852043 0.327827 0.626931 Zn\n0.658897 0.158703 0.120010 Zn\n0.158703 0.658897 0.120010 Zn\n0.327828 0.852043 0.626931 Zn\n0.535002 0.001132 0.648700 O\n0.666284 0.666284 0.936029 O\n0.511667 0.511667 0.683133 O\n0.499799 0.499799 0.182873 O\n0.001132 0.535002 0.648700 O\n0.154216 0.621237 0.930137 O\n-0.001257 0.510148 0.220867 O\n0.278868 0.823436 0.435302 O\n0.823436 0.278868 0.435302 O\n0.621236 0.154216 0.930137 O\n0.011419 0.011419 0.155959 O\n0.510148 -0.001258 0.220867 O\n0.024718 0.024718 0.724944 O\n","nsites":25,"nelements":4,"elements":["Ba","Tm","Zn","O"],"chemical_system":"Ba-O-Tm-Zn","density":6.190075965698128,"density_atomic":0.06935161475526777,"volume":360.48187325156783,"volume_molar":8.683490328597683,"formula_full":"Ba2 Tm2 Zn8 O13","formula_reduced":"Ba2Tm2Zn8O13","formula_anonymous":"A2B2C8D13","energy_above_hull":0.9800159656,"spacegroup":8},{"id":"jvasp-22499","created_at":"2022-09-04T14:38:12.713994Z","updated_at":"2022-09-04T14:38:12.714017Z","structure_string":"Ca1 Ti8 S16\n1.0\n3.422212 -5.927445 -0.000000\n3.422212 5.927445 -0.000000\n0.000000 -0.000000 12.519527\nCa Ti S\n1 8 16\ndirect\n0.000000 0.000000 0.500000 Ca\n0.502168 0.004335 0.772145 Ti\n0.497832 0.995665 0.227855 Ti\n0.502167 0.497832 0.772145 Ti\n0.497832 0.502167 0.227855 Ti\n0.995665 0.497832 0.772145 Ti\n0.004335 0.502168 0.227855 Ti\n0.000000 0.000000 0.777541 Ti\n0.000000 0.000000 0.222460 Ti\n0.167315 0.334630 0.114364 S\n0.167261 0.334521 0.656437 S\n0.666667 0.333333 0.118003 S\n0.666667 0.333333 0.655358 S\n0.665369 0.832685 0.114364 S\n0.665478 0.832739 0.656437 S\n0.334630 0.167315 0.885636 S\n0.832685 0.665369 0.885636 S\n0.333333 0.666667 0.881998 S\n0.333333 0.666667 0.344642 S\n0.167261 0.832739 0.656437 S\n0.832739 0.665478 0.343563 S\n0.832685 0.167315 0.885636 S\n0.832739 0.167261 0.343563 S\n0.334521 0.167261 0.343563 S\n0.167315 0.832685 0.114364 S\n","nsites":25,"nelements":3,"elements":["Ca","Ti","S"],"chemical_system":"Ca-S-Ti","density":3.0602551779323144,"density_atomic":0.04922068451551943,"volume":507.91654455998923,"volume_molar":12.234979702692272,"formula_full":"Ca1 Ti8 S16","formula_reduced":"Ca(TiS2)8","formula_anonymous":"AB8C16","energy_above_hull":3.0309722834666664,"spacegroup":164}]}