{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=578","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=576","results":[{"id":"jvasp-116821","created_at":"2022-09-04T14:38:45.891398Z","updated_at":"2022-09-04T14:38:45.891414Z","structure_string":"Li6 Mn6 O6 F10\n1.0\n5.125403 0.001523 2.710348\n-1.927182 9.762333 -2.550601\n0.073931 -0.000626 6.059675\nLi Mn O F\n6 6 6 10\ndirect\n0.183644 0.568078 0.199397 Li\n0.676767 0.065978 0.713250 Li\n0.883531 0.613783 0.843712 Li\n0.379674 0.110865 0.351545 Li\n-0.001223 0.014926 0.018763 Li\n0.503686 0.517810 0.511802 Li\n0.937107 0.311824 0.438007 Mn\n0.921320 0.307421 0.944226 Mn\n0.422157 0.807593 0.443976 Mn\n0.437763 0.812324 0.937055 Mn\n0.441972 0.307481 0.944237 Mn\n0.942288 0.808081 0.442234 Mn\n0.078836 0.695984 0.532235 O\n0.577441 0.196684 0.041542 O\n0.310377 0.903881 0.279971 O\n0.567880 0.720978 0.590635 O\n0.071190 0.216804 0.075013 O\n0.804722 0.408499 0.798664 O\n0.315840 0.450591 0.307970 F\n0.301553 0.429493 0.826731 F\n0.799895 0.931269 0.335396 F\n0.557019 0.685543 0.041491 F\n0.052126 0.174305 0.562569 F\n0.088212 0.685737 0.038099 F\n0.560454 0.174183 0.561941 F\n0.826866 0.450109 0.306888 F\n0.320163 0.939891 0.829920 F\n0.788737 0.939869 0.832727 F\n","nsites":28,"nelements":4,"elements":["Li","Mn","O","F"],"chemical_system":"F-Li-Mn-O","density":3.6228028788598485,"density_atomic":0.09294369550413176,"volume":301.2576576402138,"volume_molar":6.479342926204489,"formula_full":"Li6 Mn6 O6 F10","formula_reduced":"Li3Mn3O3F5","formula_anonymous":"A3B3C3D5","energy_above_hull":1.7081681169027094,"spacegroup":8},{"id":"jvasp-112176","created_at":"2022-09-04T14:38:45.984841Z","updated_at":"2022-09-04T14:38:45.984873Z","structure_string":"Cd1 H8 C6 O4\n1.0\n3.717754 0.118743 0.379725\n1.427753 4.346905 0.533581\n0.311841 0.109895 10.403377\nCd H C O\n1 8 6 4\ndirect\n0.721121 0.228993 0.798208 Cd\n0.565970 0.502592 0.484490 H\n0.185948 0.370072 0.483139 H\n0.212072 0.013952 0.362132 H\n0.625730 0.564079 0.234516 H\n0.256275 0.087910 0.113276 H\n0.876294 0.955329 0.111939 H\n0.816600 0.893913 0.361888 H\n0.230292 0.443993 0.234287 H\n0.362938 0.739864 0.985493 C\n0.189771 0.873083 0.114024 C\n0.311276 0.651272 0.235674 C\n0.079323 0.718098 0.610927 C\n0.252496 0.584876 0.482395 C\n0.131050 0.806691 0.360741 C\n0.542656 0.449808 0.986550 O\n0.899607 0.008154 0.609874 O\n0.122118 0.530874 0.716142 O\n0.320136 0.927085 0.880277 O\n","nsites":19,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.5707033954312095,"density_atomic":0.11465885859440335,"volume":165.7089581469758,"volume_molar":5.2522245850212474,"formula_full":"Cd1 H8 C6 O4","formula_reduced":"CdH8(C3O2)2","formula_anonymous":"AB4C6D8","energy_above_hull":4.252859671052631,"spacegroup":2},{"id":"jvasp-117167","created_at":"2022-09-04T14:38:45.837139Z","updated_at":"2022-09-04T14:38:45.837167Z","structure_string":"Ti1 Ag2 I6 O18\n1.0\n7.269098 -0.034866 -0.766995\n-0.848538 7.219487 -0.766995\n-0.031158 -0.034866 7.309384\nTi Ag I O\n1 2 6 18\ndirect\n0.000000 0.000000 0.000000 Ti\n0.682623 0.682622 0.682621 Ag\n0.317377 0.317377 0.317377 Ag\n0.380696 0.162211 0.779669 I\n0.779670 0.380696 0.162211 I\n0.162212 0.779670 0.380696 I\n0.619303 0.837788 0.220329 I\n0.220330 0.619303 0.837787 I\n0.837788 0.220329 0.619303 I\n0.567431 0.211538 0.129381 O\n0.810240 0.446469 0.416985 O\n0.583014 0.189759 0.553529 O\n0.553530 0.583014 0.189759 O\n0.189759 0.553530 0.583013 O\n0.129382 0.567431 0.211538 O\n0.211538 0.129382 0.567430 O\n0.870618 0.432568 0.788461 O\n0.187533 0.188548 0.935750 O\n0.432569 0.788462 0.870617 O\n0.188549 0.935751 0.187533 O\n0.446470 0.416986 0.810239 O\n0.935751 0.187533 0.188548 O\n0.811451 0.064248 0.812465 O\n0.812466 0.811451 0.064248 O\n0.064248 0.812466 0.811450 O\n0.788462 0.870618 0.432568 O\n0.416986 0.810240 0.446469 O\n","nsites":27,"nelements":4,"elements":["Ti","Ag","I","O"],"chemical_system":"Ag-I-O-Ti","density":5.6929850170521545,"density_atomic":0.07049909760556974,"volume":382.98362556440554,"volume_molar":8.542152970088832,"formula_full":"Ti1 Ag2 I6 O18","formula_reduced":"TiAg2(IO3)6","formula_anonymous":"AB2C6D18","energy_above_hull":2.098728648271605,"spacegroup":148},{"id":"jvasp-113015","created_at":"2022-09-04T14:38:45.845891Z","updated_at":"2022-09-04T14:38:45.845919Z","structure_string":"La6 Ta2 Cl12 O8\n1.0\n12.878475 -0.000000 0.000000\n-6.439238 11.153086 0.000000\n-0.000000 -0.000000 4.010105\nLa Ta Cl O\n6 2 12 8\ndirect\n0.281442 0.396008 0.250000 La\n0.718557 0.603992 0.749999 La\n0.603992 0.885434 0.250000 La\n0.396008 0.114566 0.749999 La\n0.114566 0.718558 0.250000 La\n0.885434 0.281442 0.749999 La\n0.666666 0.333333 0.250000 Ta\n0.333333 0.666667 0.749999 Ta\n0.101572 0.245713 0.749999 Cl\n0.898427 0.754287 0.250000 Cl\n0.144141 0.898428 0.749999 Cl\n0.855859 0.101572 0.250000 Cl\n0.754287 0.855860 0.749999 Cl\n0.245713 0.144141 0.250000 Cl\n0.626529 0.072294 0.749999 Cl\n0.373470 0.927706 0.250000 Cl\n0.445764 0.373471 0.749999 Cl\n0.554235 0.626530 0.250000 Cl\n0.927706 0.554236 0.749999 Cl\n0.072294 0.445765 0.250000 Cl\n0.507682 0.200484 0.250000 O\n0.492317 0.799516 0.749999 O\n0.799516 0.307199 0.250000 O\n0.200484 0.692801 0.749999 O\n0.692801 0.492318 0.250000 O\n0.307199 0.507683 0.749999 O\n0.333333 0.666667 0.250000 O\n0.666666 0.333333 0.749999 O\n","nsites":28,"nelements":4,"elements":["La","Ta","Cl","O"],"chemical_system":"Cl-La-O-Ta","density":5.041549310017868,"density_atomic":0.048611922496823196,"volume":575.9903859352571,"volume_molar":12.388197073245866,"formula_full":"La6 Ta2 Cl12 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O\n","nsites":18,"nelements":4,"elements":["Li","V","Fe","O"],"chemical_system":"Fe-Li-O-V","density":4.527679813959339,"density_atomic":0.10900837406584016,"volume":165.12492874288859,"volume_molar":5.524475354859138,"formula_full":"Li3 V2 Fe3 O10","formula_reduced":"Li3V2Fe3O10","formula_anonymous":"A2B3C3D10","energy_above_hull":3.044643883333333,"spacegroup":2},{"id":"jvasp-113024","created_at":"2022-09-04T14:38:45.868249Z","updated_at":"2022-09-04T14:38:45.868270Z","structure_string":"Er4 Mg2 Ti2 O12\n1.0\n5.589257 0.000000 0.000000\n-0.000000 4.347622 2.964429\n-0.000000 0.012153 9.233454\nEr Mg Ti O\n4 2 2 12\ndirect\n0.069158 0.728640 0.752050 Er\n0.930843 0.271359 0.247950 Er\n0.569158 0.271358 0.747950 Er\n0.430842 0.728641 0.252050 Er\n0.500000 0.500000 0.000000 Mg\n0.000000 0.499999 0.500000 Mg\n0.500000 -0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.687579 0.360158 0.442467 O\n0.312421 0.639841 0.557533 O\n0.701961 0.752413 0.064066 O\n0.298040 0.247586 0.935934 O\n0.201961 0.247586 0.435934 O\n0.545161 0.125166 0.256139 O\n0.045161 0.874833 0.243862 O\n0.954840 0.125166 0.756138 O\n0.812422 0.360157 0.942467 O\n0.454840 0.874833 0.743861 O\n0.798040 0.752413 0.564066 O\n0.187579 0.639842 0.057533 O\n","nsites":20,"nelements":4,"elements":["Er","Mg","Ti","O"],"chemical_system":"Er-Mg-O-Ti","density":7.447253082403859,"density_atomic":0.08921746510961619,"volume":224.17135451480482,"volume_molar":6.74995725624008,"formula_full":"Er4 Mg2 Ti2 O12","formula_reduced":"Er2MgTiO6","formula_anonymous":"ABC2D6","energy_above_hull":2.0571918383333334,"spacegroup":14},{"id":"jvasp-113134","created_at":"2022-09-04T14:38:45.894554Z","updated_at":"2022-09-04T14:38:45.894576Z","structure_string":"Mg2 In3 Mo1 S8\n1.0\n6.585139 0.000219 3.802153\n2.194779 6.231991 3.801884\n-0.000080 0.000115 7.604017\nMg In Mo S\n2 3 1 8\ndirect\n0.874551 0.876357 0.874546 Mg\n0.125454 0.123644 0.125450 Mg\n0.500000 0.500006 0.499992 In\n0.499999 0.499994 0.000002 In\n-0.000001 0.499999 0.500004 In\n0.500001 -0.000000 0.500002 Mo\n0.734041 0.757831 0.734044 S\n0.265952 0.242177 0.725914 S\n0.256405 0.730794 0.256401 S\n0.725917 0.242177 0.265949 S\n0.743592 0.269208 0.743593 S\n0.274086 0.757822 0.734050 S\n0.265956 0.242164 0.265965 S\n0.734052 0.757828 0.274083 S\n","nsites":14,"nelements":4,"elements":["Mg","In","Mo","S"],"chemical_system":"In-Mg-Mo-S","density":3.9671717539464675,"density_atomic":0.0448640331115632,"volume":312.05397796462614,"volume_molar":13.423092714435123,"formula_full":"Mg2 In3 Mo1 S8","formula_reduced":"Mg2In3MoS8","formula_anonymous":"AB2C3D8","energy_above_hull":1.523219565,"spacegroup":166},{"id":"jvasp-112185","created_at":"2022-09-04T14:38:45.896689Z","updated_at":"2022-09-04T14:38:45.896707Z","structure_string":"Cd1 H18 C11 O4\n1.0\n3.858700 -0.028515 0.387548\n1.640046 4.159224 0.499010\n0.177804 -0.021064 16.977612\nCd H C O\n1 18 11 4\ndirect\n0.117390 -0.019451 0.847087 Cd\n0.694000 0.683653 0.501603 H\n0.677231 0.178666 0.580595 H\n0.350768 0.419378 0.128432 H\n0.813674 0.253939 0.272172 H\n0.326674 0.384420 0.274496 H\n0.760761 0.212801 0.425714 H\n0.275144 0.344789 0.423798 H\n0.209205 0.822677 0.497326 H\n0.838559 0.297600 0.119484 H\n0.823569 0.160673 0.005814 H\n0.396643 0.980175 0.047915 H\n0.799780 0.765565 0.191856 H\n0.311468 0.901229 0.196674 H\n0.761645 0.722988 0.347153 H\n0.274708 0.860469 0.347302 H\n0.585799 0.659684 0.656413 H\n0.110279 0.799742 0.644627 H\n0.194783 0.309008 0.573249 H\n0.693648 0.624570 0.972230 C\n0.560373 0.725601 0.045421 C\n0.581120 0.512144 0.121094 C\n0.563765 0.682507 0.195571 C\n0.559366 0.471090 0.272581 C\n0.423984 0.395048 0.576058 C\n0.507226 0.430494 0.424349 C\n0.459429 0.602205 0.499827 C\n0.356908 0.578600 0.650104 C\n0.288060 0.396859 0.727147 C\n0.526121 0.640823 0.347752 C\n0.886882 0.297511 0.961713 O\n0.352850 0.460593 0.794359 O\n0.158174 0.176610 0.722521 O\n0.668644 0.804019 0.904315 O\n","nsites":34,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":1.9869193916293093,"density_atomic":0.1245379900855703,"volume":273.0090631512403,"volume_molar":4.83558531486029,"formula_full":"Cd1 H18 C11 O4","formula_reduced":"CdH18C11O4","formula_anonymous":"AB4C11D18","energy_above_hull":4.564842169117648,"spacegroup":1},{"id":"jvasp-116824","created_at":"2022-09-04T14:38:45.914656Z","updated_at":"2022-09-04T14:38:45.914685Z","structure_string":"Li4 Mn4 P4 O16\n1.0\n5.172449 -0.000290 -0.002530\n-0.000380 8.960217 0.006643\n-0.002614 0.000660 9.565736\nLi Mn P O\n4 4 4 16\ndirect\n0.499898 0.499943 0.239346 Li\n0.999883 -0.000057 0.239410 Li\n-0.000112 0.999895 0.739397 Li\n0.499878 0.499897 0.739346 Li\n0.499817 0.833366 0.122621 Mn\n0.499873 0.166679 0.622620 Mn\n0.999869 0.333363 0.122628 Mn\n-0.000170 0.666679 0.622626 Mn\n0.000050 0.666647 0.259223 P\n0.500117 0.166650 0.259219 P\n0.500018 0.833338 0.759222 P\n0.000083 0.333340 0.759227 P\n0.148674 0.527781 0.203165 O\n0.648676 0.027776 0.203127 O\n0.782614 0.838242 0.702999 O\n0.282603 0.338254 0.702898 O\n0.717007 0.661746 0.203454 O\n0.217003 0.161754 0.203557 O\n0.350962 0.972185 0.703097 O\n0.500785 0.833601 0.918475 O\n0.365760 0.689415 0.703611 O\n0.865753 0.189413 0.703679 O\n0.000784 0.666558 0.418478 O\n0.501105 0.166578 0.418473 O\n0.633802 0.310555 0.203020 O\n0.001107 0.333606 0.918480 O\n0.850964 0.472182 0.703148 O\n0.133806 0.810560 0.203093 O\n","nsites":28,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.3499665711347446,"density_atomic":0.06315750672098026,"volume":443.33605700585224,"volume_molar":9.535114783116525,"formula_full":"Li4 Mn4 P4 O16","formula_reduced":"LiMnPO4","formula_anonymous":"ABCD4","energy_above_hull":2.553582391625616,"spacegroup":173},{"id":"jvasp-120564","created_at":"2022-09-04T14:38:45.916433Z","updated_at":"2022-09-04T14:38:45.916461Z","structure_string":"Ti2 Al2 W4 O16\n1.0\n5.563548 -0.000000 0.000000\n-0.000000 4.383942 2.254647\n0.000000 -0.216014 10.236605\nTi Al W O\n2 2 4 16\ndirect\n0.374152 0.500000 0.750000 Ti\n0.625848 0.500000 0.250000 Ti\n0.648208 0.000001 0.750000 Al\n0.351792 0.000000 0.250000 Al\n0.134127 0.222537 0.505699 W\n0.134127 0.777463 0.994301 W\n0.865873 0.777463 0.494301 W\n0.865873 0.222537 0.005699 W\n0.123182 0.295845 0.115919 O\n0.876818 0.704156 0.884082 O\n0.354735 0.212278 0.362655 O\n0.354735 0.787722 0.137346 O\n0.645266 0.787723 0.637346 O\n0.645266 0.212278 0.862655 O\n0.141734 0.220543 0.871444 O\n0.609982 0.731260 0.365267 O\n0.858266 0.779458 0.128557 O\n0.858266 0.220542 0.371444 O\n0.876818 0.295845 0.615919 O\n0.609982 0.268740 0.134734 O\n0.390019 0.268741 0.634734 O\n0.390019 0.731260 0.865267 O\n0.141734 0.779458 0.628557 O\n0.123182 0.704155 0.384082 O\n","nsites":24,"nelements":4,"elements":["Ti","Al","W","O"],"chemical_system":"Al-O-Ti-W","density":7.507447987922405,"density_atomic":0.09509348443564608,"volume":252.38322207282087,"volume_molar":6.332863703270276,"formula_full":"Ti2 Al2 W4 O16","formula_reduced":"TiAl(WO4)2","formula_anonymous":"ABC2D8","energy_above_hull":3.912155761111111,"spacegroup":13},{"id":"jvasp-106854","created_at":"2022-09-04T14:38:45.921826Z","updated_at":"2022-09-04T14:38:45.921860Z","structure_string":"Ag2 Sn1 Bi1 Se4\n1.0\n4.055200 -0.018899 13.035170\n1.965033 3.547344 13.035170\n-0.032246 -0.018899 13.651347\nAg Sn Bi Se\n2 1 1 4\ndirect\n0.506741 0.506741 0.506743 Ag\n0.242056 0.242056 0.242057 Ag\n0.757400 0.757399 0.757403 Sn\n0.995360 0.995359 0.995364 Bi\n0.874746 0.874746 0.874750 Se\n0.618888 0.618887 0.618890 Se\n0.374280 0.374280 0.374282 Se\n0.130525 0.130525 0.130525 Se\n","nsites":8,"nelements":4,"elements":["Ag","Sn","Bi","Se"],"chemical_system":"Ag-Bi-Se-Sn","density":7.173754004865577,"density_atomic":0.0402215995402999,"volume":198.89810677430734,"volume_molar":14.972404948654853,"formula_full":"Ag2 Sn1 Bi1 Se4","formula_reduced":"Ag2SnBiSe4","formula_anonymous":"ABC2D4","energy_above_hull":0.8907467483333333,"spacegroup":160},{"id":"jvasp-113252","created_at":"2022-09-04T14:38:45.925545Z","updated_at":"2022-09-04T14:38:45.925562Z","structure_string":"Li4 Mn4 O4 F8\n1.0\n6.444460 -0.008578 -0.716771\n-0.462356 6.427785 0.716701\n0.002881 -0.002731 5.251189\nLi Mn O F\n4 4 4 8\ndirect\n0.218355 0.609334 0.666020 Li\n0.390667 0.781643 0.166020 Li\n0.609332 0.218358 0.833980 Li\n0.781641 0.390665 0.333979 Li\n0.089283 0.089283 0.749995 Mn\n0.259335 0.259331 0.250002 Mn\n0.740667 0.740670 0.750003 Mn\n0.910714 0.910717 0.250001 Mn\n0.001335 0.193183 0.401198 O\n0.806811 -0.001337 0.901211 O\n0.193178 0.001332 0.098796 O\n-0.001334 0.806825 0.598807 O\n0.127365 0.376463 0.867396 F\n0.290962 0.536293 0.355854 F\n0.376475 0.127366 0.632590 F\n0.463706 0.709034 0.855856 F\n0.536289 0.290962 0.144145 F\n0.623533 0.872632 0.367406 F\n0.709040 0.463708 0.644145 F\n0.872635 0.623530 0.132599 F\n","nsites":20,"nelements":4,"elements":["Li","Mn","O","F"],"chemical_system":"F-Li-Mn-O","density":3.5382294504366825,"density_atomic":0.09194247926814265,"volume":217.52730793425366,"volume_molar":6.549900337619701,"formula_full":"Li4 Mn4 O4 F8","formula_reduced":"LiMnOF2","formula_anonymous":"ABCD2","energy_above_hull":0.997690261275862,"spacegroup":15}]}