{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=513","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=511","results":[{"id":"jvasp-34675","created_at":"2022-09-04T14:38:05.737542Z","updated_at":"2022-09-04T14:38:05.737568Z","structure_string":"K6 Re2 Cl2 F12\n1.0\n8.173698 0.000000 0.000000\n-0.000000 8.173698 -0.000000\n-0.000000 0.000000 6.010743\nK Re Cl F\n6 2 2 12\ndirect\n0.678751 0.178751 0.500000 K\n0.821249 0.678751 0.500000 K\n0.500000 0.500000 0.000000 K\n0.178751 0.321249 0.500000 K\n0.321249 0.821249 0.500000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.000000 Re\n0.000000 0.500000 0.000000 Re\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.500000 Cl\n0.384458 0.115543 0.245333 F\n0.615543 0.884458 0.245333 F\n0.671845 0.171844 0.000000 F\n0.115543 0.615543 0.245333 F\n0.828156 0.671845 0.000000 F\n0.884458 0.384458 0.245333 F\n0.884458 0.384458 0.754666 F\n0.171844 0.328156 0.000000 F\n0.615543 0.884458 0.754666 F\n0.115543 0.615543 0.754666 F\n0.384458 0.115543 0.754666 F\n0.328156 0.828156 0.000000 F\n","nsites":22,"nelements":4,"elements":["K","Re","Cl","F"],"chemical_system":"Cl-F-K-Re","density":3.74592894225087,"density_atomic":0.05478445512212113,"volume":401.5737667000495,"volume_molar":10.99242612995954,"formula_full":"K6 Re2 Cl2 F12","formula_reduced":"K3ReClF6","formula_anonymous":"ABC3D6","energy_above_hull":0.1427070693181819,"spacegroup":127},{"id":"jvasp-55304","created_at":"2022-09-04T14:38:10.781646Z","updated_at":"2022-09-04T14:38:10.781670Z","structure_string":"Yb4 V4 O14\n1.0\n6.094993 -0.000000 3.518946\n2.031665 5.746414 3.518946\n-0.000000 -0.000000 7.037891\nYb V O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.000000 0.000001 Yb\n-0.000000 0.499999 0.000002 Yb\n0.000000 0.000000 0.500001 Yb\n0.500001 0.499999 0.500001 V\n0.500001 0.499999 0.000002 V\n-0.000000 0.499999 0.500000 V\n0.500000 0.000000 0.500000 V\n0.566100 0.183901 0.566100 O\n0.183901 0.566099 0.183900 O\n0.183899 0.183901 0.566100 O\n0.874999 0.874999 0.875003 O\n0.433900 0.433899 0.816101 O\n0.816100 0.433899 0.433901 O\n0.433900 0.816100 0.433901 O\n0.816100 0.433899 0.816101 O\n0.433900 0.816100 0.816101 O\n0.566100 0.566099 0.183901 O\n0.816099 0.816100 0.433901 O\n0.124999 0.125000 0.125001 O\n0.566100 0.183901 0.183900 O\n0.183901 0.566099 0.566101 O\n","nsites":22,"nelements":3,"elements":["Yb","V","O"],"chemical_system":"O-V-Yb","density":7.54436181463113,"density_atomic":0.08925036929244845,"volume":246.49757949921937,"volume_molar":6.747468730652679,"formula_full":"Yb4 V4 O14","formula_reduced":"Yb2V2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.3723813,"spacegroup":227},{"id":"jvasp-44773","created_at":"2022-09-04T14:38:11.830620Z","updated_at":"2022-09-04T14:38:11.830653Z","structure_string":"Li6 Fe4 O2 F10\n1.0\n5.088848 0.041801 -0.015513\n-1.633570 4.819771 -0.013455\n-1.701794 -2.396033 8.880943\nLi Fe O F\n6 4 2 10\ndirect\n0.791564 0.541550 0.083336 Li\n0.876908 0.126993 0.253693 Li\n0.541750 0.791497 0.583334 Li\n0.468273 0.218339 0.436935 Li\n0.114998 0.864945 0.729722 Li\n0.206587 0.456493 0.912970 Li\n0.291571 0.041522 0.083330 Fe\n0.041576 0.291715 0.583331 Fe\n0.364718 0.614853 0.229430 Fe\n0.718773 0.968606 0.937240 Fe\n0.544534 0.788895 0.083297 O\n0.038965 0.294527 0.083368 O\n0.118492 0.887752 0.254083 F\n0.800696 0.532595 0.583311 F\n0.635498 0.366361 0.253918 F\n0.676794 0.965778 0.418766 F\n0.367566 0.656444 0.747882 F\n0.241845 0.453020 0.418758 F\n0.282496 0.050849 0.583356 F\n0.445726 0.214812 0.912703 F\n0.880356 0.091417 0.747924 F\n0.966992 0.697698 0.912640 F\n","nsites":22,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":3.708276487197029,"density_atomic":0.10088087802759951,"volume":218.07899009345584,"volume_molar":5.969556250642895,"formula_full":"Li6 Fe4 O2 F10","formula_reduced":"Li3Fe2OF5","formula_anonymous":"AB2C3D5","energy_above_hull":0.9534569011363634,"spacegroup":22},{"id":"jvasp-44724","created_at":"2022-09-04T14:38:11.892423Z","updated_at":"2022-09-04T14:38:11.892449Z","structure_string":"Li4 Si4 Ni2 O12\n1.0\n2.890643 4.821822 0.097187\n-2.890643 4.821822 -0.097187\n-0.275950 0.000000 9.093854\nLi Si Ni O\n4 4 2 12\ndirect\n0.613307 0.716759 0.882677 Li\n0.283241 0.386693 0.382678 Li\n0.716759 0.613307 0.617322 Li\n0.386693 0.283241 0.117322 Li\n0.135849 0.793202 0.636557 Si\n0.206798 0.864150 0.136557 Si\n0.793202 0.135849 0.863443 Si\n0.864150 0.206798 0.363443 Si\n0.244229 0.244229 0.750000 Ni\n0.755770 0.755770 0.250000 Ni\n0.756332 0.519711 0.410665 O\n0.480288 0.243668 0.910664 O\n0.000000 0.000000 0.000000 O\n0.126397 0.126397 0.250000 O\n0.000000 -0.000000 0.500000 O\n0.364756 0.853962 0.713505 O\n0.519711 0.756332 0.089335 O\n0.243668 0.480288 0.589335 O\n0.146038 0.635244 0.213505 O\n0.853962 0.364756 0.786495 O\n0.873602 0.873602 0.750000 O\n0.635244 0.146038 0.286495 O\n","nsites":22,"nelements":4,"elements":["Li","Si","Ni","O"],"chemical_system":"Li-Ni-O-Si","density":2.941293898539939,"density_atomic":0.08669543348051038,"volume":253.76192397660392,"volume_molar":6.946318298706944,"formula_full":"Li4 Si4 Ni2 O12","formula_reduced":"Li2Si2NiO6","formula_anonymous":"AB2C2D6","energy_above_hull":2.338116418181818,"spacegroup":15},{"id":"jvasp-59191","created_at":"2022-09-04T14:38:12.072184Z","updated_at":"2022-09-04T14:38:12.072209Z","structure_string":"Li2 Fe2 P4 O14\n1.0\n5.233924 -0.127711 -0.931598\n1.260227 5.081545 0.931598\n-0.213377 0.279723 9.272495\nLi Fe P O\n2 2 4 14\ndirect\n0.282196 0.345402 0.518948 Li\n0.654597 0.717805 0.018948 Li\n0.722781 0.637022 0.481376 Fe\n0.362978 0.277220 0.981376 Fe\n0.806904 0.205260 0.292192 P\n0.189481 0.790932 0.704358 P\n0.794739 0.193095 0.792191 P\n0.209068 0.810519 0.204357 P\n0.075429 0.606438 0.612837 O\n0.928295 0.936806 0.748736 O\n0.998568 0.302596 0.885881 O\n0.606235 0.095841 0.885586 O\n0.063192 0.071704 0.248736 O\n0.904158 0.393764 0.385587 O\n0.393561 0.924569 0.112838 O\n0.607826 0.362507 0.143881 O\n0.014638 0.692089 0.116991 O\n0.637495 0.392174 0.643880 O\n0.370472 0.627924 0.859214 O\n0.307910 0.985361 0.616991 O\n0.697401 0.001432 0.385882 O\n0.372073 0.629526 0.359214 O\n","nsites":22,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":3.2033369562476026,"density_atomic":0.08963841194760272,"volume":245.43049706034384,"volume_molar":6.718259091337076,"formula_full":"Li2 Fe2 P4 O14","formula_reduced":"LiFeP2O7","formula_anonymous":"ABC2D7","energy_above_hull":2.772115545454545,"spacegroup":9},{"id":"jvasp-52472","created_at":"2022-09-04T14:38:15.378361Z","updated_at":"2022-09-04T14:38:15.378386Z","structure_string":"Tm4 Pb4 O14\n1.0\n-5.323743 5.323743 -0.000000\n5.323743 0.000000 5.323743\n5.323743 5.323743 -0.000000\nTm Pb O\n4 4 14\ndirect\n0.500000 0.000000 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 Tm\n0.000000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.352945 0.250000 0.897054 O\n0.102945 0.205891 0.647054 O\n0.102945 0.750000 0.102945 O\n0.647054 0.750000 0.647054 O\n0.375000 0.750000 0.375000 O\n0.625000 0.250000 0.625000 O\n0.647054 0.750000 0.102945 O\n0.897054 0.794108 0.352945 O\n0.352945 0.250000 0.352945 O\n0.352945 0.705891 0.897054 O\n0.647054 0.294108 0.102945 O\n0.897054 0.250000 0.352945 O\n0.897054 0.250000 0.897054 O\n0.102945 0.750000 0.647054 O\n","nsites":22,"nelements":3,"elements":["Tm","Pb","O"],"chemical_system":"O-Pb-Tm","density":9.51139866316684,"density_atomic":0.0729023350674485,"volume":301.77359860484336,"volume_molar":8.260559492955029,"formula_full":"Tm4 Pb4 O14","formula_reduced":"Tm2Pb2O7","formula_anonymous":"A2B2C7","energy_above_hull":1.9989286036363636,"spacegroup":227},{"id":"jvasp-44555","created_at":"2022-09-04T14:38:15.447269Z","updated_at":"2022-09-04T14:38:15.447293Z","structure_string":"K2 Si2 P2 C2 O14\n1.0\n0.000000 4.877628 -0.405292\n5.963782 0.000000 0.000000\n0.000000 0.677289 -9.251108\nK Si P C O\n2 2 2 2 14\ndirect\n0.899059 0.702735 0.158422 K\n0.100941 0.202736 0.841578 K\n0.273745 0.228963 0.343150 Si\n0.726256 0.728963 0.656850 Si\n0.295107 0.729769 0.440719 P\n0.704893 0.229769 0.559281 P\n0.464488 0.230445 0.103134 C\n0.535513 0.730445 0.896866 C\n0.400892 0.730320 0.782401 O\n0.729609 0.430643 0.659635 O\n0.728900 0.028231 0.659279 O\n0.070026 0.730091 0.574356 O\n0.417609 0.229253 0.508436 O\n0.582392 0.729253 0.491564 O\n0.599108 0.230320 0.217599 O\n0.271100 0.528231 0.340721 O\n0.270391 0.930643 0.340365 O\n0.806505 0.730459 0.844346 O\n0.193496 0.230459 0.155654 O\n0.431263 0.731238 0.026701 O\n0.929975 0.230091 0.425644 O\n0.568737 0.231238 -0.026701 O\n","nsites":22,"nelements":5,"elements":["K","Si","P","C","O"],"chemical_system":"C-K-O-P-Si","density":2.758536464020792,"density_atomic":0.0822523868510894,"volume":267.4694418270078,"volume_molar":7.321539216731239,"formula_full":"K2 Si2 P2 C2 O14","formula_reduced":"KSiPCO7","formula_anonymous":"ABCDE7","energy_above_hull":2.889964236363636,"spacegroup":4},{"id":"jvasp-44434","created_at":"2022-09-04T14:38:05.645123Z","updated_at":"2022-09-04T14:38:05.645145Z","structure_string":"Na2 V2 Si2 C2 O14\n1.0\n0.000000 5.385802 -0.202287\n6.401461 0.000000 0.000000\n0.000000 -0.174690 -8.485385\nNa V Si C O\n2 2 2 2 14\ndirect\n0.851357 0.518100 0.164283 Na\n0.148642 0.018100 0.835718 Na\n0.228023 0.234099 0.337711 V\n0.771976 0.734099 0.662289 V\n0.276453 0.738682 0.433795 Si\n0.723547 0.238682 0.566206 Si\n0.380975 0.258216 0.063095 C\n0.619024 0.758216 0.936906 C\n0.475651 0.769874 0.813742 O\n0.768518 0.454548 0.666737 O\n0.786409 0.038039 0.672142 O\n0.086450 0.749323 0.588179 O\n0.435662 0.244302 0.501805 O\n0.564338 0.744302 0.498196 O\n0.524348 0.269874 0.186259 O\n0.213590 0.538039 0.327859 O\n0.231482 0.954548 0.333264 O\n0.857366 0.739076 0.888298 O\n0.142634 0.239076 0.111703 O\n0.554117 0.757889 0.076907 O\n0.913550 0.249323 0.411822 O\n0.445882 0.257889 0.923094 O\n","nsites":22,"nelements":5,"elements":["Na","V","Si","C","O"],"chemical_system":"C-Na-O-Si-V","density":2.563867176734446,"density_atomic":0.07514255497247885,"volume":292.77684273654995,"volume_molar":8.014287991944943,"formula_full":"Na2 V2 Si2 C2 O14","formula_reduced":"NaVSiCO7","formula_anonymous":"ABCDE7","energy_above_hull":3.069495118181817,"spacegroup":4},{"id":"jvasp-21257","created_at":"2022-09-04T14:38:05.688791Z","updated_at":"2022-09-04T14:38:05.688810Z","structure_string":"Tb4 Sn4 O14\n1.0\n6.427666 0.000000 3.711014\n2.142555 6.060061 3.711014\n0.000000 0.000000 7.422029\nTb Sn O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Tb\n-0.000000 0.500000 0.500000 Tb\n0.500000 -0.000000 0.500000 Tb\n0.500000 0.500000 -0.000001 Tb\n0.000000 0.000000 0.000000 Sn\n-0.000000 -0.000000 0.500000 Sn\n0.500000 -0.000000 -0.000000 Sn\n-0.000000 0.500000 -0.000000 Sn\n0.088821 0.661179 0.088821 O\n0.661179 0.088821 0.661178 O\n0.661179 0.088821 0.088821 O\n0.625000 0.625000 0.624999 O\n0.911179 0.338821 0.338820 O\n0.338821 0.911179 0.338821 O\n0.338821 0.338821 0.911178 O\n0.911179 0.911179 0.338820 O\n0.911179 0.338821 0.911178 O\n0.088821 0.661179 0.661179 O\n0.338821 0.911179 0.911178 O\n0.375000 0.375000 0.375000 O\n0.661179 0.661179 0.088821 O\n0.088821 0.088821 0.661179 O\n","nsites":22,"nelements":3,"elements":["Tb","Sn","O"],"chemical_system":"O-Sn-Tb","density":7.665234942166438,"density_atomic":0.0760973856409155,"volume":289.1032302188736,"volume_molar":7.913728847948829,"formula_full":"Tb4 Sn4 O14","formula_reduced":"Tb2Sn2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.0088349727272727,"spacegroup":227},{"id":"jvasp-52430","created_at":"2022-09-04T14:38:15.155317Z","updated_at":"2022-09-04T14:38:15.155341Z","structure_string":"K4 Na2 Fe1 H3 F12\n1.0\n0.000000 5.751218 -0.007468\n5.915750 0.000000 0.000000\n0.000000 -0.572973 -8.351328\nK Na Fe H F\n4 2 1 3 12\ndirect\n0.946319 0.499294 0.244050 K\n0.515821 0.985164 0.731543 K\n0.053682 0.499294 0.755951 K\n0.484180 0.985164 0.268458 K\n0.000000 0.008296 0.000000 Na\n0.500000 0.486966 0.500000 Na\n0.000000 0.990162 0.500000 Fe\n0.631384 0.389656 0.874116 H\n0.368617 0.389656 0.125884 H\n0.500000 0.754547 0.000000 H\n0.700409 0.771739 0.011750 F\n0.299592 0.771739 0.988251 F\n0.469509 0.475799 0.236713 F\n0.530492 0.475799 0.763287 F\n0.744265 0.289340 0.963901 F\n0.230877 0.763085 0.504300 F\n0.230059 0.215211 0.504906 F\n0.011425 0.990726 0.725558 F\n0.988576 0.990726 0.274442 F\n0.769124 0.763085 0.495701 F\n0.255736 0.289340 0.036100 F\n0.769942 0.215211 0.495094 F\n","nsites":22,"nelements":5,"elements":["K","Na","Fe","H","F"],"chemical_system":"F-Fe-H-K-Na","density":2.8588512321528827,"density_atomic":0.07742100569941612,"volume":284.16060733457914,"volume_molar":7.778432617345109,"formula_full":"K4 Na2 Fe1 H3 F12","formula_reduced":"K4Na2FeH3F12","formula_anonymous":"AB2C3D4E12","energy_above_hull":0.1322440404545458,"spacegroup":3},{"id":"jvasp-27488","created_at":"2022-09-04T14:38:11.431136Z","updated_at":"2022-09-04T14:38:11.431164Z","structure_string":"Sr6 Zn2 Pt2 O12\n1.0\n6.732853 0.026546 -0.189587\n-0.195747 6.730060 -0.189587\n0.025685 0.026546 6.735473\nSr Zn Pt O\n6 2 2 12\ndirect\n0.885634 0.250001 0.614365 Sr\n0.385634 0.114366 0.749999 Sr\n0.749999 0.385635 0.114365 Sr\n0.114365 0.750000 0.385634 Sr\n0.614365 0.885635 0.249999 Sr\n0.249999 0.614366 0.885634 Sr\n0.749999 0.750001 0.749999 Zn\n0.250000 0.250000 0.250000 Zn\n0.499999 0.500001 0.499999 Pt\n0.000000 0.000000 0.000000 Pt\n0.960074 0.093038 0.287388 O\n0.593036 0.460076 0.787388 O\n0.212611 0.406963 0.539924 O\n0.539924 0.212612 0.406962 O\n0.406962 0.539925 0.212611 O\n0.906962 0.712612 0.039924 O\n0.039924 0.906963 0.712610 O\n0.712610 0.039926 0.906962 O\n0.787388 0.593038 0.460074 O\n0.460074 0.787389 0.593036 O\n0.287388 0.960075 0.093037 O\n0.093036 0.287389 0.960074 O\n","nsites":22,"nelements":4,"elements":["Sr","Zn","Pt","O"],"chemical_system":"O-Pt-Sr-Zn","density":6.737252084085985,"density_atomic":0.07205940369037127,"volume":305.3036643840516,"volume_molar":8.357189279384352,"formula_full":"Sr6 Zn2 Pt2 O12","formula_reduced":"Sr3ZnPtO6","formula_anonymous":"ABC3D6","energy_above_hull":1.3149383390909088,"spacegroup":167},{"id":"jvasp-27536","created_at":"2022-09-04T14:38:04.229362Z","updated_at":"2022-09-04T14:38:04.229389Z","structure_string":"Ca8 Pt2 O12\n1.0\n6.582683 -0.003353 -0.066950\n-0.067600 6.582336 -0.066950\n-0.003320 -0.003353 6.583022\nCa Pt O\n8 2 12\ndirect\n0.750000 0.750001 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.613625 0.886376 0.250000 Ca\n0.250000 0.613626 0.886374 Ca\n0.886374 0.250001 0.613625 Ca\n0.386375 0.113626 0.750000 Ca\n0.750000 0.386375 0.113625 Ca\n0.113625 0.750001 0.386375 Ca\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500001 0.500000 Pt\n0.928618 0.701351 0.054052 O\n0.201350 0.428618 0.554052 O\n0.445947 0.798651 0.571382 O\n0.571382 0.445948 0.798650 O\n0.798650 0.571383 0.445947 O\n0.298650 0.945948 0.071382 O\n0.071382 0.298651 0.945947 O\n0.945947 0.071383 0.298650 O\n0.554052 0.201351 0.428618 O\n0.428618 0.554053 0.201350 O\n0.054052 0.928619 0.701350 O\n0.701350 0.054053 0.928618 O\n","nsites":22,"nelements":3,"elements":["Ca","Pt","O"],"chemical_system":"Ca-O-Pt","density":5.255715089080498,"density_atomic":0.07712961423147606,"volume":285.23415058157974,"volume_molar":7.807819110733224,"formula_full":"Ca8 Pt2 O12","formula_reduced":"Ca4PtO6","formula_anonymous":"AB4C6","energy_above_hull":1.4510676436363634,"spacegroup":167}]}