{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=584","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=582","results":[{"id":"jvasp-52528","created_at":"2022-09-04T14:38:06.774219Z","updated_at":"2022-09-04T14:38:06.774244Z","structure_string":"Li4 Sb4 O12\n1.0\n5.987931 0.000000 -0.000000\n0.000000 5.987931 0.000000\n-0.000000 -0.000000 5.987931\nLi Sb O\n4 4 12\ndirect\n0.873985 0.873985 0.873985 Li\n0.626014 0.126014 0.373985 Li\n0.373985 0.626014 0.126014 Li\n0.126014 0.373985 0.626014 Li\n0.091097 0.908903 0.408903 Sb\n0.408903 0.091097 0.908903 Sb\n0.591097 0.591097 0.591097 Sb\n0.908903 0.408903 0.091097 Sb\n0.773057 0.864922 0.514558 O\n0.726943 0.135078 0.014558 O\n0.635078 0.485442 0.273057 O\n0.485442 0.273057 0.635078 O\n0.514558 0.773057 0.864922 O\n0.135078 0.014558 0.726943 O\n0.273057 0.635078 0.485442 O\n0.226943 0.364922 0.985441 O\n0.864922 0.514558 0.773057 O\n0.985441 0.226943 0.364922 O\n0.364922 0.985441 0.226943 O\n0.014558 0.726943 0.135078 O\n","nsites":20,"nelements":3,"elements":["Li","Sb","O"],"chemical_system":"Li-O-Sb","density":5.466549818236633,"density_atomic":0.0931535980025659,"volume":214.69916813571822,"volume_molar":6.464743057841009,"formula_full":"Li4 Sb4 O12","formula_reduced":"LiSbO3","formula_anonymous":"ABC3","energy_above_hull":1.6807173200000003,"spacegroup":198},{"id":"jvasp-112272","created_at":"2022-09-04T14:38:26.231063Z","updated_at":"2022-09-04T14:38:26.231091Z","structure_string":"Tl2 Sb2 P4 Se12\n1.0\n7.807242 -0.000000 0.000000\n0.000000 6.957693 0.102866\n-0.000000 -0.036020 10.093638\nTl Sb P Se\n2 2 4 12\ndirect\n0.777840 0.190383 0.000778 Tl\n0.277840 0.809616 -0.000778 Tl\n0.512772 0.309113 0.516895 Sb\n0.012772 0.690887 0.483106 Sb\n0.288343 0.302333 0.808417 P\n0.788343 0.697666 0.191583 P\n0.069773 0.194800 0.678482 P\n0.569773 0.805200 0.321518 P\n0.876702 0.432216 0.305605 Se\n0.376702 0.567783 0.694396 Se\n0.195737 0.340202 0.008055 Se\n0.695737 0.659798 0.991946 Se\n0.990610 0.916126 0.227516 Se\n0.972059 0.923747 0.765110 Se\n0.695187 0.851580 0.523556 Se\n0.195187 0.148420 0.476444 Se\n0.872304 0.429732 0.678514 Se\n0.472060 0.076253 0.234890 Se\n0.490610 0.083873 0.772485 Se\n0.372304 0.570268 0.321486 Se\n","nsites":20,"nelements":4,"elements":["Tl","Sb","P","Se"],"chemical_system":"P-Sb-Se-Tl","density":5.220085941889919,"density_atomic":0.03647509691563736,"volume":548.3193107411795,"volume_molar":16.510280353547813,"formula_full":"Tl2 Sb2 P4 Se12","formula_reduced":"TlSb(PSe3)2","formula_anonymous":"ABC2D6","energy_above_hull":1.80847999,"spacegroup":4},{"id":"jvasp-54738","created_at":"2022-09-04T14:38:15.530019Z","updated_at":"2022-09-04T14:38:15.530047Z","structure_string":"Zn4 H8 O8\n1.0\n5.796284 0.000000 0.000000\n0.000000 5.938662 0.000000\n0.000000 0.000000 5.215924\nZn H O\n4 8 8\ndirect\n0.388872 0.099998 0.619778 Zn\n0.611127 0.599998 0.880221 Zn\n0.888872 0.400001 0.380221 Zn\n0.111127 0.900001 0.119778 Zn\n0.124699 0.774812 0.635196 H\n0.875300 0.274812 0.864802 H\n0.375301 0.225188 0.135197 H\n0.624698 0.725188 0.364803 H\n0.302359 0.571775 0.309468 H\n0.197641 0.428224 0.809468 H\n0.802358 0.928224 0.690531 H\n0.697641 0.071776 0.190531 H\n0.881062 0.413474 0.759247 O\n0.638811 0.878510 0.683273 O\n0.361189 0.378511 0.816725 O\n0.138811 0.621489 0.316726 O\n0.861188 0.121489 0.183274 O\n0.381062 0.086526 0.240752 O\n0.618937 0.586526 0.259248 O\n0.118937 0.913474 0.740752 O\n","nsites":20,"nelements":3,"elements":["Zn","H","O"],"chemical_system":"H-O-Zn","density":3.678149720311853,"density_atomic":0.11139366074423765,"volume":179.5434306259173,"volume_molar":5.406179058812844,"formula_full":"Zn4 H8 O8","formula_reduced":"Zn(HO)2","formula_anonymous":"AB2C2","energy_above_hull":1.5436554799999995,"spacegroup":19},{"id":"jvasp-55791","created_at":"2022-09-04T14:38:15.418457Z","updated_at":"2022-09-04T14:38:15.418481Z","structure_string":"Ti4 Fe4 O12\n1.0\n5.154850 0.000000 0.000000\n0.000000 5.242775 0.000000\n0.000000 0.000000 7.493425\nTi Fe O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.991560 0.955743 0.750000 Fe\n0.491560 0.544255 0.250000 Fe\n0.508440 0.455744 0.750000 Fe\n0.008440 0.044256 0.250000 Fe\n0.169206 0.175971 0.936784 O\n0.669206 0.324029 0.063215 O\n0.330794 0.675970 0.563215 O\n0.381963 0.928462 0.250000 O\n0.618037 0.071537 0.750000 O\n0.169206 0.175971 0.563215 O\n0.330794 0.675970 0.936784 O\n0.830794 0.824028 0.063215 O\n0.881963 0.571536 0.750000 O\n0.830794 0.824028 0.436785 O\n0.118037 0.428463 0.250000 O\n0.669206 0.324029 0.436785 O\n","nsites":20,"nelements":3,"elements":["Ti","Fe","O"],"chemical_system":"Fe-O-Ti","density":4.975838230610703,"density_atomic":0.098758020996882,"volume":202.51519621511497,"volume_molar":6.097875088232208,"formula_full":"Ti4 Fe4 O12","formula_reduced":"TiFeO3","formula_anonymous":"ABC3","energy_above_hull":2.6243188666666666,"spacegroup":62},{"id":"jvasp-30401","created_at":"2022-09-04T14:38:06.675658Z","updated_at":"2022-09-04T14:38:06.675668Z","structure_string":"V4 O4 F12\n1.0\n-4.888713 0.078020 0.428728\n0.067094 -5.650343 -0.119578\n-0.720284 0.223263 9.324928\nV O F\n4 4 12\ndirect\n0.775142 0.534406 0.777605 V\n0.531524 0.959976 0.530198 V\n0.278690 0.460567 0.277112 V\n0.025757 0.978151 0.025616 V\n0.877939 0.752732 0.878525 O\n0.630528 0.760858 0.630182 O\n0.370862 0.249292 0.365556 O\n0.121524 0.777522 0.120392 O\n0.174427 -0.013320 0.592777 F\n0.303676 0.021270 0.882401 F\n0.380641 0.724752 0.383581 F\n0.416693 0.511716 0.838780 F\n0.556612 0.508196 0.134759 F\n0.859995 0.283792 0.866335 F\n0.672695 0.020100 0.094213 F\n0.803583 -0.017193 0.383050 F\n0.126923 0.256178 0.123731 F\n0.924626 0.496846 0.345698 F\n0.620204 0.230128 0.618781 F\n0.047952 0.504034 0.630717 F\n","nsites":20,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":3.2197802391201296,"density_atomic":0.07822566758602144,"volume":255.67055695634494,"volume_molar":7.698420410893532,"formula_full":"V4 O4 F12","formula_reduced":"VOF3","formula_anonymous":"ABC3","energy_above_hull":0.8042897094999998,"spacegroup":1},{"id":"jvasp-21799","created_at":"2022-09-04T14:38:06.723493Z","updated_at":"2022-09-04T14:38:06.723521Z","structure_string":"Pr4 B16\n1.0\n7.274420 0.000000 -0.000000\n0.000000 7.274420 -0.000000\n-0.000000 -0.000000 4.151158\nPr B\n4 16\ndirect\n0.182554 0.682554 0.000000 Pr\n0.682554 0.817446 0.000000 Pr\n0.317446 0.182554 0.000000 Pr\n0.817446 0.317446 0.000000 Pr\n0.173636 0.961134 0.500000 B\n0.038866 0.173636 0.500000 B\n0.411535 0.911535 0.500000 B\n0.911535 0.588465 0.500000 B\n0.088465 0.411535 0.500000 B\n0.588465 0.088465 0.500000 B\n0.500000 0.500000 0.205464 B\n0.500000 0.500000 0.794536 B\n0.826364 0.038866 0.500000 B\n0.000000 0.000000 0.205464 B\n0.461134 0.673636 0.500000 B\n0.538866 0.326364 0.500000 B\n0.673636 0.538866 0.500000 B\n0.326364 0.461134 0.500000 B\n0.000000 0.000000 0.794536 B\n0.961134 0.826364 0.500000 B\n","nsites":20,"nelements":2,"elements":["Pr","B"],"chemical_system":"B-Pr","density":5.568249610920733,"density_atomic":0.09104665354713927,"volume":219.66760139783753,"volume_molar":6.614346080146753,"formula_full":"Pr4 B16","formula_reduced":"PrB4","formula_anonymous":"AB4","energy_above_hull":4.061074036666668,"spacegroup":127},{"id":"jvasp-37306","created_at":"2022-09-04T14:38:15.133646Z","updated_at":"2022-09-04T14:38:15.133661Z","structure_string":"Sm8 Re4 C8\n1.0\n5.266079 -0.000000 0.000000\n-0.000000 6.655574 0.000000\n0.000000 0.000000 10.056548\nSm Re C\n8 4 8\ndirect\n0.750000 0.526820 0.785156 Sm\n0.250000 0.973180 0.285156 Sm\n0.750000 0.026820 0.714844 Sm\n0.250000 0.473180 0.214844 Sm\n0.750000 0.186171 0.051802 Sm\n0.250000 0.813829 0.948198 Sm\n0.750000 0.686170 0.448198 Sm\n0.250000 0.313829 0.551802 Sm\n0.750000 0.725982 0.138214 Re\n0.250000 0.774017 0.638214 Re\n0.250000 0.274018 0.861786 Re\n0.750000 0.225982 0.361786 Re\n0.250000 0.039289 0.741650 C\n0.750000 0.460711 0.241650 C\n0.250000 0.539289 0.758350 C\n0.750000 0.960710 0.258350 C\n0.250000 0.683156 0.456381 C\n0.750000 0.816844 0.956381 C\n0.250000 0.183156 0.043619 C\n0.750000 0.316844 0.543619 C\n","nsites":20,"nelements":3,"elements":["Sm","Re","C"],"chemical_system":"C-Re-Sm","density":9.628625935074334,"density_atomic":0.05674246237628165,"volume":352.46972306862733,"volume_molar":10.613111429787462,"formula_full":"Sm8 Re4 C8","formula_reduced":"Sm2ReC2","formula_anonymous":"AB2C2","energy_above_hull":4.61509715,"spacegroup":62},{"id":"jvasp-25632","created_at":"2022-09-04T14:38:14.754817Z","updated_at":"2022-09-04T14:38:14.754845Z","structure_string":"K2 Bi2 P4 S12\n1.0\n0.000000 6.654454 -0.027687\n7.394637 0.000000 0.000000\n0.000000 -0.342323 -9.855206\nK Bi P S\n2 2 4 12\ndirect\n0.697042 0.472737 0.497547 K\n0.302958 0.972738 0.502453 K\n0.216037 0.208262 0.016316 Bi\n0.783963 0.708262 0.983685 Bi\n0.315184 0.689091 0.175093 P\n0.804038 0.960414 0.698060 P\n0.684816 0.189090 0.824908 P\n0.195962 0.460413 0.301941 P\n0.912212 0.379550 0.825429 S\n0.832484 0.045610 0.509290 S\n0.057975 0.878592 0.808936 S\n0.647296 0.073542 0.014560 S\n0.408283 0.264674 0.274226 S\n0.167516 0.545610 0.490711 S\n0.352704 0.573542 0.985441 S\n0.591717 0.764674 0.725775 S\n0.087788 0.879550 0.174571 S\n0.577481 0.776423 0.258562 S\n0.942025 0.378591 0.191065 S\n0.422519 0.276423 0.741439 S\n","nsites":20,"nelements":4,"elements":["K","Bi","P","S"],"chemical_system":"Bi-K-P-S","density":3.44021032020946,"density_atomic":0.04123559274125977,"volume":485.01788553140585,"volume_molar":14.604229888938466,"formula_full":"K2 Bi2 P4 S12","formula_reduced":"KBi(PS3)2","formula_anonymous":"ABC2D6","energy_above_hull":2.01332833,"spacegroup":4},{"id":"jvasp-117411","created_at":"2022-09-04T14:38:26.416869Z","updated_at":"2022-09-04T14:38:26.416884Z","structure_string":"Li5 Co5 O9 F1\n1.0\n4.679163 -0.062567 1.559449\n0.424863 4.696385 1.628216\n0.140525 0.069237 7.577585\nLi Co O F\n5 5 9 1\ndirect\n0.693116 0.494719 0.090509 Li\n0.111329 0.497697 0.306210 Li\n0.498644 0.499537 0.509475 Li\n0.898981 0.512062 0.695340 Li\n0.296732 0.510571 0.899171 Li\n0.601087 0.004701 0.799496 Co\n0.200145 0.005908 0.599865 Co\n0.002154 0.008119 0.995864 Co\n0.393405 0.006238 0.198315 Co\n0.799985 0.017249 0.397286 Co\n0.947876 0.784329 0.844240 O\n0.049661 0.215084 0.152428 O\n0.346225 0.780198 0.043733 O\n0.451018 0.217138 0.351347 O\n0.855569 0.233281 0.564854 O\n0.147469 0.786799 0.446133 O\n0.254106 0.222156 0.755074 O\n0.550680 0.789297 0.642514 O\n0.650016 0.216399 0.958053 O\n0.751781 0.698510 0.250111 F\n","nsites":20,"nelements":4,"elements":["Li","Co","O","F"],"chemical_system":"Co-F-Li-O","density":4.9492426962349985,"density_atomic":0.12106911757188768,"volume":165.19489363688905,"volume_molar":4.9741345115728715,"formula_full":"Li5 Co5 O9 F1","formula_reduced":"Li5Co5O9F","formula_anonymous":"AB5C5D9","energy_above_hull":2.535612314125,"spacegroup":1},{"id":"jvasp-43383","created_at":"2022-09-04T14:38:14.283889Z","updated_at":"2022-09-04T14:38:14.283918Z","structure_string":"Zr8 N8 O4\n1.0\n5.562541 -0.037658 0.025577\n0.024312 3.159840 9.813306\n2.813884 -4.798473 0.025577\nZr N O\n8 8 4\ndirect\n0.414734 0.712971 0.145877 Zr\n0.323692 0.038507 0.381807 Zr\n0.168974 0.463014 0.666023 Zr\n0.046989 0.786988 0.868012 Zr\n0.906699 0.211494 0.137801 Zr\n0.563628 0.287477 0.859748 Zr\n0.677728 0.962524 0.648894 Zr\n0.817092 0.537031 0.372296 Zr\n0.881322 0.367864 0.944870 N\n0.833035 0.630386 0.746006 N\n0.587038 0.375714 0.545187 N\n0.672992 0.882138 0.250814 N\n0.080527 0.874287 0.537247 N\n0.623868 0.122445 0.042777 N\n0.134379 0.619615 0.036578 N\n0.329669 0.127556 0.753687 N\n0.379851 0.866138 0.931038 O\n0.185099 0.383863 0.254011 O\n0.440632 0.625001 0.434368 O\n0.932036 0.125001 0.442964 O\n","nsites":20,"nelements":3,"elements":["Zr","N","O"],"chemical_system":"N-O-Zr","density":5.760674840861152,"density_atomic":0.07659514312464924,"volume":261.11316180260206,"volume_molar":7.8623010733196255,"formula_full":"Zr8 N8 O4","formula_reduced":"Zr2N2O","formula_anonymous":"AB2C2","energy_above_hull":4.0903718,"spacegroup":5},{"id":"jvasp-112291","created_at":"2022-09-04T14:38:26.668297Z","updated_at":"2022-09-04T14:38:26.668327Z","structure_string":"Pr4 Si2 C2 N4 O8\n1.0\n6.209773 0.047341 1.930967\n1.731380 6.490113 0.546917\n0.010911 -0.030583 6.789360\nPr Si C N O\n4 2 2 4 8\ndirect\n0.543767 0.680307 0.214091 Pr\n0.456233 0.319693 0.785910 Pr\n0.935950 0.762326 0.668562 Pr\n0.064050 0.237674 0.331439 Pr\n0.041598 0.704336 0.185808 Si\n0.958401 0.295664 0.814193 Si\n0.434973 0.820962 0.695789 C\n0.565026 0.179038 0.304212 C\n0.641822 0.297500 0.374122 N\n0.358177 0.702499 0.625879 N\n0.479188 0.068553 0.237116 N\n0.520812 0.931447 0.762885 N\n0.886245 0.131609 0.697158 O\n0.113755 0.868391 0.302843 O\n0.139926 0.387394 0.626908 O\n0.860074 0.612606 0.373093 O\n0.908707 0.777416 0.016078 O\n0.091293 0.222584 0.983923 O\n0.725314 0.483046 0.886429 O\n0.274686 0.516954 0.113571 O\n","nsites":20,"nelements":5,"elements":["Pr","Si","C","N","O"],"chemical_system":"C-N-O-Pr-Si","density":5.036628975475051,"density_atomic":0.07327769970631505,"volume":272.9343317292533,"volume_molar":8.218244819550488,"formula_full":"Pr4 Si2 C2 N4 O8","formula_reduced":"Pr2SiC(NO2)2","formula_anonymous":"ABC2D2E4","energy_above_hull":3.643589879999999,"spacegroup":2},{"id":"jvasp-33871","created_at":"2022-09-04T14:38:13.895615Z","updated_at":"2022-09-04T14:38:13.895626Z","structure_string":"Te12 Rh2 Cl6\n1.0\n7.229053 4.173695 3.273823\n-7.229053 4.173695 3.273823\n0.000000 -8.347389 3.273823\nTe Rh Cl\n12 2 6\ndirect\n0.806560 0.826667 0.082758 Te\n0.582759 0.326667 0.306560 Te\n0.306560 0.582759 0.326668 Te\n0.173333 0.917240 0.193438 Te\n0.917240 0.193440 0.173332 Te\n0.193440 0.173332 0.917239 Te\n0.326667 0.306560 0.582759 Te\n0.693440 0.417239 0.673331 Te\n0.673331 0.693439 0.417239 Te\n0.826667 0.082759 0.806559 Te\n0.082759 0.806559 0.826666 Te\n0.417239 0.673332 0.693438 Te\n0.750000 0.750000 0.749999 Rh\n0.250000 0.250000 0.250000 Rh\n0.250000 0.519878 0.980122 Cl\n0.019877 0.750000 0.480120 Cl\n0.750000 0.480122 0.019876 Cl\n0.480120 0.019877 0.749999 Cl\n0.980122 0.250000 0.519877 Cl\n0.519878 0.980122 0.249998 Cl\n","nsites":20,"nelements":3,"elements":["Te","Rh","Cl"],"chemical_system":"Cl-Rh-Te","density":5.462793950401801,"density_atomic":0.033745935074633304,"volume":592.6639743651356,"volume_molar":17.84552938503939,"formula_full":"Te12 Rh2 Cl6","formula_reduced":"Te6RhCl3","formula_anonymous":"AB3C6","energy_above_hull":0.9997191802500004,"spacegroup":167}]}