{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4634","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4632","results":[{"id":"jvasp-112413","created_at":"2022-09-04T14:38:40.058557Z","updated_at":"2022-09-04T14:38:40.058575Z","structure_string":"Na6 Fe2 P2 C2 O14\n1.0\n6.571960 -0.000000 0.000000\n0.000000 5.134813 0.050044\n-0.000000 -0.009149 9.008351\nNa Fe P C O\n6 2 2 2 14\ndirect\n0.499873 0.248403 0.262696 Na\n-0.000127 0.751596 0.737304 Na\n0.500127 0.751596 0.737304 Na\n0.000127 0.248403 0.262696 Na\n0.750000 0.234228 0.917761 Na\n0.250000 0.765771 0.082238 Na\n0.250000 0.221353 0.645180 Fe\n0.750000 0.778646 0.354820 Fe\n0.250000 0.701141 0.412867 P\n0.750000 0.298858 0.587132 P\n0.250000 0.272226 0.941203 C\n0.750000 0.727773 0.058797 C\n0.250000 0.837408 0.564621 O\n0.750000 0.162591 0.435379 O\n0.561387 0.222201 0.683239 O\n0.061387 0.777799 0.316760 O\n0.438613 0.777799 0.316760 O\n0.938613 0.222201 0.683239 O\n0.250000 0.047127 0.875297 O\n0.250000 0.283938 0.084829 O\n0.750000 0.516301 0.139293 O\n0.250000 0.483698 0.860707 O\n0.750000 0.952872 0.124703 O\n0.250000 0.399646 0.437217 O\n0.750000 0.716061 0.915170 O\n0.750000 0.600353 0.562782 O\n","nsites":26,"nelements":5,"elements":["Na","Fe","P","C","O"],"chemical_system":"C-Fe-Na-O-P","density":3.0566747742998666,"density_atomic":0.08552719051996469,"volume":303.99689083591255,"volume_molar":7.04120025852392,"formula_full":"Na6 Fe2 P2 C2 O14","formula_reduced":"Na3FePCO7","formula_anonymous":"ABCD3E7","energy_above_hull":2.41953403846154,"spacegroup":11},{"id":"jvasp-112455","created_at":"2022-09-04T14:38:40.717901Z","updated_at":"2022-09-04T14:38:40.717919Z","structure_string":"Li4 Ti3 Mn2 Nb3 O16\n1.0\n6.041565 -0.001021 0.067901\n3.083696 5.195318 0.067901\n0.057299 0.032616 9.952341\nLi Ti Mn Nb O\n4 3 2 3 16\ndirect\n0.663106 0.663106 0.898251 Li\n0.012211 0.012212 0.995985 Li\n0.008044 0.008044 0.496593 Li\n0.330913 0.330913 0.390720 Li\n0.832313 0.339133 0.216277 Ti\n0.339134 0.832313 0.216277 Ti\n0.162042 0.162043 0.721345 Ti\n0.672808 0.672808 0.496368 Mn\n0.336208 0.336208 0.002922 Mn\n0.185046 0.643230 0.710580 Nb\n0.833090 0.833090 0.214233 Nb\n0.643230 0.185046 0.710580 Nb\n0.160456 0.160456 0.107082 O\n0.690430 0.163522 0.102588 O\n0.313008 0.313009 0.593263 O\n0.026761 0.476831 0.826933 O\n0.476830 0.026762 0.826933 O\n0.844521 0.844521 0.593967 O\n0.511085 0.969197 0.330557 O\n0.517646 0.517646 0.325901 O\n0.318545 0.838520 0.604004 O\n-0.000391 -0.000390 0.816590 O\n0.003400 0.003401 0.317348 O\n0.667848 0.667847 0.104165 O\n0.481923 0.481924 0.851193 O\n0.838520 0.318545 0.604004 O\n0.969198 0.511085 0.330557 O\n0.163522 0.690430 0.102588 O\n","nsites":28,"nelements":5,"elements":["Li","Ti","Mn","Nb","O"],"chemical_system":"Li-Mn-Nb-O-Ti","density":4.3373033238956555,"density_atomic":0.08963236317883294,"volume":312.3871669447662,"volume_molar":6.718712467710718,"formula_full":"Li4 Ti3 Mn2 Nb3 O16","formula_reduced":"Li4Ti3Mn2Nb3O16","formula_anonymous":"A2B3C3D4E16","energy_above_hull":3.4725437029556647,"spacegroup":8},{"id":"jvasp-112533","created_at":"2022-09-04T14:38:41.176564Z","updated_at":"2022-09-04T14:38:41.176598Z","structure_string":"Yb2 Co1 Te2 S2 O14\n1.0\n5.016057 0.098694 -1.732817\n-1.440607 6.845123 -2.886135\n-0.142580 0.023297 7.925200\nYb Co Te S O\n2 1 2 2 14\ndirect\n0.136908 0.245775 0.512530 Yb\n0.863092 0.754225 0.487469 Yb\n0.500000 0.500000 -0.000001 Co\n0.107327 0.769510 0.142731 Te\n0.892673 0.230489 0.857268 Te\n0.565781 0.249577 0.248446 S\n0.434219 0.750423 0.751553 S\n0.552826 0.324143 0.779782 O\n0.447173 0.675857 0.220216 O\n0.119331 0.447276 0.852375 O\n0.880669 0.552723 0.147624 O\n0.568599 0.706327 0.934231 O\n0.431401 0.293673 0.065768 O\n0.724481 0.427967 0.425183 O\n0.750593 0.115504 0.205387 O\n0.149505 0.913295 0.402470 O\n0.275519 0.572032 0.574816 O\n0.668394 0.837702 0.730331 O\n0.331606 0.162298 0.269668 O\n0.249407 0.884496 0.794612 O\n0.850495 0.086705 0.597529 O\n","nsites":21,"nelements":5,"elements":["Yb","Co","Te","S","O"],"chemical_system":"Co-O-S-Te-Yb","density":5.789775547582744,"density_atomic":0.07720941103889062,"volume":271.98756883953223,"volume_molar":7.799749640580252,"formula_full":"Yb2 Co1 Te2 S2 O14","formula_reduced":"Yb2CoTe2(SO7)2","formula_anonymous":"AB2C2D2E14","energy_above_hull":2.3925017539682543,"spacegroup":2},{"id":"jvasp-112230","created_at":"2022-09-04T14:38:43.913680Z","updated_at":"2022-09-04T14:38:43.913693Z","structure_string":"H8 Pb1 C6 S1 O4\n1.0\n4.254708 -0.330059 -0.265821\n-1.608486 4.735076 0.003234\n0.011922 0.287163 10.195558\nH Pb C S O\n8 1 6 1 4\ndirect\n0.269426 0.283884 0.316869 H\n0.639459 0.300768 0.409554 H\n0.251661 0.705649 0.432512 H\n0.214924 0.406036 0.536152 H\n0.077505 0.713075 0.740231 H\n0.844722 0.410763 0.637720 H\n0.316773 0.308886 0.761744 H\n0.666338 0.285962 0.855659 H\n0.283627 0.972124 0.086862 Pb\n0.553287 0.645184 0.904686 C\n0.574961 0.439792 0.802584 C\n0.823829 0.582390 0.696470 C\n0.717897 0.640313 0.267101 C\n0.504862 0.434824 0.369370 C\n0.389756 0.577960 0.475869 C\n0.722292 0.831795 0.584868 S\n0.793240 0.895201 0.922121 O\n0.712747 0.892200 0.250385 O\n0.289029 0.555516 0.973184 O\n0.897577 0.549565 0.198184 O\n","nsites":20,"nelements":5,"elements":["H","Pb","C","S","O"],"chemical_system":"C-H-O-Pb-S","density":3.181192873606591,"density_atomic":0.09993779329738026,"volume":200.1244908468904,"volume_molar":6.025889267016529,"formula_full":"H8 Pb1 C6 S1 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O\n","nsites":15,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.6345631729011776,"density_atomic":0.09766369615371862,"volume":153.58828910581698,"volume_molar":6.166201973885363,"formula_full":"H5 C7 S1 N1 O1","formula_reduced":"H5C7SNO","formula_anonymous":"ABCD5E7","energy_above_hull":5.342271116666667,"spacegroup":1},{"id":"jvasp-110539","created_at":"2022-09-04T14:38:39.665466Z","updated_at":"2022-09-04T14:38:39.665487Z","structure_string":"Sr1 Nd1 Mn1 Co1 O6\n1.0\n4.672582 0.000000 2.697717\n1.557527 4.405353 2.697717\n0.000000 0.000000 5.395434\nSr Nd Mn Co O\n1 1 1 1 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Nd\n0.750000 0.749999 0.750001 Mn\n0.250000 0.250000 0.250000 Co\n0.500211 0.500211 -0.000211 O\n-0.000211 -0.000211 0.500211 O\n-0.000211 0.500211 0.500211 O\n0.500211 -0.000211 -0.000211 O\n0.500211 -0.000211 0.500211 O\n-0.000211 0.500211 -0.000211 O\n","nsites":10,"nelements":5,"elements":["Sr","Nd","Mn","Co","O"],"chemical_system":"Co-Mn-Nd-O-Sr","density":6.604525308519815,"density_atomic":0.0900401002627616,"volume":111.06162666209022,"volume_molar":6.688287487936763,"formula_full":"Sr1 Nd1 Mn1 Co1 O6","formula_reduced":"SrNdMnCoO6","formula_anonymous":"ABCDE6","energy_above_hull":2.5195846951379317,"spacegroup":216},{"id":"jvasp-112441","created_at":"2022-09-04T14:38:40.459559Z","updated_at":"2022-09-04T14:38:40.459584Z","structure_string":"Li6 Fe2 P2 C2 O14\n1.0\n4.931558 -0.000000 0.000000\n0.000000 6.279741 0.000000\n-0.000000 -0.000000 8.595314\nLi Fe P C O\n6 2 2 2 14\ndirect\n0.521684 0.260260 0.734137 Li\n0.521684 0.739739 0.734137 Li\n0.910072 0.500000 0.927068 Li\n0.410072 0.000000 0.072932 Li\n0.021684 0.760260 0.265863 Li\n0.021684 0.239740 0.265863 Li\n0.519179 0.500000 0.359100 Fe\n0.019179 0.000000 0.640900 Fe\n0.029715 0.500000 0.584621 P\n0.529716 0.000000 0.415379 P\n0.947749 0.000000 0.968023 C\n0.447748 0.500000 0.031976 C\n0.933098 0.500000 0.411325 O\n0.343985 0.500000 0.584619 O\n0.416260 0.805459 0.324673 O\n0.416260 0.194540 0.324673 O\n0.653740 0.500000 0.126929 O\n0.200892 0.500000 0.081120 O\n0.916260 0.305460 0.675327 O\n0.503833 0.500000 0.883930 O\n0.700892 0.000000 0.918879 O\n0.153740 0.000000 0.873070 O\n0.916260 0.694540 0.675327 O\n0.433098 0.000000 0.588675 O\n0.003832 0.000000 0.116069 O\n0.843985 0.000000 0.415381 O\n","nsites":26,"nelements":5,"elements":["Li","Fe","P","C","O"],"chemical_system":"C-Fe-Li-O-P","density":2.890150876512105,"density_atomic":0.09767551816387228,"volume":266.18747961366586,"volume_molar":6.165455656858177,"formula_full":"Li6 Fe2 P2 C2 O14","formula_reduced":"Li3FePCO7","formula_anonymous":"ABCD3E7","energy_above_hull":2.812005038461539,"spacegroup":31},{"id":"jvasp-111666","created_at":"2022-09-04T14:38:41.358845Z","updated_at":"2022-09-04T14:38:41.358875Z","structure_string":"K2 Mg1 Mo2 H4 O10\n1.0\n5.849353 -0.016197 -0.676875\n-2.407680 5.567999 -2.294757\n0.008976 0.022888 7.683891\nK Mg Mo H O\n2 1 2 4 10\ndirect\n0.341472 0.711609 0.239495 K\n0.658528 0.288391 0.760506 K\n0.000000 0.000000 0.000000 Mg\n0.325141 0.661574 0.759155 Mo\n0.674859 0.338426 0.240845 Mo\n0.926090 0.863693 0.297022 H\n0.073910 0.136307 0.702978 H\n0.127378 0.131503 0.390950 H\n0.872622 0.868497 0.609050 H\n0.903958 0.298680 0.111869 O\n0.096042 0.701320 0.888131 O\n0.380844 0.230450 0.071552 O\n0.619156 0.769550 0.928448 O\n0.350963 0.812167 0.608902 O\n0.237979 0.347506 0.622232 O\n0.649037 0.187833 0.391098 O\n0.052477 0.983731 0.267314 O\n0.762021 0.652494 0.377768 O\n0.947523 0.016269 0.732686 O\n","nsites":19,"nelements":5,"elements":["K","Mg","Mo","H","O"],"chemical_system":"H-K-Mg-Mo-O","density":3.040712568082623,"density_atomic":0.0758976432966591,"volume":250.33715376029798,"volume_molar":7.9345556705383045,"formula_full":"K2 Mg1 Mo2 H4 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Se\n","nsites":16,"nelements":5,"elements":["Mn","Cd","Cu","Sn","Se"],"chemical_system":"Cd-Cu-Mn-Se-Sn","density":5.439478894533026,"density_atomic":0.04060929039702039,"volume":393.9985122511267,"volume_molar":14.829465625042936,"formula_full":"Mn1 Cd1 Cu4 Sn2 Se8","formula_reduced":"MnCdCu4(SnSe4)2","formula_anonymous":"ABC2D4E8","energy_above_hull":0.9620161952945404,"spacegroup":5},{"id":"jvasp-112651","created_at":"2022-09-04T14:38:43.068332Z","updated_at":"2022-09-04T14:38:43.068354Z","structure_string":"Rb1 Ba3 Ga5 Se10 Cl2\n1.0\n7.843422 0.032790 -3.741626\n-1.846536 7.668806 -3.814266\n0.069311 -0.009561 9.957348\nRb Ba Ga Se Cl\n1 3 5 10 2\ndirect\n0.489089 0.353154 0.229889 Rb\n0.748483 0.874474 0.230277 Ba\n0.119556 0.508933 0.773511 Ba\n0.637312 0.236647 0.770061 Ba\n0.006897 0.002218 0.001125 Ga\n0.071103 0.474519 0.337635 Ga\n0.257759 0.852709 0.320859 Ga\n0.145177 0.935491 0.670294 Ga\n0.527747 0.735222 0.664808 Ga\n0.443387 0.953526 0.858097 Se\n0.045579 0.576068 0.139657 Se\n0.807733 0.716454 0.855468 Se\n0.042330 0.144887 0.851196 Se\n0.289440 0.936358 0.131079 Se\n0.167835 0.075379 0.511766 Se\n0.550811 0.823093 0.470438 Se\n0.931739 0.658583 0.496444 Se\n0.346778 0.447833 0.529011 Se\n0.865321 0.192778 0.153377 Se\n0.500311 0.507524 0.992881 Cl\n0.755605 0.244156 0.512123 Cl\n","nsites":21,"nelements":5,"elements":["Rb","Ba","Ga","Se","Cl"],"chemical_system":"Ba-Cl-Ga-Rb-Se","density":4.713911844609575,"density_atomic":0.03493233350513335,"volume":601.1622440543237,"volume_molar":17.239445968060046,"formula_full":"Rb1 Ba3 Ga5 Se10 Cl2","formula_reduced":"RbBa3Ga5(Se5Cl)2","formula_anonymous":"AB2C3D5E10","energy_above_hull":0.5543614922222223,"spacegroup":1},{"id":"jvasp-112064","created_at":"2022-09-04T14:38:43.588422Z","updated_at":"2022-09-04T14:38:43.588433Z","structure_string":"Al1 H16 C10 Cl1 O4\n1.0\n4.496240 -0.200018 -1.138609\n-2.550008 6.994079 -1.400807\n-0.263689 0.476400 9.790473\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.196207 0.312812 0.902877 Al\n0.406441 0.728737 0.533225 H\n0.794590 0.499479 0.443904 H\n0.448214 0.403007 0.494956 H\n0.721191 0.653748 0.732193 H\n0.084099 0.729585 0.687969 H\n0.573598 0.192320 0.263573 H\n0.795984 0.054451 0.226325 H\n0.351664 0.626502 0.351268 H\n0.922437 0.178277 0.491910 H\n-0.005698 0.921982 0.570000 H\n0.917271 0.835181 0.383158 H\n0.395950 0.830372 0.976419 H\n0.980363 0.737384 0.960546 H\n0.296935 0.752510 0.199095 H\n0.085117 -0.093308 0.206633 H\n0.521674 0.050854 0.479556 H\n0.209304 0.861777 0.012128 C\n0.288080 0.889050 0.177600 C\n0.804627 0.873129 0.462056 C\n0.710434 0.046368 0.432107 C\n0.602381 0.054493 0.270907 C\n0.655168 0.534957 0.510365 C\n0.533247 0.690455 0.460734 C\n0.971038 0.467052 0.745686 C\n0.162403 0.027458 0.956904 C\n0.863575 0.606928 0.673360 C\n0.572502 0.520795 0.088307 Cl\n0.835723 0.381496 0.831184 O\n0.021363 0.127368 0.007777 O\n0.274492 0.088297 0.855991 O\n0.224366 0.433918 0.740947 O\n","nsites":32,"nelements":5,"elements":["Al","H","C","Cl","O"],"chemical_system":"Al-C-Cl-H-O","density":1.4295981573697616,"density_atomic":0.10488435330690123,"volume":305.0979387398716,"volume_molar":5.7416960396167624,"formula_full":"Al1 H16 C10 Cl1 O4","formula_reduced":"AlH16C10ClO4","formula_anonymous":"ABC4D10E16","energy_above_hull":4.534092527109375,"spacegroup":1},{"id":"jvasp-112042","created_at":"2022-09-04T14:38:43.745074Z","updated_at":"2022-09-04T14:38:43.745096Z","structure_string":"Sn2 H18 C18 N2 O8\n1.0\n6.223331 0.128707 1.397154\n1.878528 8.316528 1.655507\n0.127523 0.305817 9.423473\nSn H C N O\n2 18 18 2 8\ndirect\n0.757918 0.779280 0.524886 Sn\n0.257658 0.779474 0.024924 Sn\n0.742569 0.328001 0.189326 H\n0.891312 0.786259 0.928174 H\n0.822919 0.786563 0.124332 H\n0.516215 0.095845 -0.015038 H\n0.987699 0.517388 0.044496 H\n0.503772 0.719845 0.237135 H\n0.855504 0.970520 -0.006442 H\n0.870074 0.555083 0.757052 H\n0.610679 0.574210 0.114981 H\n0.242925 0.327920 0.689280 H\n0.488113 0.517249 0.544439 H\n0.323294 0.786259 0.624578 H\n0.355641 0.970204 0.493705 H\n0.004037 0.719574 0.737147 H\n0.391401 0.785883 0.428428 H\n0.369818 0.555316 0.257148 H\n0.016528 0.095640 0.484950 H\n0.110964 0.574022 0.614917 H\n0.430817 0.428244 0.933255 C\n0.915299 0.283842 0.141920 C\n0.910784 0.838503 0.018029 C\n0.003397 0.117488 0.162234 C\n0.346528 0.150862 0.031328 C\n0.051698 0.386618 0.064011 C\n0.273938 0.320512 0.011966 C\n0.859277 0.013312 0.264543 C\n0.461632 0.639759 0.179777 C\n0.774311 0.320339 0.511933 C\n0.552083 0.386478 0.563971 C\n0.415650 0.283733 0.641886 C\n0.503695 0.117373 0.662217 C\n0.846852 0.150684 0.531316 C\n0.931207 0.428053 0.433204 C\n0.961905 0.639546 0.679724 C\n0.410989 0.838194 0.518204 C\n0.359485 0.013271 0.764538 C\n0.213714 0.050274 0.101589 N\n0.714001 0.050119 0.601587 N\n0.468834 0.882886 0.843352 O\n0.834767 0.582759 0.400116 O\n0.155636 0.055714 0.779402 O\n0.632220 0.369108 0.901764 O\n0.968763 0.882882 0.343245 O\n0.655423 0.055703 0.279486 O\n0.132605 0.368903 0.401713 O\n0.334351 0.582940 0.900191 O\n","nsites":48,"nelements":5,"elements":["Sn","H","C","N","O"],"chemical_system":"C-H-N-O-Sn","density":2.164305596862557,"density_atomic":0.09965847393609932,"volume":481.6449430158587,"volume_molar":6.042778423299334,"formula_full":"Sn2 H18 C18 N2 O8","formula_reduced":"SnH9C9NO4","formula_anonymous":"ABC4D9E9","energy_above_hull":4.9108591229166665,"spacegroup":1}]}