{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=4398","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=4396","results":[{"id":"jvasp-57140","created_at":"2022-09-04T14:38:33.533495Z","updated_at":"2022-09-04T14:38:33.533510Z","structure_string":"Na2 Sb2 P4 S12\n1.0\n0.000000 6.538192 -0.059149\n7.477270 0.000000 0.000000\n0.000000 -0.472030 -9.339188\nNa Sb P S\n2 2 4 12\ndirect\n0.305801 0.548456 0.499060 Na\n0.694199 0.048456 0.500940 Na\n0.189524 0.264027 0.016266 Sb\n0.810475 0.764027 0.983734 Sb\n0.313704 0.830153 0.184883 P\n0.185476 0.048288 0.321626 P\n0.814524 0.548288 0.678374 P\n0.686296 0.330153 0.815118 P\n0.424526 0.239805 0.721680 S\n0.910853 0.134712 0.822072 S\n0.575474 0.739805 0.278320 S\n0.089147 0.634712 0.177929 S\n0.066363 0.628144 0.806756 S\n0.933637 0.128144 0.193245 S\n0.875214 0.441298 0.491824 S\n0.124786 0.941298 0.508176 S\n0.648575 0.447644 0.015239 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H\n0.311678 0.846715 0.632455 H\n0.131309 0.867709 0.261802 H\n0.263850 0.953621 0.665656 H\n0.566172 0.440758 0.273858 H\n0.410523 0.460950 0.404721 H\n0.870151 0.367782 0.238216 H\n0.019255 0.499980 0.353466 H\n0.894382 0.045012 0.489630 H\n-0.017808 -0.000074 0.146370 H\n0.590993 -0.039066 0.095439 H\n0.435377 0.940767 0.226487 H\n0.469626 0.071539 0.221654 H\n0.504327 0.175831 0.472951 H\n0.959863 0.821286 0.240857 H\n0.087794 0.792004 0.908215 H\n0.913714 0.292093 0.591581 H\n0.041608 0.321356 0.258838 H\n0.531904 0.571508 0.278531 H\n0.107149 0.544920 0.010221 H\n0.265011 0.337324 0.113295 N\n0.255707 0.675642 0.795403 N\n0.736466 0.837254 0.386569 N\n0.745760 0.175755 0.704265 N\n0.569732 0.638686 0.171615 O\n0.273735 0.900902 0.478522 O\n0.508405 0.482778 0.440608 O\n0.011435 0.527081 0.086192 O\n0.213767 0.103616 0.732922 O\n-0.009925 0.027137 0.413502 O\n0.493102 -0.017243 0.059642 O\n0.431754 0.138737 0.328402 O\n0.052432 0.846064 0.078708 O\n0.949055 0.346142 0.421206 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10.716430\nTi Mn P\n2 4 24\ndirect\n0.302693 -0.000000 0.750000 Ti\n0.697307 -0.000000 0.250000 Ti\n0.372017 0.364653 0.546475 Mn\n0.992637 0.364654 0.046475 Mn\n0.627984 0.635347 0.453525 Mn\n0.007364 0.635347 0.953525 Mn\n0.416007 0.124884 0.167336 P\n0.291124 0.875116 0.332664 P\n0.647385 0.642979 0.663675 P\n0.004405 0.357021 0.836326 P\n0.352616 0.357021 0.336326 P\n0.995596 0.642979 0.163675 P\n0.431906 0.764977 0.992903 P\n0.666929 0.235023 0.507098 P\n0.568095 0.235023 0.007098 P\n0.594998 0.547315 0.925033 P\n0.983174 0.065431 0.927657 P\n0.082258 0.065431 0.427657 P\n0.016826 0.934569 0.072344 P\n0.331097 0.312122 0.743070 P\n0.018975 0.687878 0.756930 P\n0.668904 0.687879 0.256931 P\n0.981026 0.312122 0.243070 P\n0.708877 0.124884 0.667336 P\n0.583994 0.875116 0.832664 P\n0.952318 0.547316 0.425033 P\n0.405003 0.452685 0.074968 P\n0.047683 0.452685 0.574967 P\n0.917743 0.934569 0.572344 P\n0.333072 0.764977 0.492903 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0.346063 S\n0.402064 0.250000 0.049948 S\n0.597935 0.750000 0.950052 S\n0.097936 0.750000 0.549948 S\n0.888409 0.995923 0.153937 S\n0.902064 0.250000 0.450052 S\n0.888409 0.504077 0.153937 S\n0.388409 0.504077 0.346063 S\n","nsites":20,"nelements":3,"elements":["Ca","Sn","S"],"chemical_system":"Ca-S-Sn","density":3.70494832865328,"density_atomic":0.04375138803643233,"volume":457.1283540386364,"volume_molar":13.764456467038915,"formula_full":"Ca4 Sn4 S12","formula_reduced":"CaSnS3","formula_anonymous":"ABC3","energy_above_hull":1.006234424,"spacegroup":62},{"id":"jvasp-91229","created_at":"2022-09-04T14:35:54.904921Z","updated_at":"2022-09-04T14:35:54.904948Z","structure_string":"K4 Pd6 Se8\n1.0\n6.230249 0.000000 1.488924\n3.115124 5.505599 0.744461\n0.101975 0.000000 13.352681\nK Pd Se\n4 6 8\ndirect\n0.302080 0.250000 0.395840 K\n0.447919 0.250000 0.104160 K\n0.697918 0.750000 0.604160 K\n0.552079 0.750000 0.895839 K\n0.124999 0.750000 0.750000 Pd\n0.626033 0.250000 0.747931 Pd\n0.123965 0.250000 0.752069 Pd\n0.373965 0.750000 0.252069 Pd\n0.876033 0.750000 0.247931 Pd\n0.875000 0.250000 0.250000 Pd\n0.886564 0.084791 0.879211 Se\n0.765776 0.584791 0.120789 Se\n0.971356 0.915210 0.379211 Se\n0.113434 0.915210 0.120789 Se\n0.234223 0.415210 0.879211 Se\n0.028643 0.084791 0.620789 Se\n0.350566 0.415210 0.620789 Se\n0.649433 0.584791 0.379211 Se\n","nsites":18,"nelements":3,"elements":["K","Pd","Se"],"chemical_system":"K-Pd-Se","density":5.181603272101326,"density_atomic":0.03937199455327404,"volume":457.177752974752,"volume_molar":15.295493226413697,"formula_full":"K4 Pd6 Se8","formula_reduced":"K2Pd3Se4","formula_anonymous":"A2B3C4","energy_above_hull":1.0653629518518517,"spacegroup":70},{"id":"jvasp-98628","created_at":"2022-09-04T14:36:15.276838Z","updated_at":"2022-09-04T14:36:15.276859Z","structure_string":"Rb1 Co1 H24 C14 N8\n1.0\n-4.331392 4.331392 6.092309\n4.331392 -4.331392 6.092309\n4.331392 4.331392 -6.092309\nRb Co H C N\n1 1 24 14 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Co\n0.463673 0.189296 0.391491 H\n0.797805 0.072182 0.608509 H\n0.072182 0.463673 0.274376 H\n0.536327 0.810704 0.608509 H\n0.202194 0.927818 0.391491 H\n0.810704 0.202194 0.274376 H\n0.927818 0.536327 0.725623 H\n0.632585 0.292689 0.676669 H\n0.616019 0.955916 0.323331 H\n0.292689 0.616019 0.660103 H\n0.955916 0.632585 0.339897 H\n0.189296 0.797805 0.725623 H\n0.383980 0.044084 0.676669 H\n0.707311 0.383981 0.339897 H\n0.044084 0.367414 0.660103 H\n0.601932 0.437388 0.576649 H\n0.860738 0.025283 0.423351 H\n0.437388 0.860738 0.835455 H\n0.025283 0.601932 0.164545 H\n0.398068 0.562612 0.423351 H\n0.139261 -0.025283 0.576649 H\n0.367415 0.707311 0.323331 H\n0.562612 0.139262 0.164545 H\n-0.025283 0.398067 0.835455 H\n0.400012 0.703922 0.461055 C\n0.061044 0.599988 0.303910 C\n0.599988 0.296078 0.538944 C\n0.757134 0.061044 0.461055 C\n0.242866 0.938956 0.538944 C\n0.296078 0.757134 0.696090 C\n0.703922 0.242866 0.303910 C\n0.126673 0.177788 0.304460 C\n0.873327 0.822212 0.695539 C\n0.822212 0.126673 0.948885 C\n0.177788 0.873327 0.051115 C\n0.155476 0.155476 -0.000000 C\n0.844524 0.844524 -0.000000 C\n0.938956 0.400012 0.696090 C\n0.750000 0.250000 0.500000 N\n0.748340 0.748340 -0.000000 N\n0.251660 0.251660 0.000000 N\n0.286160 0.792169 0.078329 N\n0.713840 0.207830 0.921671 N\n0.207830 0.286159 0.493990 N\n0.792169 0.713840 0.506010 N\n0.250000 0.750000 0.500000 N\n","nsites":48,"nelements":5,"elements":["Rb","Co","H","C","N"],"chemical_system":"C-Co-H-N-Rb","density":1.6300471612425345,"density_atomic":0.10498913156989427,"volume":457.19018037638523,"volume_molar":5.7359658756591285,"formula_full":"Rb1 Co1 H24 C14 N8","formula_reduced":"RbCoH24(C7N4)2","formula_anonymous":"ABC8D14E24","energy_above_hull":5.151034102083334,"spacegroup":87},{"id":"jvasp-116969","created_at":"2022-09-04T14:38:47.751237Z","updated_at":"2022-09-04T14:38:47.751255Z","structure_string":"Yb3 P6 Pd20\n1.0\n7.488626 -0.000000 4.323560\n2.496209 7.060344 4.323560\n-0.000000 -0.000000 8.647120\nYb P Pd\n3 6 20\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750001 0.750000 0.750000 Yb\n0.000000 0.000000 0.000000 Yb\n0.263461 0.263460 0.736539 P\n0.736540 0.263460 0.736539 P\n0.736540 0.736539 0.263460 P\n0.263461 0.736539 0.736539 P\n0.736540 0.263460 0.263460 P\n0.263461 0.736539 0.263461 P\n0.000000 0.345329 0.654671 Pd\n0.000000 0.000000 0.654671 Pd\n0.000000 0.000000 0.345329 Pd\n0.345330 0.000000 0.654670 Pd\n0.000000 0.654670 0.000000 Pd\n0.654671 0.000000 0.345329 Pd\n0.000000 0.345329 0.000000 Pd\n0.000000 0.654670 0.345329 Pd\n0.654671 0.000000 -0.000000 Pd\n0.615771 0.152686 0.615771 Pd\n0.152686 0.615771 0.615771 Pd\n0.847315 0.384229 0.384229 Pd\n0.654671 0.345329 -0.000000 Pd\n0.615772 0.615771 0.152686 Pd\n0.384230 0.847314 0.384229 Pd\n0.384229 0.384229 0.847314 Pd\n0.615772 0.615771 0.615771 Pd\n0.384229 0.384229 0.384229 Pd\n0.345330 0.000000 -0.000000 Pd\n0.345330 0.654670 -0.000000 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0.652276 H\n0.723948 -0.003890 0.152277 H\n0.006867 0.809751 0.505296 H\n0.564547 0.422332 0.280268 H\n0.850830 0.828575 0.174970 C\n0.350828 0.828577 0.674971 C\n0.914423 0.559320 0.044425 C\n0.414425 0.559319 0.544425 C\n0.222597 0.062272 0.858606 C\n0.170583 0.759090 0.551890 C\n0.670585 0.759089 0.051890 C\n0.703160 0.626812 0.986978 C\n0.203161 0.626811 0.486977 C\n0.576619 0.628348 0.671402 C\n0.722602 0.062272 0.358607 C\n0.076617 0.628348 0.171402 C\n0.491955 0.423532 0.465709 C\n0.048595 0.761193 0.235146 C\n0.359384 0.971545 0.727514 C\n0.859392 0.971543 0.227514 C\n0.650842 0.190249 0.376300 C\n0.150836 0.190247 0.876300 C\n0.991950 0.423533 0.965709 C\n0.566468 0.368014 0.335508 C\n0.066462 0.368014 0.835507 C\n0.659698 0.238046 0.285596 C\n0.159691 0.238045 0.785596 C\n0.548593 0.761194 0.735145 C\n0.168846 0.020175 0.974519 S\n0.027513 0.311963 0.025531 S\n0.527517 0.311963 0.525531 S\n0.668849 0.020174 0.474519 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Cl\n0.716616 0.857621 0.438151 Cl\n0.283385 0.642380 0.938151 Cl\n0.269053 0.618594 0.682384 Cl\n0.812929 0.895428 0.924773 O\n0.187071 0.604574 0.424773 O\n0.187071 0.104573 0.075227 O\n0.812929 0.395428 0.575227 O\n","nsites":20,"nelements":3,"elements":["Mo","Cl","O"],"chemical_system":"Cl-Mo-O","density":3.171210458613793,"density_atomic":0.04374167599935706,"volume":457.2298510074001,"volume_molar":13.767512612201957,"formula_full":"Mo4 Cl12 O4","formula_reduced":"MoCl3O","formula_anonymous":"ABC3","energy_above_hull":1.6084963204999998,"spacegroup":14},{"id":"jvasp-95356","created_at":"2022-09-04T14:35:54.643126Z","updated_at":"2022-09-04T14:35:54.643147Z","structure_string":"Zr16 Ni8 O4\n1.0\n7.489451 -0.000000 4.324036\n2.496484 7.061121 4.324036\n0.000000 -0.000000 8.648072\nZr Ni O\n16 8 4\ndirect\n0.309364 0.940635 0.940635 Zr\n0.309365 0.309366 0.940634 Zr\n0.940634 0.309366 0.309366 Zr\n0.500000 0.000000 0.500000 Zr\n-0.000000 0.500000 0.500001 Zr\n0.500000 0.500000 0.000001 Zr\n0.500000 0.500000 0.500000 Zr\n0.940634 0.309366 0.940635 Zr\n0.309364 0.940635 0.309366 Zr\n0.059366 0.690635 0.059366 Zr\n0.059366 0.059366 0.690635 Zr\n0.690634 0.690635 0.059367 Zr\n0.690635 0.059366 0.690634 Zr\n0.690635 0.059366 0.059365 Zr\n0.059366 0.690635 0.690634 Zr\n0.940635 0.940635 0.309366 Zr\n0.652354 0.282549 0.282550 Ni\n0.282548 0.282549 0.652354 Ni\n0.717451 0.717452 0.717453 Ni\n0.282549 0.652354 0.282550 Ni\n0.347646 0.717452 0.717452 Ni\n0.717451 0.347647 0.717451 Ni\n0.282548 0.282549 0.282549 Ni\n0.717451 0.717452 0.347647 Ni\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n-0.000000 0.500000 0.000000 O\n","nsites":28,"nelements":3,"elements":["Zr","Ni","O"],"chemical_system":"Ni-O-Zr","density":7.236715976414808,"density_atomic":0.061223069147603344,"volume":457.343945506791,"volume_molar":9.836391484198804,"formula_full":"Zr16 Ni8 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0.894776 H\n0.671200 0.208701 0.526689 H\n0.328800 0.791299 0.473311 H\n0.265096 0.120445 0.686828 H\n-0.072827 0.806894 0.105225 H\n0.745966 0.128778 0.037982 H\n0.254034 0.871222 -0.037982 H\n0.574229 0.606448 0.818904 H\n0.425771 0.393552 0.181096 H\n0.734904 0.879555 0.313172 H\n0.935287 0.405065 0.166742 O\n0.500054 0.823856 0.427287 O\n0.064713 0.594935 0.833258 O\n0.353041 0.320944 0.164482 O\n0.646960 0.679056 0.835518 O\n0.369973 0.817156 0.073827 O\n0.630028 0.182844 0.926173 O\n0.605766 0.958407 0.220324 O\n0.394234 0.041593 0.779676 O\n0.499946 0.176144 0.572713 O\n0.952823 0.283519 0.826810 O\n0.753407 0.918983 0.786533 O\n0.212173 0.788072 0.506815 O\n0.787827 0.211928 0.493185 O\n0.047177 0.716481 0.173190 O\n0.903617 0.740614 0.445452 O\n0.096384 0.259386 0.554548 O\n0.226913 0.509387 0.441679 O\n0.773088 0.490613 0.558321 O\n0.441455 0.496472 0.801370 O\n0.246593 0.081017 0.213467 O\n0.558546 0.503529 0.198630 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