{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4638","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4636","results":[{"id":"jvasp-26766","created_at":"2022-09-04T14:38:28.742849Z","updated_at":"2022-09-04T14:38:28.742876Z","structure_string":"Er12 Si4 Se8 O40 F4\n1.0\n5.853451 0.000000 0.000000\n0.000000 10.285168 0.000000\n0.000000 0.000000 15.393582\nEr Si Se O F\n12 4 8 40 4\ndirect\n0.928074 0.886561 0.652729 Er\n0.250000 0.125963 0.000000 Er\n0.571926 0.886561 0.347271 Er\n0.928074 0.613439 0.847271 Er\n0.750000 0.874037 0.000000 Er\n0.571926 0.613439 0.152729 Er\n0.071926 0.386561 0.152729 Er\n0.428074 0.113439 0.652729 Er\n0.750000 0.625963 0.500000 Er\n0.250000 0.374037 0.500000 Er\n0.071926 0.113439 0.347271 Er\n0.428074 0.386561 0.847271 Er\n0.750000 0.357346 0.000000 Si\n0.250000 0.857346 0.500000 Si\n0.750000 0.142654 0.500000 Si\n0.250000 0.642654 0.000000 Si\n0.035377 0.616302 0.324778 Se\n0.464623 0.883698 0.824778 Se\n0.535377 0.383698 0.324778 Se\n0.464623 0.616302 0.675222 Se\n0.964622 0.383698 0.675222 Se\n0.964622 0.116302 0.824778 Se\n0.035377 0.883698 0.175222 Se\n0.535377 0.116302 0.175222 Se\n0.321646 0.281199 0.361106 O\n0.769940 0.446669 0.911048 O\n0.269940 0.553331 0.911048 O\n0.321646 0.218801 0.138894 O\n0.521322 0.273607 0.972308 O\n0.178354 0.281199 0.638894 O\n0.479314 0.513500 0.586397 O\n0.021322 0.726393 0.972308 O\n0.821646 0.718801 0.361106 O\n0.678354 0.781199 0.861106 O\n0.520686 0.486500 0.413603 O\n0.269940 0.946669 0.588952 O\n0.120459 0.032984 0.745181 O\n0.678354 0.718801 0.638894 O\n0.020686 0.513500 0.413603 O\n0.978678 0.273607 0.027691 O\n0.620459 0.967016 0.745181 O\n0.521322 0.226393 0.527691 O\n0.620459 0.532984 0.754819 O\n0.379541 0.467016 0.245181 O\n0.978678 0.226393 0.472308 O\n0.230060 0.946669 0.411048 O\n0.479314 0.986500 0.913603 O\n0.979314 0.013500 0.913603 O\n0.230060 0.553331 0.088952 O\n0.021322 0.773607 0.527691 O\n0.379541 0.032984 0.254819 O\n0.730060 0.446669 0.088952 O\n0.020686 0.986500 0.086397 O\n0.120459 0.467016 0.754819 O\n0.478678 0.726393 0.027691 O\n0.730060 0.053331 0.411048 O\n0.478678 0.773607 0.472308 O\n0.879540 0.967016 0.254819 O\n0.520686 0.013500 0.086397 O\n0.821646 0.781199 0.138894 O\n0.979314 0.486500 0.586397 O\n0.178354 0.218801 0.861106 O\n0.879540 0.532984 0.245181 O\n0.769940 0.053331 0.588952 O\n0.436771 0.750000 0.250000 F\n0.936771 0.250000 0.250000 F\n0.563229 0.250000 0.750000 F\n0.063229 0.750000 0.750000 F\n","nsites":68,"nelements":5,"elements":["Er","Si","Se","O","F"],"chemical_system":"Er-F-O-Se-Si","density":6.212299001091217,"density_atomic":0.07337461679428368,"volume":926.7510069680882,"volume_molar":8.207389725637599,"formula_full":"Er12 Si4 Se8 O40 F4","formula_reduced":"Er3SiSe2O10F","formula_anonymous":"ABC2D3E10","energy_above_hull":2.338732977401961,"spacegroup":52},{"id":"jvasp-99343","created_at":"2022-09-04T14:36:49.591805Z","updated_at":"2022-09-04T14:36:49.591822Z","structure_string":"Na6 Y2 H24 C6 O30\n1.0\n11.271902 -0.000000 0.000000\n-5.635951 9.761753 -0.000000\n0.000000 0.000000 5.835772\nNa Y H C O\n6 2 24 6 30\ndirect\n0.628704 0.638131 0.182521 Na\n0.009427 0.371296 0.182521 Na\n0.361868 -0.009427 0.182521 Na\n0.371296 0.361868 0.682521 Na\n0.638131 0.009427 0.682521 Na\n-0.009427 0.628704 0.682521 Na\n0.333333 0.666667 0.915196 Y\n0.666667 0.333333 0.415196 Y\n-0.023187 0.856996 0.429859 H\n0.023187 0.143003 0.929859 H\n0.775027 0.878537 0.532999 H\n0.504916 0.776091 0.358143 H\n0.495084 0.223909 0.858143 H\n0.121462 0.896489 0.532999 H\n0.880183 0.023187 0.429859 H\n0.728824 0.504916 0.858143 H\n0.776091 0.271175 0.858143 H\n0.878537 0.103510 0.032999 H\n0.224973 0.121462 0.032999 H\n0.856996 0.880183 0.929859 H\n0.143004 0.119817 0.429859 H\n0.896489 0.775027 0.032999 H\n0.271175 0.495084 0.358143 H\n0.223909 0.728824 0.358143 H\n0.413899 0.122809 0.646014 H\n0.586101 0.877190 0.146014 H\n0.708910 0.586101 0.646014 H\n0.291090 0.413899 0.146014 H\n0.103510 0.224973 0.532999 H\n0.119817 -0.023187 0.929859 H\n0.122809 0.708910 0.146014 H\n0.877191 0.291090 0.646014 H\n0.682121 0.116801 0.184292 C\n0.434680 0.317879 0.184292 C\n0.317879 0.883199 0.684292 C\n0.565320 0.682121 0.684292 C\n0.116801 0.434680 0.684292 C\n0.883199 0.565320 0.184292 C\n0.179090 0.021053 0.062011 O\n0.021053 0.841963 0.562011 O\n0.158037 0.179090 0.562011 O\n0.779715 0.267738 0.686459 O\n0.083929 0.493823 0.841294 O\n0.506177 0.590106 0.841294 O\n0.486487 0.238278 0.143007 O\n0.220285 0.732262 0.186459 O\n0.302027 0.972125 0.570901 O\n0.751791 0.513512 0.143007 O\n0.238278 0.751791 0.643007 O\n0.820910 0.978947 0.562011 O\n0.841963 0.820910 0.062011 O\n0.409893 0.916070 0.841294 O\n0.027875 0.329901 0.570901 O\n0.697973 0.027875 0.070901 O\n0.732262 0.511976 0.686459 O\n0.761721 0.248209 0.143007 O\n0.972125 0.670098 0.070901 O\n0.978947 0.158037 0.062011 O\n0.488023 0.220285 0.686459 O\n0.590106 0.083929 0.341294 O\n0.513512 0.761721 0.643007 O\n0.511976 0.779714 0.186459 O\n0.493823 0.409893 0.341294 O\n0.916070 0.506177 0.341294 O\n0.267738 0.488023 0.186459 O\n0.670098 0.697973 0.570901 O\n0.248209 0.486487 0.643007 O\n0.329901 0.302027 0.070901 O\n","nsites":68,"nelements":5,"elements":["Na","Y","H","C","O"],"chemical_system":"C-H-Na-O-Y","density":2.306663929782445,"density_atomic":0.1058974683961114,"volume":642.1305535430249,"volume_molar":5.686765558430608,"formula_full":"Na6 Y2 H24 C6 O30","formula_reduced":"Na3YH12(CO5)3","formula_anonymous":"AB3C3D12E15","energy_above_hull":3.219055733823529,"spacegroup":173},{"id":"jvasp-91233","created_at":"2022-09-04T14:35:57.541754Z","updated_at":"2022-09-04T14:35:57.541780Z","structure_string":"Al8 Pb12 F48\n1.0\n9.513828 0.000000 -0.092295\n0.000000 9.616656 0.000000\n0.006872 0.000000 10.076075\nAl Pb F\n8 12 48\ndirect\n0.688557 0.639385 0.418117 Al\n0.311443 0.360615 0.581884 Al\n0.188557 0.860615 0.918117 Al\n0.811443 0.139385 0.081884 Al\n0.317588 0.650512 0.371529 Al\n0.182412 0.150512 0.128471 Al\n0.682412 0.349488 0.628472 Al\n0.817588 0.849488 0.871529 Al\n0.789336 0.003635 0.496232 Pb\n0.984135 0.379562 0.331358 Pb\n0.210664 0.996366 0.503769 Pb\n0.710665 0.503635 0.003769 Pb\n0.015865 0.620439 0.668643 Pb\n0.484135 0.120439 0.831358 Pb\n0.514447 0.281614 0.285582 Pb\n0.515865 0.879562 0.168643 Pb\n0.485553 0.718387 0.714419 Pb\n0.014447 0.218386 0.785582 Pb\n0.289335 0.496365 0.996232 Pb\n0.985554 0.781614 0.214419 Pb\n0.710840 0.174604 0.694462 F\n0.789161 0.674604 0.805540 F\n0.503157 0.704948 0.407230 F\n0.996843 0.204947 0.092771 F\n0.496843 0.295053 0.592771 F\n0.003157 0.795053 0.907230 F\n0.365854 0.482751 0.450645 F\n0.865854 0.017249 0.950645 F\n0.134146 0.982751 0.049356 F\n0.154635 0.982607 0.788290 F\n0.845365 0.017393 0.211711 F\n0.737092 0.773241 0.301237 F\n0.634146 0.517250 0.549356 F\n0.345364 0.482607 0.711711 F\n0.438115 0.965869 0.655479 F\n0.770451 0.784754 0.034925 F\n0.061884 0.465869 0.844522 F\n0.561885 0.034132 0.344522 F\n0.938116 0.534132 0.155479 F\n0.503515 0.360241 0.053078 F\n0.996486 0.860241 0.446923 F\n0.496485 0.639759 0.946923 F\n0.003514 0.139759 0.553078 F\n0.707394 0.764938 0.551587 F\n0.792606 0.264938 0.948414 F\n0.292606 0.235062 0.448413 F\n0.207394 0.735062 0.051587 F\n0.870224 0.582302 0.437618 F\n0.629777 0.082302 0.062383 F\n0.129776 0.417698 0.562383 F\n0.289161 0.825396 0.305539 F\n0.370223 0.917698 0.937618 F\n0.762908 0.273240 0.198764 F\n0.237092 0.726760 0.801237 F\n0.262908 0.226760 0.698764 F\n0.122168 0.084331 0.284453 F\n0.377832 0.584331 0.215548 F\n0.877832 0.915669 0.715548 F\n0.622168 0.415669 0.784453 F\n0.360502 0.096496 0.161562 F\n0.139498 0.596496 0.338439 F\n0.639498 0.903504 0.838439 F\n0.860502 0.403504 0.661562 F\n0.270451 0.715247 0.534925 F\n0.229549 0.215247 0.965076 F\n0.729549 0.284753 0.465076 F\n0.654636 0.517393 0.288290 F\n0.210839 0.325396 0.194461 F\n","nsites":68,"nelements":3,"elements":["Al","Pb","F"],"chemical_system":"Al-F-Pb","density":6.510055829464261,"density_atomic":0.07376243946218318,"volume":921.8784044535635,"volume_molar":8.164237522387603,"formula_full":"Al8 Pb12 F48","formula_reduced":"Al2Pb3F12","formula_anonymous":"A2B3C12","energy_above_hull":0.0,"spacegroup":14},{"id":"jvasp-97668","created_at":"2022-09-04T14:36:04.979486Z","updated_at":"2022-09-04T14:36:04.979510Z","structure_string":"Li2 H40 C16 Br2 O8\n1.0\n6.312638 3.890178 -0.578819\n-6.312638 3.890178 0.578819\n0.226929 0.000000 11.929482\nLi H C Br O\n2 40 16 2 8\ndirect\n0.934295 0.934294 0.750000 Li\n0.065706 0.065706 0.250000 Li\n0.877130 0.365015 0.415386 H\n0.365015 0.877130 0.084614 H\n0.183163 0.898765 0.575135 H\n0.898765 0.183163 0.924865 H\n0.816837 0.101236 0.424865 H\n0.101236 0.816837 0.075135 H\n0.227042 0.787981 0.873623 H\n0.787981 0.227042 0.626377 H\n0.772959 0.212019 0.126377 H\n0.372492 0.923912 0.755692 H\n0.923912 0.372492 0.744307 H\n0.627509 0.076089 0.244308 H\n0.076089 0.627509 0.255692 H\n0.282374 0.653476 0.771250 H\n0.653476 0.282374 0.728750 H\n0.717627 0.346524 0.228750 H\n0.346524 0.717627 0.271250 H\n0.634986 0.122870 0.915386 H\n0.122870 0.634986 0.584614 H\n0.212019 0.772958 0.373623 H\n0.430403 0.234867 0.527397 H\n0.234868 0.430403 0.972603 H\n0.864469 0.701757 0.463699 H\n0.701757 0.864469 0.036300 H\n0.135532 0.298243 0.536300 H\n0.298244 0.135532 0.963699 H\n0.757715 0.540331 0.585078 H\n0.540331 0.757714 0.914921 H\n0.459669 0.242286 0.085078 H\n0.556719 0.892706 0.593438 H\n0.242286 0.459669 0.414921 H\n0.569598 0.765133 0.472603 H\n0.443282 0.107294 0.406562 H\n0.107294 0.443282 0.093438 H\n0.495386 0.629930 0.606275 H\n0.629930 0.495386 0.893725 H\n0.504614 0.370070 0.393725 H\n0.370070 0.504614 0.106275 H\n0.892706 0.556719 0.906562 H\n0.765133 0.569598 0.027397 H\n0.926321 0.252089 0.393866 C\n0.252089 0.926321 0.106134 C\n0.248963 0.780466 0.784279 C\n0.219535 0.751038 0.284279 C\n0.751038 0.219535 0.215720 C\n0.747912 0.073680 0.893866 C\n0.780466 0.248963 0.715720 C\n0.073680 0.747912 0.606134 C\n0.134919 0.306276 0.443688 C\n0.407793 0.223948 0.435451 C\n0.776052 0.592207 0.935451 C\n0.592207 0.776052 0.564549 C\n0.306276 0.134919 0.056312 C\n0.693725 0.865082 0.943687 C\n0.865082 0.693725 0.556312 C\n0.223948 0.407793 0.064549 C\n0.729231 0.729231 0.250000 Br\n0.270770 0.270770 0.750000 Br\n0.937654 0.251086 0.274053 O\n0.801558 0.835094 0.595670 O\n0.835094 0.801558 0.904330 O\n0.198443 0.164907 0.404330 O\n0.164907 0.198443 0.095670 O\n0.062346 0.748914 0.725947 O\n0.748915 0.062346 0.774053 O\n0.251086 0.937654 0.225947 O\n","nsites":68,"nelements":5,"elements":["Li","H","C","Br","O"],"chemical_system":"Br-C-H-Li-O","density":1.51127347133743,"density_atomic":0.11585642638142672,"volume":586.9333460720421,"volume_molar":5.1979341570347515,"formula_full":"Li2 H40 C16 Br2 O8","formula_reduced":"LiH20C8BrO4","formula_anonymous":"ABC4D8E20","energy_above_hull":4.16607847367647,"spacegroup":15},{"id":"jvasp-98547","created_at":"2022-09-04T14:36:07.990406Z","updated_at":"2022-09-04T14:36:07.990419Z","structure_string":"Tl8 Cr12 O48\n1.0\n8.803193 -0.000000 0.000000\n-0.000000 8.710918 0.000000\n0.000000 0.000000 13.010389\nTl Cr O\n8 12 48\ndirect\n0.603284 0.247912 0.906931 Tl\n0.603284 0.747912 0.593069 Tl\n0.103284 0.752088 0.906931 Tl\n0.896716 0.747912 0.406931 Tl\n0.103284 0.252088 0.593069 Tl\n0.396716 0.252088 0.406931 Tl\n0.896716 0.247912 0.093069 Tl\n0.396716 0.752088 0.093069 Tl\n0.750000 0.113793 0.500000 Cr\n0.250000 0.386207 0.000000 Cr\n0.750000 0.613793 0.000000 Cr\n0.974812 0.119819 0.832631 Cr\n0.474812 0.380181 0.667369 Cr\n0.250000 0.886207 0.500000 Cr\n0.025187 0.380181 0.332631 Cr\n0.025187 0.880181 0.167369 Cr\n0.525187 0.619819 0.332631 Cr\n0.474812 0.880181 0.832631 Cr\n0.974812 0.619819 0.667369 Cr\n0.525187 0.119819 0.167369 Cr\n0.628885 0.516745 0.260153 O\n0.416084 0.737463 0.262558 O\n0.916084 0.762537 0.237442 O\n0.083916 0.737463 0.737442 O\n0.583916 0.762537 0.762558 O\n0.583916 0.262537 0.737442 O\n0.416084 0.237463 0.237442 O\n0.916084 0.262537 0.262558 O\n0.354193 0.772616 0.575622 O\n0.854193 0.727384 0.924378 O\n0.145807 0.772616 0.424378 O\n0.128885 0.983256 0.239847 O\n0.083916 0.237463 0.762558 O\n0.854193 0.227384 0.575622 O\n0.638004 0.505919 0.928154 O\n0.371114 0.483256 0.739847 O\n0.138004 -0.005919 0.571846 O\n0.861996 0.505919 0.071846 O\n0.361996 -0.005919 0.428154 O\n0.361996 0.494081 0.071846 O\n0.861996 0.005919 0.428154 O\n0.138004 0.494081 0.928154 O\n0.638004 0.005919 0.571846 O\n0.411060 0.010258 0.096572 O\n0.911060 0.489742 0.403428 O\n0.088939 0.010258 0.903428 O\n0.588939 0.489742 0.596572 O\n0.588939 0.989743 0.903428 O\n0.088939 0.510258 0.596572 O\n0.911060 0.989743 0.096572 O\n0.371114 0.983256 0.760153 O\n0.411060 0.510258 0.403428 O\n0.354193 0.272616 0.924378 O\n0.145807 0.272616 0.075622 O\n0.645807 0.227384 0.424378 O\n0.639476 0.727182 0.415637 O\n0.139476 0.772818 0.084363 O\n0.860524 0.727182 0.584363 O\n0.360524 0.772818 0.915637 O\n0.360524 0.272818 0.584363 O\n0.860524 0.227182 0.915637 O\n0.139476 0.272818 0.415637 O\n0.639476 0.227182 0.084363 O\n0.628885 0.016744 0.239847 O\n0.128885 0.483256 0.260153 O\n0.871114 0.016744 0.760153 O\n0.645807 0.727384 0.075622 O\n0.871114 0.516745 0.739847 O\n","nsites":68,"nelements":3,"elements":["Tl","Cr","O"],"chemical_system":"Cr-O-Tl","density":5.038088217149439,"density_atomic":0.06815763021978875,"volume":997.6872696530023,"volume_molar":8.835607606338908,"formula_full":"Tl8 Cr12 O48","formula_reduced":"Tl2Cr3O12","formula_anonymous":"A2B3C12","energy_above_hull":3.007415847058823,"spacegroup":60},{"id":"jvasp-101997","created_at":"2022-09-04T14:36:54.216193Z","updated_at":"2022-09-04T14:36:54.216202Z","structure_string":"H40 C20 O8\n1.0\n4.940750 0.000000 -0.666456\n0.000000 9.564304 0.000000\n0.135147 0.000000 11.504071\nH C O\n40 20 8\ndirect\n0.678070 0.873366 0.096868 H\n0.585060 0.174916 0.744423 H\n0.414941 0.825084 0.255577 H\n0.166596 0.539807 0.723723 H\n0.833405 0.460193 0.276277 H\n0.833405 0.039807 0.776277 H\n0.166596 0.960193 0.223723 H\n0.653703 0.447863 0.739996 H\n0.346298 0.552136 0.260004 H\n0.346298 0.947863 0.760004 H\n0.653702 0.052137 0.239996 H\n0.456570 0.368727 0.840669 H\n0.543431 0.868727 0.659331 H\n0.456570 0.131272 0.340669 H\n0.696000 0.500651 0.889726 H\n0.304000 0.499349 0.110274 H\n0.304001 0.000651 0.610274 H\n0.696000 -0.000651 0.389726 H\n0.585060 0.325084 0.244423 H\n0.414941 0.674916 0.755577 H\n0.543430 0.631272 0.159331 H\n0.117929 0.144522 0.454276 H\n0.882072 0.855477 0.545723 H\n0.321930 0.126633 0.903131 H\n0.321930 0.373367 0.403131 H\n0.678071 0.626633 0.596868 H\n0.543420 0.823183 0.951866 H\n0.456581 0.323184 0.548133 H\n0.543420 0.676816 0.451866 H\n0.794021 0.955356 0.973151 H\n0.456580 0.176816 0.048133 H\n0.205980 0.455356 0.526849 H\n0.794021 0.544643 0.473151 H\n0.128843 0.773997 0.069052 H\n0.871158 0.226002 0.930947 H\n0.871158 0.273998 0.430947 H\n0.128843 0.726002 0.569052 H\n0.882071 0.644522 0.045723 H\n0.205980 0.044644 0.026849 H\n0.117929 0.355478 0.954276 H\n0.332088 0.577765 0.788072 C\n0.667912 0.422235 0.211928 C\n0.667913 0.077765 0.711928 C\n0.453019 0.967727 0.683357 C\n0.546982 0.467728 0.816642 C\n0.453019 0.532272 0.183357 C\n0.034219 0.785296 0.391059 C\n0.546981 0.032272 0.316642 C\n0.332088 0.922235 0.288072 C\n0.965782 0.214704 0.608941 C\n0.947143 0.744085 0.009680 C\n0.034219 0.714704 0.891059 C\n0.947144 0.755914 0.509680 C\n0.052857 0.244086 0.490320 C\n0.052857 0.255914 0.990320 C\n0.728065 0.644597 0.507554 C\n0.271936 0.355402 0.492445 C\n0.271936 0.144597 0.992445 C\n0.728065 0.855402 0.007554 C\n0.965781 0.285296 0.108941 C\n0.780027 0.388904 0.103381 O\n0.219973 0.611095 0.896618 O\n0.953138 0.723895 0.300055 O\n0.780028 0.111096 0.603381 O\n0.046862 0.223896 0.199945 O\n0.953139 0.776104 0.800055 O\n0.046862 0.276104 0.699945 O\n0.219973 0.888904 0.396618 O\n","nsites":68,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.2459028666982577,"density_atomic":0.12488878718882983,"volume":544.4844291520351,"volume_molar":4.822002755855593,"formula_full":"H40 C20 O8","formula_reduced":"H10C5O2","formula_anonymous":"A2B5C10","energy_above_hull":4.453373352941177,"spacegroup":14},{"id":"jvasp-97011","created_at":"2022-09-04T14:36:21.237413Z","updated_at":"2022-09-04T14:36:21.237439Z","structure_string":"Na12 Al4 P12 N4 O36\n1.0\n9.311966 -0.000000 0.000000\n-0.000000 9.311966 0.000000\n0.000000 0.000000 9.311966\nNa Al P N O\n12 4 12 4 36\ndirect\n0.762894 0.737107 0.262894 Na\n0.737107 0.262894 0.762894 Na\n0.262894 0.762894 0.737107 Na\n0.237106 0.237106 0.237106 Na\n0.141956 0.358044 0.641956 Na\n0.358044 0.641956 0.141956 Na\n0.641956 0.141956 0.358044 Na\n0.451902 0.451902 0.451902 Na\n0.858044 0.858044 0.858044 Na\n0.048098 0.548098 0.951902 Na\n0.951902 0.048098 0.548098 Na\n0.548098 0.951902 0.048098 Na\n0.168833 0.831167 0.331167 Al\n0.668834 0.668834 0.668834 Al\n0.831167 0.331167 0.168833 Al\n0.331167 0.168833 0.831167 Al\n0.328375 0.079994 0.508821 P\n0.008821 0.171625 0.920007 P\n0.920007 0.008821 0.171625 P\n0.991179 0.671625 0.579994 P\n0.491179 0.828375 0.420007 P\n0.579994 0.991179 0.671625 P\n0.828375 0.420007 0.491179 P\n0.671625 0.579994 0.991179 P\n0.420007 0.491179 0.828375 P\n0.079994 0.508821 0.328375 P\n0.171625 0.920007 0.008821 P\n0.508821 0.328375 0.079994 P\n0.942548 0.557453 0.442548 N\n0.557453 0.442548 0.942548 N\n0.442548 0.942548 0.557453 N\n0.057452 0.057452 0.057452 N\n0.983798 0.902755 0.281686 O\n0.148564 0.249203 0.878827 O\n0.378826 0.351437 0.750798 O\n0.121174 0.648564 0.250798 O\n0.648564 0.250798 0.121174 O\n0.250798 0.121174 0.648564 O\n0.940234 0.086570 0.800176 O\n0.059767 0.586570 0.699825 O\n0.300175 0.559767 0.913430 O\n0.559767 0.913430 0.300175 O\n0.699825 0.059767 0.586570 O\n0.913430 0.300175 0.559767 O\n0.586570 0.699825 0.059767 O\n0.351437 0.750798 0.378826 O\n0.800176 0.940234 0.086570 O\n0.902755 0.281686 0.983798 O\n0.851437 0.749203 0.621174 O\n0.621174 0.851437 0.749203 O\n0.097245 0.781686 0.516203 O\n0.597245 0.718314 0.483798 O\n0.516203 0.097245 0.781686 O\n0.483798 0.597245 0.718314 O\n0.781686 0.516203 0.097245 O\n0.281686 0.983798 0.902755 O\n0.413430 0.199825 0.440234 O\n0.086570 0.800176 0.940234 O\n0.440234 0.413430 0.199825 O\n0.878827 0.148564 0.249203 O\n0.016203 0.402755 0.218314 O\n0.402755 0.218314 0.016203 O\n0.218314 0.016203 0.402755 O\n0.249203 0.878827 0.148564 O\n0.749203 0.621174 0.851437 O\n0.750798 0.378826 0.351437 O\n0.199825 0.440234 0.413430 O\n0.718314 0.483798 0.597245 O\n","nsites":68,"nelements":5,"elements":["Na","Al","P","N","O"],"chemical_system":"Al-N-Na-O-P","density":2.853356143718147,"density_atomic":0.08421409150770363,"volume":807.465814599206,"volume_molar":7.150989403536003,"formula_full":"Na12 Al4 P12 N4 O36","formula_reduced":"Na3AlP3NO9","formula_anonymous":"ABC3D3E9","energy_above_hull":2.4651188852941166,"spacegroup":198},{"id":"jvasp-112194","created_at":"2022-09-04T14:38:44.152619Z","updated_at":"2022-09-04T14:38:44.152646Z","structure_string":"H28 C42\n1.0\n6.701431 -0.022408 -1.823377\n-0.924837 8.273341 -0.190036\n-0.012935 -0.170394 11.760911\nH C\n28 42\ndirect\n0.361665 0.054531 0.932132 H\n0.890842 0.140972 0.915095 H\n0.109157 0.859028 0.084904 H\n0.211571 0.129391 0.064261 H\n0.788428 0.870609 0.935738 H\n0.702379 0.698263 0.748284 H\n0.068807 0.492362 0.287225 H\n0.931192 0.507638 0.712775 H\n0.582173 0.422551 0.322458 H\n0.417826 0.577449 0.677541 H\n0.687890 0.522926 0.533353 H\n0.312109 0.477074 0.466646 H\n0.933665 0.772391 0.597725 H\n0.066333 0.227609 0.402274 H\n0.297619 0.301737 0.251715 H\n0.930718 0.083724 0.551394 H\n0.069280 0.916276 0.448605 H\n0.638334 0.945469 0.067868 H\n0.270247 0.818605 0.786009 H\n0.395328 0.822718 0.605790 H\n0.604670 0.177282 0.394209 H\n0.729752 0.181395 0.213991 H\n0.381791 0.936712 0.423484 H\n0.705470 0.299724 0.721875 H\n0.294529 0.700277 0.278124 H\n0.038308 0.184986 0.761416 H\n0.961691 0.815014 0.238584 H\n0.618208 0.063288 0.576515 H\n0.312370 0.468172 0.649515 C\n0.710258 0.537991 0.141906 C\n0.687629 0.531828 0.350484 C\n0.601956 0.330359 0.930100 C\n0.398043 0.669641 0.069900 C\n0.471950 0.446242 0.945435 C\n0.528048 0.553758 0.054564 C\n0.289741 0.462009 0.858093 C\n0.154996 0.565880 0.881093 C\n0.892265 0.787555 0.921427 C\n0.969102 0.581271 0.795545 C\n0.030897 0.418729 0.204455 C\n0.841788 0.687528 0.814960 C\n0.158210 0.312473 0.185039 C\n0.107734 0.212445 0.078572 C\n0.070704 0.780235 0.004466 C\n0.929295 0.219765 0.995533 C\n0.747576 0.588748 0.469128 C\n0.845002 0.434120 0.118906 C\n0.252422 0.411252 0.530871 C\n0.437018 0.925673 0.671018 C\n0.115007 0.272354 0.494834 C\n0.538919 0.194098 0.836635 C\n0.461079 0.805903 0.163364 C\n0.418043 0.056509 0.854039 C\n0.581956 0.943491 0.145961 C\n0.366333 0.923479 0.771641 C\n0.633665 0.076521 0.228359 C\n0.208840 0.670252 0.988523 C\n0.562981 0.074327 0.328981 C\n0.884991 0.727646 0.505166 C\n0.560470 0.060946 0.653966 C\n0.610675 0.193885 0.735996 C\n0.389323 0.806115 0.264003 C\n0.238073 0.387196 0.734330 C\n0.761926 0.612804 0.265669 C\n0.098775 0.248915 0.696919 C\n0.901224 0.751085 0.303080 C\n0.038410 0.191915 0.578531 C\n0.961588 0.808085 0.421468 C\n0.439528 0.939054 0.346033 C\n0.791158 0.329748 0.011477 C\n","nsites":70,"nelements":2,"elements":["H","C"],"chemical_system":"C-H","density":1.3584635530489,"density_atomic":0.10750713620824724,"volume":651.1195672109259,"volume_molar":5.601619550477823,"formula_full":"H28 C42","formula_reduced":"H2C3","formula_anonymous":"A2B3","energy_above_hull":4.960606,"spacegroup":2},{"id":"jvasp-97463","created_at":"2022-09-04T14:35:49.353140Z","updated_at":"2022-09-04T14:35:49.353165Z","structure_string":"Ca8 P16 O48\n1.0\n7.005128 0.000000 -0.044522\n0.000000 7.722588 0.000000\n0.008751 0.000000 16.960319\nCa P O\n8 16 48\ndirect\n0.524966 0.890944 0.895831 Ca\n0.980632 0.130903 0.172559 Ca\n0.019369 0.630903 0.327441 Ca\n0.019369 0.869097 0.827441 Ca\n0.475035 0.390944 0.604169 Ca\n0.524966 0.609056 0.395831 Ca\n0.475035 0.109056 0.104169 Ca\n0.980632 0.369097 0.672559 Ca\n0.858862 0.297774 0.464177 P\n0.141138 0.797774 0.035823 P\n0.858862 0.202227 0.964177 P\n0.371148 -0.004733 0.305025 P\n0.628852 0.004733 0.694975 P\n0.371148 0.504734 0.805025 P\n0.141138 0.702227 0.535823 P\n0.217715 0.504570 0.143925 P\n0.782285 0.004570 0.356075 P\n0.268273 0.280969 0.412359 P\n0.731727 0.780969 0.087641 P\n0.731727 0.719031 0.587641 P\n0.628852 0.495267 0.194975 P\n0.782285 0.495430 0.856075 P\n0.217715 0.995431 0.643925 P\n0.268273 0.219031 0.912359 P\n0.341984 0.695617 0.816356 O\n0.407696 0.550698 0.191637 O\n0.701862 0.584350 0.114500 O\n0.298138 0.415651 0.885500 O\n0.298360 0.078760 0.231383 O\n0.701640 0.578760 0.268617 O\n0.701640 0.921240 0.768617 O\n0.298360 0.421240 0.731383 O\n0.341984 0.804384 0.316356 O\n0.658016 0.304383 0.183644 O\n0.658016 0.195617 0.683644 O\n0.701862 0.915651 0.614500 O\n0.572496 0.835997 0.032973 O\n0.196147 0.823621 0.951567 O\n0.055665 0.565052 0.193728 O\n0.055665 0.934948 0.693728 O\n0.944335 0.434948 0.806272 O\n0.820337 0.059200 0.906026 O\n0.179663 0.559200 0.593975 O\n0.179663 0.940800 0.093975 O\n0.944335 0.065052 0.306272 O\n0.820337 0.440800 0.406026 O\n0.758882 0.599231 0.656950 O\n0.758882 0.900769 0.156950 O\n0.241118 0.400769 0.343051 O\n0.572495 0.664004 0.532973 O\n0.427505 0.164004 0.967027 O\n0.427505 0.335997 0.467027 O\n0.241118 0.099231 0.843051 O\n0.196147 0.676379 0.451567 O\n0.592304 0.449302 0.808363 O\n0.917709 0.754402 0.035462 O\n0.803853 0.323621 0.548434 O\n0.082291 0.245599 0.964538 O\n0.917709 0.745599 0.535462 O\n0.298138 0.084349 0.385500 O\n0.082291 0.254401 0.464538 O\n0.764872 0.117625 0.435749 O\n0.407696 0.949302 0.691637 O\n0.235128 0.617625 0.064251 O\n0.764872 0.382375 0.935749 O\n0.778614 0.818234 0.381563 O\n0.221387 0.318233 0.118437 O\n0.221387 0.181767 0.618437 O\n0.778614 0.681767 0.881563 O\n0.592304 0.050698 0.308363 O\n0.235128 0.882375 0.564251 O\n0.803853 0.176379 0.048434 O\n","nsites":72,"nelements":3,"elements":["Ca","P","O"],"chemical_system":"Ca-O-P","density":2.8670679011925264,"density_atomic":0.07847261310259411,"volume":917.5175536192238,"volume_molar":7.6741942467580735,"formula_full":"Ca8 P16 O48","formula_reduced":"Ca(PO3)2","formula_anonymous":"AB2C6","energy_above_hull":2.3341336022222223,"spacegroup":14},{"id":"jvasp-99313","created_at":"2022-09-04T14:36:31.863129Z","updated_at":"2022-09-04T14:36:31.863150Z","structure_string":"Na4 Er4 P16 O48\n1.0\n7.167550 -0.002679 0.000000\n-0.118782 9.630544 0.000000\n0.000000 0.000000 12.984137\nNa Er P O\n4 4 16 48\ndirect\n0.499929 0.060918 0.779228 Na\n-0.000071 0.560918 0.720773 Na\n0.500071 0.939081 0.220773 Na\n0.000071 0.439081 0.279227 Na\n0.986136 0.023594 0.216146 Er\n0.513864 0.476406 0.716146 Er\n0.013864 0.976406 0.783854 Er\n0.486136 0.523594 0.283854 Er\n0.150123 0.305422 0.870075 P\n0.650123 0.805421 0.629925 P\n0.849878 0.694578 0.129925 P\n0.375266 0.761628 0.884800 P\n0.749443 0.246356 0.896448 P\n0.750557 0.253644 0.396448 P\n0.730806 0.800663 0.408700 P\n0.250557 0.753643 0.103552 P\n0.124735 0.738372 0.384800 P\n0.230806 0.300663 0.091300 P\n0.269195 0.199337 0.591300 P\n0.769195 0.699337 0.908701 P\n0.249443 0.746356 0.603552 P\n0.624735 0.238372 0.115200 P\n0.875266 0.261628 0.615201 P\n0.349877 0.194578 0.370075 P\n0.413282 0.205532 0.079892 O\n0.433243 0.294398 0.609398 O\n0.727123 0.893276 0.715469 O\n0.272878 0.106723 0.284532 O\n0.129332 0.854202 0.308571 O\n0.370668 0.645798 0.808571 O\n0.870668 0.145798 0.691430 O\n0.629332 0.354202 0.191430 O\n0.913282 0.705532 0.420108 O\n0.586718 0.794467 0.920108 O\n0.086718 0.294468 0.579892 O\n0.227123 0.393277 0.784532 O\n0.205315 0.602505 0.352801 O\n0.930668 0.339119 0.870853 O\n0.787153 0.093273 0.891861 O\n0.287154 0.593273 0.608140 O\n0.212847 0.906726 0.108140 O\n0.909351 0.202315 0.330996 O\n0.590649 0.297685 0.830996 O\n0.090649 0.797685 0.669004 O\n0.712847 0.406727 0.391861 O\n0.409351 0.702315 0.169004 O\n0.236880 0.082420 0.665486 O\n0.736880 0.582420 0.834514 O\n0.763121 0.917579 0.334514 O\n0.705315 0.102505 0.147199 O\n0.794685 0.397494 0.647199 O\n0.294685 0.897494 0.852801 O\n0.263120 0.417580 0.165486 O\n0.430668 0.839119 0.629148 O\n0.566757 0.705601 0.390602 O\n0.933243 0.794398 0.890602 O\n0.569332 0.160880 0.370853 O\n0.216688 0.797992 0.487646 O\n0.283313 0.702007 0.987646 O\n0.783313 0.202008 0.512354 O\n0.716687 0.297992 0.012354 O\n0.780918 0.629866 0.021988 O\n0.772878 0.606723 0.215469 O\n0.719082 0.870133 0.521988 O\n0.280918 0.129866 0.478013 O\n0.323698 0.348306 0.368941 O\n0.176303 0.151693 0.868942 O\n0.676303 0.651693 0.631059 O\n0.823698 0.848306 0.131059 O\n0.066757 0.205602 0.109398 O\n0.219082 0.370134 0.978013 O\n0.069332 0.660880 0.129147 O\n","nsites":72,"nelements":4,"elements":["Na","Er","P","O"],"chemical_system":"Er-Na-O-P","density":3.7509753389052602,"density_atomic":0.0803340862656353,"volume":896.2571599049805,"volume_molar":7.4963705195911405,"formula_full":"Na4 Er4 P16 O48","formula_reduced":"NaEr(PO3)4","formula_anonymous":"ABC4D12","energy_above_hull":2.755947388888889,"spacegroup":14},{"id":"jvasp-91458","created_at":"2022-09-04T14:36:31.029438Z","updated_at":"2022-09-04T14:36:31.029465Z","structure_string":"Si24 O48\n1.0\n10.789791 -0.000000 0.000000\n0.000000 10.789791 0.000000\n0.000000 0.000000 10.789791\nSi O\n24 48\ndirect\n0.250000 0.136761 0.363239 Si\n0.636761 0.250000 0.136761 Si\n0.250000 0.863239 0.363239 Si\n0.363239 0.750000 0.136761 Si\n0.863239 0.636761 0.750000 Si\n0.750000 0.863239 0.636761 Si\n0.750000 0.136761 0.363239 Si\n0.636761 0.750000 0.136761 Si\n0.250000 0.863239 0.636761 Si\n0.136761 0.636761 0.250000 Si\n0.750000 0.136761 0.636761 Si\n0.750000 0.863239 0.363239 Si\n0.636761 0.750000 0.863239 Si\n0.136761 0.636761 0.750000 Si\n0.863239 0.363239 0.750000 Si\n0.363239 0.250000 0.136761 Si\n0.636761 0.250000 0.863239 Si\n0.363239 0.250000 0.863239 Si\n0.136761 0.363239 0.250000 Si\n0.250000 0.136761 0.636761 Si\n0.363239 0.750000 0.863239 Si\n0.863239 0.363239 0.250000 Si\n0.136761 0.363239 0.750000 Si\n0.863239 0.636761 0.250000 Si\n0.000000 0.647524 0.184446 O\n0.315554 0.852476 0.500000 O\n0.750000 0.649970 0.149970 O\n0.149970 0.750000 0.649970 O\n0.647524 0.184446 0.000000 O\n0.750000 0.350029 0.850030 O\n0.147524 0.500000 0.684446 O\n0.684446 0.147524 0.500000 O\n0.647524 0.815554 0.000000 O\n0.149970 0.250000 0.350029 O\n0.649970 0.850030 0.750000 O\n0.250000 0.649970 0.149970 O\n0.149970 0.750000 0.350029 O\n0.750000 0.649970 0.850030 O\n0.184446 0.000000 0.647524 O\n0.250000 0.350029 0.850030 O\n0.815554 0.000000 0.647524 O\n0.852476 0.500000 0.684446 O\n0.147524 0.500000 0.315554 O\n0.149970 0.250000 0.649970 O\n0.500000 0.684446 0.147524 O\n0.815554 0.000000 0.352476 O\n0.684446 0.852476 0.500000 O\n0.350029 0.850030 0.250000 O\n0.850030 0.250000 0.649970 O\n0.350029 0.149970 0.750000 O\n0.850030 0.750000 0.350029 O\n0.649970 0.149970 0.750000 O\n0.500000 0.315554 0.147524 O\n0.350029 0.149970 0.250000 O\n0.000000 0.352476 0.815554 O\n0.000000 0.647524 0.815554 O\n0.500000 0.684446 0.852476 O\n0.750000 0.350029 0.149970 O\n0.649970 0.149970 0.250000 O\n0.350029 0.850030 0.750000 O\n0.850030 0.250000 0.350029 O\n0.184446 0.000000 0.352476 O\n0.352476 0.815554 0.000000 O\n0.250000 0.649970 0.850030 O\n0.315554 0.147524 0.500000 O\n0.000000 0.352476 0.184446 O\n0.649970 0.850030 0.250000 O\n0.852476 0.500000 0.315554 O\n0.352476 0.184446 0.000000 O\n0.500000 0.315554 0.852476 O\n0.850030 0.750000 0.649970 O\n0.250000 0.350029 0.149970 O\n","nsites":72,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":1.9062604954382496,"density_atomic":0.057318312933946,"volume":1256.1430425032445,"volume_molar":10.506486412012778,"formula_full":"Si24 O48","formula_reduced":"SiO2","formula_anonymous":"AB2","energy_above_hull":1.4189518666666672,"spacegroup":223},{"id":"jvasp-98154","created_at":"2022-09-04T14:36:14.590521Z","updated_at":"2022-09-04T14:36:14.590548Z","structure_string":"B12 H24 N12 Cl24\n1.0\n10.245741 0.000000 0.000000\n0.000000 11.946005 0.000000\n0.000000 0.000000 8.105349\nB H N Cl\n12 24 12 24\ndirect\n0.537388 0.250000 0.795275 B\n0.667864 0.364700 0.036461 B\n0.832136 0.635300 0.536461 B\n0.332136 0.864700 0.963539 B\n0.832136 0.864700 0.536461 B\n0.332136 0.635300 0.963539 B\n0.167864 0.135300 0.463539 B\n0.667864 0.135300 0.036461 B\n0.962612 0.750000 0.295275 B\n0.462612 0.750000 0.204725 B\n0.037388 0.250000 0.704725 B\n0.167864 0.364700 0.463539 B\n0.809476 0.630355 0.275549 H\n0.554117 0.426404 0.836696 H\n0.945883 0.573596 0.336696 H\n0.445883 0.926404 0.163304 H\n0.945883 0.926404 0.336696 H\n0.445883 0.573596 0.163304 H\n0.054117 0.426404 0.663304 H\n0.554117 0.073596 0.836696 H\n0.190524 0.130355 0.724452 H\n0.690524 0.369646 0.775549 H\n0.309476 0.869646 0.224451 H\n0.054117 0.073596 0.663304 H\n0.309476 0.630355 0.224451 H\n0.809476 0.869646 0.275549 H\n0.828297 0.250000 0.026600 H\n0.328297 0.250000 0.473400 H\n0.671703 0.750000 0.526600 H\n0.756275 0.250000 0.206215 H\n0.171703 0.750000 0.973400 H\n0.243725 0.750000 0.793785 H\n0.743725 0.750000 0.706215 H\n0.690524 0.130355 0.775549 H\n0.190524 0.369646 0.724452 H\n0.256275 0.250000 0.293785 H\n0.887084 0.856900 0.355101 N\n0.612916 0.356900 0.855101 N\n0.887084 0.643101 0.355101 N\n0.387084 0.856900 0.144899 N\n0.387084 0.643101 0.144899 N\n0.112916 0.143101 0.644899 N\n0.612916 0.143101 0.855101 N\n0.763473 0.750000 0.581502 N\n0.263473 0.750000 0.918499 N\n0.236527 0.250000 0.418499 N\n0.736527 0.250000 0.081501 N\n0.112916 0.356900 0.644899 N\n0.707036 0.522688 0.535823 Cl\n0.792964 0.477313 0.035823 Cl\n0.292964 0.022688 0.464177 Cl\n0.368030 0.250000 0.874072 Cl\n0.631969 0.750000 0.125929 Cl\n0.207036 0.977313 0.964178 Cl\n0.131970 0.750000 0.374071 Cl\n0.538496 0.250000 0.565008 Cl\n0.038496 0.250000 0.934992 Cl\n0.868030 0.250000 0.625929 Cl\n0.707036 0.977313 0.535823 Cl\n0.792964 0.022688 0.035823 Cl\n0.292964 0.477313 0.464177 Cl\n0.035609 0.105286 0.315159 Cl\n0.535609 0.394714 0.184841 Cl\n0.964391 0.605287 0.684841 Cl\n0.464391 0.894714 0.815159 Cl\n0.964391 0.894714 0.684841 Cl\n0.464391 0.605287 0.815159 Cl\n0.035609 0.394714 0.315159 Cl\n0.535609 0.105286 0.184841 Cl\n0.461504 0.750000 0.434992 Cl\n0.207036 0.522688 0.964178 Cl\n0.961504 0.750000 0.065008 Cl\n","nsites":72,"nelements":4,"elements":["B","H","N","Cl"],"chemical_system":"B-Cl-H-N","density":1.9631931368587001,"density_atomic":0.07257628125667011,"volume":992.059647495136,"volume_molar":8.297670610460681,"formula_full":"B12 H24 N12 Cl24","formula_reduced":"BH2NCl2","formula_anonymous":"ABC2D2","energy_above_hull":2.628647328055555,"spacegroup":62}]}