{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4613","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4611","results":[{"id":"jvasp-28931","created_at":"2022-09-04T14:37:38.174000Z","updated_at":"2022-09-04T14:37:38.174013Z","structure_string":"Te2 Mo1 W3 Se4 S2\n1.0\n3.344920 0.000004 -0.000045\n-1.672457 2.896778 0.000045\n-0.000505 0.000263 35.149371\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333416 0.666733 0.331471 Te\n0.333386 0.666758 0.223261 Te\n0.666737 0.333412 0.277385 Mo\n0.333259 0.666744 0.085458 W\n0.333256 0.666443 0.476189 W\n0.666756 0.333416 0.663904 W\n0.333400 0.666685 0.711528 Se\n0.666579 0.333104 0.428490 Se\n0.666606 0.333120 0.523862 Se\n0.333434 0.666798 0.616227 Se\n0.666578 0.333402 0.042098 S\n0.666578 0.333378 0.128877 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":6.253622836253596,"density_atomic":0.03523403973980101,"volume":340.57973733975734,"volume_molar":17.091825985532058,"formula_full":"Te2 Mo1 W3 Se4 S2","formula_reduced":"Te2MoW3(Se2S)2","formula_anonymous":"AB2C2D3E4","energy_above_hull":4.122125408333334,"spacegroup":156},{"id":"jvasp-40678","created_at":"2022-09-04T14:37:53.684467Z","updated_at":"2022-09-04T14:37:53.684493Z","structure_string":"Li4 Mn2 Sn2 P4 O16\n1.0\n0.000000 4.828883 -0.029022\n6.354854 0.000000 0.000000\n0.000000 -0.053279 -11.069897\nLi Mn Sn P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.564987 0.250000 0.208162 Mn\n0.435012 0.750000 0.791838 Mn\n0.026976 0.750000 0.279745 Sn\n0.973023 0.250000 0.720255 Sn\n0.413713 0.250000 0.925555 P\n0.853200 0.750000 0.606268 P\n0.146799 0.250000 0.393732 P\n0.586286 0.750000 0.074445 P\n0.288566 0.052104 0.859382 O\n0.288566 0.447896 0.859382 O\n0.708580 0.555984 0.667416 O\n0.708580 0.944015 0.667416 O\n0.168304 0.750000 0.621250 O\n0.249941 0.250000 0.526720 O\n0.750058 0.750000 0.473280 O\n0.267793 0.750000 0.076434 O\n0.291419 0.055985 0.332584 O\n0.291419 0.444015 0.332584 O\n0.711434 0.552104 0.140618 O\n0.711434 0.947895 0.140618 O\n0.732206 0.250000 0.923566 O\n0.286913 0.250000 0.054725 O\n0.831695 0.250000 0.378751 O\n0.713086 0.750000 0.945275 O\n","nsites":28,"nelements":5,"elements":["Li","Mn","Sn","P","O"],"chemical_system":"Li-Mn-O-P-Sn","density":3.690254491815016,"density_atomic":0.08242322983742711,"volume":339.71005571157116,"volume_molar":7.306363475294727,"formula_full":"Li4 Mn2 Sn2 P4 O16","formula_reduced":"Li2MnSn(PO4)2","formula_anonymous":"ABC2D2E8","energy_above_hull":2.6078341386699506,"spacegroup":11},{"id":"jvasp-31840","created_at":"2022-09-04T14:38:03.341229Z","updated_at":"2022-09-04T14:38:03.341239Z","structure_string":"Cu2 Sb4 H24 O12 F16\n1.0\n4.860533 -0.014871 0.000000\n-1.253237 6.736587 0.000000\n0.000000 0.000000 18.108916\nCu Sb H O F\n2 4 24 12 16\ndirect\n-0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.129307 0.972199 0.781556 Sb\n0.870692 0.027802 0.218444 Sb\n0.370692 0.527802 0.281556 Sb\n0.629307 0.472199 0.718444 Sb\n0.435245 0.682689 0.939217 H\n0.276498 0.156898 0.980131 H\n0.634818 0.646864 0.440518 H\n0.828962 0.158537 0.389534 H\n0.211454 0.978156 0.379609 H\n0.288545 0.521845 0.879609 H\n0.110896 0.797111 0.086993 H\n0.328962 0.658537 0.110466 H\n0.171037 0.841464 0.610466 H\n0.134819 0.146864 0.059483 H\n0.711454 0.478156 0.120391 H\n0.610896 0.297111 0.413007 H\n0.064754 0.817312 0.439217 H\n0.788545 0.021845 0.620391 H\n0.365180 0.353137 0.559483 H\n0.865180 0.853137 0.940518 H\n0.223502 0.343102 0.480131 H\n0.389103 0.702890 0.586993 H\n0.935245 0.182689 0.560783 H\n0.889103 0.202890 0.913007 H\n0.723501 0.843103 0.019869 H\n0.776497 0.656898 0.519869 H\n0.564754 0.317312 0.060783 H\n0.671037 0.341464 0.889534 H\n0.746832 0.114820 0.581662 O\n0.246832 0.614821 0.918339 O\n0.775336 0.298860 0.932175 O\n0.253167 0.885180 0.418339 O\n0.224662 0.701141 0.067825 O\n0.767753 0.732510 0.473837 O\n0.753167 0.385180 0.081662 O\n0.232246 0.267490 0.526164 O\n0.724662 0.201141 0.432175 O\n0.732246 0.767490 0.973837 O\n0.275336 0.798860 0.567825 O\n0.267753 0.232510 0.026163 O\n0.447263 0.376853 0.822776 F\n0.552735 0.623147 0.177224 F\n0.052736 0.123147 0.322776 F\n0.174923 0.254736 0.187619 F\n0.903242 0.960743 0.101453 F\n0.674922 0.754736 0.312381 F\n0.839428 0.140156 0.777936 F\n0.660571 0.359844 0.277936 F\n0.160571 0.859845 0.222064 F\n0.947263 0.876854 0.677224 F\n0.825076 0.745265 0.812381 F\n0.596756 0.539258 0.601453 F\n0.403243 0.460743 0.398547 F\n0.325077 0.245264 0.687619 F\n0.339428 0.640156 0.722065 F\n0.096756 0.039257 0.898547 F\n","nsites":58,"nelements":5,"elements":["Cu","Sb","H","O","F"],"chemical_system":"Cu-F-H-O-Sb","density":3.178367545117737,"density_atomic":0.09787211703370854,"volume":592.6100482737487,"volume_molar":6.153070907749845,"formula_full":"Cu2 Sb4 H24 O12 F16","formula_reduced":"CuSb2H12(O3F4)2","formula_anonymous":"AB2C6D8E12","energy_above_hull":2.02878503137931,"spacegroup":14},{"id":"jvasp-36728","created_at":"2022-09-04T14:37:59.817276Z","updated_at":"2022-09-04T14:37:59.817306Z","structure_string":"K2 Ba2 Si2 H2 O8\n1.0\n0.000000 5.850586 -0.003286\n8.093323 0.000000 0.000000\n0.000000 -2.888664 -5.259471\nK Ba Si H O\n2 2 2 2 8\ndirect\n0.372847 0.228962 0.701388 K\n0.627154 0.728961 0.298612 K\n0.016721 0.482768 -0.000126 Ba\n0.983281 0.982768 0.000127 Ba\n0.705056 0.246099 0.378065 Si\n0.294946 0.746099 0.621936 Si\n0.511395 0.009401 0.449690 H\n0.488607 0.509401 0.550310 H\n0.839000 0.245172 0.194283 O\n0.161002 0.745172 0.805717 O\n0.914965 0.229507 0.681296 O\n0.085037 0.729507 0.318704 O\n0.508712 0.404323 0.329673 O\n0.491290 0.904322 0.670327 O\n0.513171 0.070766 0.301185 O\n0.486831 0.570766 0.698815 O\n","nsites":16,"nelements":5,"elements":["K","Ba","Si","H","O"],"chemical_system":"Ba-H-K-O-Si","density":3.5930390609564267,"density_atomic":0.06422701343817709,"volume":249.11636309231625,"volume_molar":9.376336276007484,"formula_full":"K2 Ba2 Si2 H2 O8","formula_reduced":"KBaSiHO4","formula_anonymous":"ABCDE4","energy_above_hull":1.74918957125,"spacegroup":4},{"id":"jvasp-46659","created_at":"2022-09-04T14:37:59.436467Z","updated_at":"2022-09-04T14:37:59.436489Z","structure_string":"Li4 Cu2 Ni2 P4 O16\n1.0\n0.000000 4.706217 -0.030280\n5.937055 0.000000 0.000000\n0.000000 -0.206641 -10.036500\nLi Cu Ni P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.968689 0.250000 0.277601 Cu\n0.031312 0.750001 0.722399 Cu\n0.487165 0.750001 0.222131 Ni\n0.512836 0.250000 0.777869 Ni\n0.579343 0.750001 0.907091 P\n0.079760 0.250000 0.595057 P\n0.920241 0.750001 0.404943 P\n0.420658 0.250000 0.092909 P\n0.713708 0.959971 0.836796 O\n0.713708 0.540030 0.836796 O\n0.226834 0.454902 0.667578 O\n0.226834 0.045099 0.667578 O\n0.754674 0.250000 0.598454 O\n0.802158 0.750001 0.548693 O\n0.197843 0.250000 0.451307 O\n0.747016 0.250000 0.094917 O\n0.773167 0.954902 0.332422 O\n0.773167 0.545099 0.332422 O\n0.286293 0.459971 0.163204 O\n0.286293 0.040029 0.163204 O\n0.252985 0.750001 0.905083 O\n0.708610 0.750001 0.051098 O\n0.245327 0.750001 0.401546 O\n0.291391 0.250000 0.948902 O\n","nsites":28,"nelements":5,"elements":["Li","Cu","Ni","P","O"],"chemical_system":"Cu-Li-Ni-O-P","density":3.860995305672076,"density_atomic":0.09983324659626873,"volume":280.46768941847176,"volume_molar":6.032199658249998,"formula_full":"Li4 Cu2 Ni2 P4 O16","formula_reduced":"Li2CuNi(PO4)2","formula_anonymous":"ABC2D2E8","energy_above_hull":2.266501560714285,"spacegroup":11},{"id":"jvasp-40684","created_at":"2022-09-04T14:38:03.359373Z","updated_at":"2022-09-04T14:38:03.359383Z","structure_string":"Li4 V2 Fe2 P4 O16\n1.0\n0.000000 4.695802 -0.010845\n5.982753 0.000000 0.000000\n0.000000 -0.016414 -10.329699\nLi V Fe P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.515518 0.250000 0.221773 V\n0.484483 0.750000 0.778227 V\n0.025158 0.750000 0.276851 Fe\n0.974842 0.250000 0.723149 Fe\n0.423936 0.250000 0.909569 P\n0.917236 0.750000 0.595976 P\n0.082765 0.250000 0.404023 P\n0.576065 0.750000 0.090431 P\n0.292192 0.042319 0.838162 O\n0.292192 0.457681 0.838162 O\n0.777125 0.546595 0.668875 O\n0.777125 0.953405 0.668875 O\n0.244132 0.750000 0.599606 O\n0.205239 0.250000 0.542552 O\n0.794761 0.750000 0.457448 O\n0.250859 0.750000 0.087731 O\n0.222875 0.046595 0.331125 O\n0.222875 0.453405 0.331125 O\n0.707808 0.542319 0.161837 O\n0.707808 0.957681 0.161837 O\n0.749141 0.250000 0.912268 O\n0.289004 0.250000 0.047665 O\n0.755868 0.250000 0.400394 O\n0.710997 0.750000 0.952334 O\n","nsites":28,"nelements":5,"elements":["Li","V","Fe","P","O"],"chemical_system":"Fe-Li-O-P-V","density":3.554644127931253,"density_atomic":0.09648458233598779,"volume":290.20180553298906,"volume_molar":6.241557577592168,"formula_full":"Li4 V2 Fe2 P4 O16","formula_reduced":"Li2VFe(PO4)2","formula_anonymous":"ABC2D2E8","energy_above_hull":2.8873041928571426,"spacegroup":11},{"id":"jvasp-45746","created_at":"2022-09-04T14:37:59.374524Z","updated_at":"2022-09-04T14:37:59.374546Z","structure_string":"Na4 Sm2 P2 C2 O14\n1.0\n0.000000 5.083361 -0.034965\n7.042960 0.000000 0.000000\n0.000000 -0.066064 -9.461473\nNa Sm P C O\n4 2 2 2 14\ndirect\n0.243767 0.489047 0.202720 Na\n0.243767 0.010953 0.202720 Na\n0.756234 0.510953 0.797280 Na\n0.756234 0.989047 0.797280 Na\n0.776258 0.750000 0.387433 Sm\n0.223743 0.250000 0.612568 Sm\n0.706692 0.250000 0.406260 P\n0.293308 0.750000 0.593741 P\n0.747690 0.750000 0.089333 C\n0.252311 0.250000 0.910668 C\n0.456786 0.250000 0.823938 O\n0.156899 0.929313 0.651525 O\n0.156899 0.570687 0.651525 O\n0.731863 0.250000 0.572383 O\n0.593459 0.750000 0.623849 O\n0.406542 0.250000 0.376152 O\n0.975996 0.750000 0.152782 O\n0.843101 0.429313 0.348475 O\n0.843101 0.070687 0.348475 O\n0.543214 0.750000 0.176062 O\n0.024004 0.250000 0.847219 O\n0.279794 0.250000 0.043060 O\n0.268138 0.750000 0.427617 O\n0.720207 0.750000 0.956940 O\n","nsites":24,"nelements":5,"elements":["Na","Sm","P","C","O"],"chemical_system":"C-Na-O-P-Sm","density":3.444260049688346,"density_atomic":0.07084765096885576,"volume":338.75505640335587,"volume_molar":8.50012763676145,"formula_full":"Na4 Sm2 P2 C2 O14","formula_reduced":"Na2SmPCO7","formula_anonymous":"ABCD2E7","energy_above_hull":2.4384805729166663,"spacegroup":11},{"id":"jvasp-44371","created_at":"2022-09-04T14:38:03.573374Z","updated_at":"2022-09-04T14:38:03.573396Z","structure_string":"Li4 Mn2 B2 P2 O14\n1.0\n0.000000 5.030195 0.043028\n6.167006 0.000000 0.000000\n0.000000 -0.538745 -8.526293\nLi Mn B P O\n4 2 2 2 14\ndirect\n0.764927 0.483204 0.199093 Li\n0.764927 0.016796 0.199093 Li\n0.235073 0.516797 0.800906 Li\n0.235073 0.983204 0.800906 Li\n0.211104 0.250000 0.331905 Mn\n0.788896 0.750001 0.668094 Mn\n0.265860 0.250000 0.057228 B\n0.734140 0.750001 0.942772 B\n0.274368 0.750001 0.428047 P\n0.725632 0.250000 0.571953 P\n0.530474 0.750001 0.817546 O\n0.813029 0.054970 0.676081 O\n0.813029 0.445030 0.676081 O\n0.138358 0.750001 0.583987 O\n0.419823 0.250000 0.531121 O\n0.580177 0.750001 0.468878 O\n0.022422 0.250000 0.131243 O\n0.186971 0.554970 0.323918 O\n0.186971 0.945031 0.323918 O\n0.469526 0.250000 0.182454 O\n0.977578 0.750001 0.868756 O\n0.701626 0.750001 0.094123 O\n0.861642 0.250000 0.416012 O\n0.298374 0.250000 0.905876 O\n","nsites":24,"nelements":5,"elements":["Li","Mn","B","P","O"],"chemical_system":"B-Li-Mn-O-P","density":2.7965384097604113,"density_atomic":0.09078761200400695,"volume":264.3532467727067,"volume_molar":6.633218593451065,"formula_full":"Li4 Mn2 B2 P2 O14","formula_reduced":"Li2MnBPO7","formula_anonymous":"ABCD2E7","energy_above_hull":2.8578999853927205,"spacegroup":11},{"id":"jvasp-28815","created_at":"2022-09-04T14:38:03.686343Z","updated_at":"2022-09-04T14:38:03.686353Z","structure_string":"Te2 Mo2 W2 Se4 S2\n1.0\n3.348133 0.000000 0.000000\n-1.674066 2.899327 0.000027\n0.000000 0.000343 35.942013\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.666548 0.333097 0.418119 Te\n0.666665 0.333330 0.524497 Te\n0.333523 0.667046 0.094857 Mo\n0.666722 0.333446 0.277774 Mo\n0.333246 0.666495 0.471285 W\n0.666495 0.332994 0.658977 W\n0.333342 0.666686 0.324157 Se\n0.666956 0.333913 0.048538 Se\n0.666793 0.333587 0.141232 Se\n0.333395 0.666793 0.231403 Se\n0.333116 0.666237 0.701353 S\n0.333188 0.666379 0.616554 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.6861271682245995,"density_atomic":0.03439370388101975,"volume":348.90106751841375,"volume_molar":17.509427832584596,"formula_full":"Te2 Mo2 W2 Se4 S2","formula_reduced":"TeMoWSe2S","formula_anonymous":"ABCDE2","energy_above_hull":3.529981733333334,"spacegroup":156},{"id":"jvasp-25619","created_at":"2022-09-04T14:37:39.943762Z","updated_at":"2022-09-04T14:37:39.943793Z","structure_string":"K2 Sn2 S2 O8 F2\n1.0\n6.045359 -0.007108 0.036065\n-2.379128 6.711920 0.004350\n-1.512703 -2.812699 6.398006\nK Sn S O F\n2 2 2 8 2\ndirect\n0.690080 0.338738 0.130603 K\n0.309921 0.661262 0.869399 K\n0.877854 0.945924 0.707507 Sn\n0.122146 0.054076 0.292495 Sn\n0.672517 0.357275 0.656633 S\n0.327484 0.642725 0.343368 S\n0.522335 0.645391 0.249513 O\n0.477666 0.354609 0.750489 O\n0.182760 0.423810 0.335821 O\n0.146647 0.706139 0.230838 O\n0.553711 0.198767 0.431606 O\n0.446290 0.801233 0.568396 O\n0.817241 0.576190 0.664181 O\n0.853353 0.293861 0.769164 O\n0.233168 0.025319 0.024098 F\n0.766832 0.974681 0.975904 F\n","nsites":16,"nelements":5,"elements":["K","Sn","S","O","F"],"chemical_system":"F-K-O-S-Sn","density":3.4830699578230577,"density_atomic":0.06149621763738624,"volume":260.1786030865238,"volume_molar":9.792701065795107,"formula_full":"K2 Sn2 S2 O8 F2","formula_reduced":"KSnSO4F","formula_anonymous":"ABCDE4","energy_above_hull":1.3479642478125,"spacegroup":2},{"id":"jvasp-46838","created_at":"2022-09-04T14:37:58.155538Z","updated_at":"2022-09-04T14:37:58.155564Z","structure_string":"Na4 Y2 P2 C2 O14\n1.0\n0.000000 5.035295 0.014878\n6.970678 0.000000 0.000000\n0.000000 -0.132283 -9.401152\nNa Y P C O\n4 2 2 2 14\ndirect\n0.233183 0.488265 0.208812 Na\n0.233183 0.011735 0.208812 Na\n0.766818 0.511735 0.791188 Na\n0.766818 0.988266 0.791188 Na\n0.771019 0.750000 0.373819 Y\n0.228983 0.250000 0.626180 Y\n0.694528 0.250000 0.411954 P\n0.305473 0.750000 0.588046 P\n0.730312 0.750000 0.082074 C\n0.269689 0.250000 0.917926 C\n0.472772 0.250000 0.830675 O\n0.187288 0.932035 0.654804 O\n0.187288 0.567965 0.654804 O\n0.756197 0.250000 0.576665 O\n0.614212 0.750000 0.603211 O\n0.385789 0.250000 0.396788 O\n0.962722 0.750000 0.146788 O\n0.812713 0.432035 0.345195 O\n0.812713 0.067965 0.345195 O\n0.527230 0.750000 0.169325 O\n0.037279 0.250000 0.853211 O\n0.299846 0.250000 0.051117 O\n0.243805 0.750000 0.423334 O\n0.700155 0.750000 0.948883 O\n","nsites":24,"nelements":5,"elements":["Na","Y","P","C","O"],"chemical_system":"C-Na-O-P-Y","density":2.9175135931060296,"density_atomic":0.07273581053440256,"volume":329.9612642475262,"volume_molar":8.279471577692325,"formula_full":"Na4 Y2 P2 C2 O14","formula_reduced":"Na2YPCO7","formula_anonymous":"ABCD2E7","energy_above_hull":2.576633620833333,"spacegroup":11},{"id":"jvasp-110283","created_at":"2022-09-04T14:37:54.231842Z","updated_at":"2022-09-04T14:37:54.231864Z","structure_string":"Ba1 La1 Ti1 Cu1 O6\n1.0\n4.850076 -0.000000 2.800193\n1.616692 4.572695 2.800193\n-0.000000 -0.000000 5.600385\nBa La Ti Cu O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500001 0.500000 La\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750001 0.750000 Cu\n0.003178 0.496822 0.496822 O\n0.496822 0.003179 0.003178 O\n0.003178 0.496822 0.003178 O\n0.496822 0.003179 0.496821 O\n0.496822 0.496822 0.003178 O\n0.003179 0.003179 0.496822 O\n","nsites":10,"nelements":5,"elements":["Ba","La","Ti","Cu","O"],"chemical_system":"Ba-Cu-La-O-Ti","density":6.465979548976182,"density_atomic":0.0805121339239557,"volume":124.20488083752782,"volume_molar":7.479792754826192,"formula_full":"Ba1 La1 Ti1 Cu1 O6","formula_reduced":"BaLaTiCuO6","formula_anonymous":"ABCDE6","energy_above_hull":2.067060075333333,"spacegroup":216}]}