{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=4402","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=4400","results":[{"id":"jvasp-32171","created_at":"2022-09-04T14:38:17.314617Z","updated_at":"2022-09-04T14:38:17.314650Z","structure_string":"As4 Cl8 F12\n1.0\n6.238171 -0.000000 -0.000000\n-0.000000 8.584088 -0.000000\n-0.000000 0.000000 8.584088\nAs Cl F\n4 8 12\ndirect\n0.000000 0.750000 0.250000 As\n0.321497 0.250000 0.250000 As\n0.678503 0.750000 0.750000 As\n0.000000 0.250000 0.750000 As\n0.199093 0.703389 0.058227 Cl\n0.199093 0.058227 0.796611 Cl\n0.800907 0.203389 0.558227 Cl\n0.800907 0.941773 0.203389 Cl\n0.800907 0.558227 0.296611 Cl\n0.800907 0.296611 0.941773 Cl\n0.199093 0.796611 0.441773 Cl\n0.199093 0.441773 0.703389 Cl\n0.392688 0.750000 0.750000 F\n0.040001 0.250000 0.250000 F\n0.324146 0.326526 0.057356 F\n0.324146 0.173474 0.442644 F\n0.324146 0.442644 0.326526 F\n0.675854 0.942644 0.826526 F\n0.675854 0.673474 0.942644 F\n0.675854 0.826526 0.557356 F\n0.675854 0.557356 0.673474 F\n0.607312 0.250000 0.250000 F\n0.959999 0.750000 0.750000 F\n0.324146 0.057356 0.173474 F\n","nsites":24,"nelements":3,"elements":["As","Cl","F"],"chemical_system":"As-Cl-F","density":2.9307602026248465,"density_atomic":0.05221143671637281,"volume":459.6694040498204,"volume_molar":11.534141059388883,"formula_full":"As4 Cl8 F12","formula_reduced":"AsCl2F3","formula_anonymous":"AB2C3","energy_above_hull":0.1433462839062502,"spacegroup":85},{"id":"jvasp-55665","created_at":"2022-09-04T14:38:06.587436Z","updated_at":"2022-09-04T14:38:06.587464Z","structure_string":"As4 Cl8 F12\n1.0\n8.584784 -0.000000 0.000000\n0.000000 8.584784 -0.000000\n-0.000000 -0.000000 6.238052\nAs Cl F\n4 8 12\ndirect\n-0.000000 0.500000 0.678456 As\n0.500000 0.000000 0.321544 As\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.000000 As\n0.046434 0.808212 0.199114 Cl\n0.808212 0.953566 0.800885 Cl\n0.453566 0.691788 0.800885 Cl\n0.308212 0.453566 0.199114 Cl\n0.191788 0.046434 0.800885 Cl\n0.691788 0.546433 0.199114 Cl\n0.953566 0.191788 0.199114 Cl\n0.546433 0.308212 0.800885 Cl\n-0.000000 0.500000 0.959956 F\n-0.000000 0.500000 0.392628 F\n0.500000 0.000000 0.607371 F\n0.923719 0.307280 0.675780 F\n0.807280 0.576280 0.675780 F\n0.192719 0.423719 0.675780 F\n0.076280 0.692719 0.675780 F\n0.576280 0.192719 0.324219 F\n0.692719 0.923719 0.324219 F\n0.307280 0.076280 0.324219 F\n0.500000 0.000000 0.040043 F\n0.423719 0.807280 0.324219 F\n","nsites":24,"nelements":3,"elements":["As","Cl","F"],"chemical_system":"As-Cl-F","density":2.9303409063684636,"density_atomic":0.052203966961619094,"volume":459.7351771685292,"volume_molar":11.53579145513509,"formula_full":"As4 Cl8 F12","formula_reduced":"AsCl2F3","formula_anonymous":"AB2C3","energy_above_hull":0.1433462839062502,"spacegroup":85},{"id":"jvasp-62152","created_at":"2022-09-04T14:35:56.970066Z","updated_at":"2022-09-04T14:35:56.970092Z","structure_string":"Ti6 Al16 Pd7\n1.0\n0.000000 6.126596 6.126596\n6.126596 0.000000 6.126596\n6.126596 6.126596 -0.000000\nTi Al Pd\n6 16 7\ndirect\n0.671373 0.328628 0.671373 Ti\n0.671373 0.328628 0.328628 Ti\n0.328628 0.671373 0.671373 Ti\n0.328628 0.328628 0.671373 Ti\n0.671373 0.671373 0.328628 Ti\n0.328628 0.671373 0.328628 Ti\n0.019654 0.660116 0.660116 Al\n0.660116 0.019654 0.660116 Al\n0.660116 0.660116 0.660116 Al\n0.980347 0.339884 0.339884 Al\n0.120355 0.638934 0.120355 Al\n0.339884 0.339884 0.339884 Al\n0.120355 0.120355 0.120355 Al\n0.120355 0.120355 0.638934 Al\n0.638934 0.120355 0.120355 Al\n0.879645 0.879645 0.879645 Al\n0.339884 0.339884 0.980347 Al\n0.660116 0.660116 0.019654 Al\n0.879645 0.361066 0.879645 Al\n0.879645 0.879645 0.361066 Al\n0.361066 0.879645 0.879645 Al\n0.339884 0.980347 0.339884 Al\n0.000000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n","nsites":29,"nelements":3,"elements":["Ti","Al","Pd"],"chemical_system":"Al-Pd-Ti","density":5.285145479923565,"density_atomic":0.06305365601284144,"volume":459.92574949331873,"volume_molar":9.55081931930091,"formula_full":"Ti6 Al16 Pd7","formula_reduced":"Ti6Al16Pd7","formula_anonymous":"A6B7C16","energy_above_hull":2.7100943,"spacegroup":225},{"id":"jvasp-116624","created_at":"2022-09-04T14:38:43.916414Z","updated_at":"2022-09-04T14:38:43.916446Z","structure_string":"Er10 Ge4 Sb4\n1.0\n8.438319 0.010583 0.000000\n-4.810483 6.932863 0.000000\n-0.000000 -0.000000 7.857602\nEr Ge Sb\n10 4 4\ndirect\n0.035299 0.287948 0.338750 Er\n0.500000 0.500000 0.500000 Er\n0.287948 0.035299 0.338750 Er\n0.712052 0.964700 0.661250 Er\n0.212052 0.464701 0.838750 Er\n0.000000 0.000000 0.000000 Er\n0.787948 0.535298 0.161250 Er\n0.464701 0.212051 0.838750 Er\n0.964701 0.712051 0.661250 Er\n0.535299 0.787948 0.161250 Er\n0.357163 0.357163 0.141769 Ge\n0.642837 0.642836 0.858230 Ge\n0.142837 0.142837 0.641769 Ge\n0.857163 0.857162 0.358230 Ge\n0.704556 0.295444 0.500000 Sb\n0.795444 0.204555 -0.000000 Sb\n0.204556 0.795444 -0.000000 Sb\n0.295444 0.704555 0.500000 Sb\n","nsites":18,"nelements":3,"elements":["Er","Ge","Sb"],"chemical_system":"Er-Ge-Sb","density":8.843262331803432,"density_atomic":0.03912336063922961,"volume":460.08317552227646,"volume_molar":15.392698023905197,"formula_full":"Er10 Ge4 Sb4","formula_reduced":"Er5(GeSb)2","formula_anonymous":"A2B2C5","energy_above_hull":1.4217493444444445,"spacegroup":64},{"id":"jvasp-95520","created_at":"2022-09-04T14:36:08.141162Z","updated_at":"2022-09-04T14:36:08.141181Z","structure_string":"Er3 P6 Pd20\n1.0\n7.504834 -0.000000 4.332918\n2.501612 7.075625 4.332918\n-0.000000 -0.000000 8.665834\nEr P Pd\n3 6 20\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.749999 0.750000 Er\n0.250000 0.250000 0.250000 Er\n0.736357 0.736357 0.263643 P\n0.736357 0.263642 0.263643 P\n0.263642 0.736357 0.263643 P\n0.736357 0.263642 0.736358 P\n0.263642 0.263642 0.736358 P\n0.263642 0.736357 0.736358 P\n0.000000 0.000000 0.654825 Pd\n0.000000 0.654825 0.000000 Pd\n0.383362 0.849914 0.383363 Pd\n0.616637 0.616637 0.616638 Pd\n0.383362 0.383362 0.383363 Pd\n0.654825 0.000000 0.345175 Pd\n0.150086 0.616637 0.616638 Pd\n0.000000 0.345175 0.000000 Pd\n0.345175 0.654825 0.000001 Pd\n0.616637 0.150086 0.616638 Pd\n0.616637 0.616637 0.150087 Pd\n0.849914 0.383362 0.383363 Pd\n0.383362 0.383362 0.849914 Pd\n0.345175 0.000000 0.654825 Pd\n0.654825 0.000000 0.000000 Pd\n0.000000 0.654825 0.345175 Pd\n0.654825 0.345175 0.000001 Pd\n0.000000 0.000000 0.345175 Pd\n0.000000 0.345175 0.654825 Pd\n0.345175 0.000000 0.000000 Pd\n","nsites":29,"nelements":3,"elements":["Er","P","Pd"],"chemical_system":"Er-P-Pd","density":10.161749916421195,"density_atomic":0.06302048397790332,"volume":460.16784019253464,"volume_molar":9.555846575395273,"formula_full":"Er3 P6 Pd20","formula_reduced":"Er3(P3Pd10)2","formula_anonymous":"A3B6C20","energy_above_hull":2.424326448275862,"spacegroup":225},{"id":"jvasp-62267","created_at":"2022-09-04T14:35:54.677720Z","updated_at":"2022-09-04T14:35:54.677739Z","structure_string":"Tl4 Zn4 As4 O16\n1.0\n0.000000 9.023057 0.027936\n5.683180 0.000000 0.000000\n0.000000 -0.155789 -8.974342\nTl Zn As O\n4 4 4 16\ndirect\n0.997813 0.988821 0.183690 Tl\n0.002187 0.488821 0.816310 Tl\n0.502305 0.003831 0.326000 Tl\n0.497695 0.503831 0.673999 Tl\n0.178385 0.004755 0.598404 Zn\n0.821616 0.504755 0.401596 Zn\n0.671578 0.963409 0.925167 Zn\n0.328423 0.463409 0.074832 Zn\n0.690250 0.466485 0.065635 As\n0.309750 0.966485 0.934365 As\n0.186634 0.502415 0.399805 As\n0.813366 0.002415 0.600194 As\n0.779896 0.298866 0.571912 O\n0.220104 0.798866 0.428088 O\n0.788647 0.244168 0.981798 O\n0.211353 0.744168 0.018201 O\n0.676070 0.894449 0.712347 O\n0.323930 0.394449 0.287652 O\n0.198048 0.349752 0.566025 O\n0.982770 0.964140 0.688982 O\n0.787434 0.722966 0.038822 O\n0.212566 0.222966 0.961177 O\n0.520380 0.495038 0.974626 O\n0.479621 0.995038 0.025374 O\n0.668259 0.409205 0.252213 O\n0.017230 0.464140 0.311017 O\n0.801952 0.849752 0.433974 O\n0.331741 0.909205 0.747786 O\n","nsites":28,"nelements":4,"elements":["Tl","Zn","As","O"],"chemical_system":"As-O-Tl-Zn","density":5.899314647918037,"density_atomic":0.060846225874972015,"volume":460.17644640005994,"volume_molar":9.897311909491986,"formula_full":"Tl4 Zn4 As4 O16","formula_reduced":"TlZnAsO4","formula_anonymous":"ABCD4","energy_above_hull":1.3932498214285718,"spacegroup":4},{"id":"jvasp-54793","created_at":"2022-09-04T14:38:16.259558Z","updated_at":"2022-09-04T14:38:16.259580Z","structure_string":"Sr2 Ce2 I8\n1.0\n7.376894 -0.001695 -0.000186\n-1.632882 8.419344 -0.006846\n-2.870303 -4.202032 7.413128\nSr Ce I\n2 2 8\ndirect\n0.385647 0.135645 0.271325 Sr\n0.614353 0.864354 0.728674 Sr\n0.749817 0.499810 -0.000382 Ce\n0.250182 0.500189 0.000381 Ce\n0.991756 0.258383 0.126121 I\n0.207417 0.800719 0.356230 I\n0.648741 0.555444 0.356201 I\n0.351259 0.444556 0.643798 I\n0.365696 0.132313 0.873909 I\n0.792583 0.199280 0.643770 I\n0.634304 0.867687 0.126090 I\n0.008243 0.741617 0.873878 I\n","nsites":12,"nelements":3,"elements":["Sr","Ce","I"],"chemical_system":"Ce-I-Sr","density":5.3069774533229825,"density_atomic":0.026076722607435054,"volume":460.1805288437027,"volume_molar":23.093932664233478,"formula_full":"Sr2 Ce2 I8","formula_reduced":"SrCeI4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":15},{"id":"jvasp-98542","created_at":"2022-09-04T14:36:04.378933Z","updated_at":"2022-09-04T14:36:04.378948Z","structure_string":"Li8 B16 O28\n1.0\n7.836370 -0.015906 -3.129801\n-4.235905 6.965283 -2.178658\n-0.009673 0.015906 8.438262\nLi B O\n8 16 28\ndirect\n0.686508 0.681563 0.696745 Li\n0.515183 0.446745 0.260237 Li\n0.313493 0.010238 0.995055 Li\n0.484818 0.745055 -0.068437 Li\n-0.015182 0.181563 0.495055 Li\n0.015183 0.510237 0.196745 Li\n0.186508 -0.053255 0.431563 Li\n0.813493 0.245055 0.760238 Li\n0.757591 0.616707 0.038331 B\n0.742409 0.109117 0.030740 B\n0.078378 0.609118 0.866708 B\n-0.078377 0.788331 0.530740 B\n0.668132 0.885133 0.441406 B\n0.421623 0.780740 0.538331 B\n0.443728 0.385134 0.717003 B\n0.168132 0.691406 0.635134 B\n0.056273 0.191406 0.023275 B\n0.257591 0.288331 0.366708 B\n-0.056272 -0.032997 0.135134 B\n0.242410 0.280741 0.859118 B\n0.556273 0.273275 0.941406 B\n0.831869 0.467002 0.523275 B\n0.578377 0.116708 0.359118 B\n0.331869 0.773275 0.217003 B\n0.575728 0.120908 -0.019317 O\n-0.000000 -0.003336 -0.003336 O\n0.359776 0.730683 0.654955 O\n0.500000 0.246664 0.746664 O\n0.787156 0.624004 0.520261 O\n0.896256 0.233104 0.020260 O\n0.075729 0.230684 0.870908 O\n0.603744 0.586848 0.874004 O\n0.424272 0.404955 0.545180 O\n0.255730 0.339825 0.724611 O\n0.744270 0.468881 0.084095 O\n0.115214 0.834095 0.589825 O\n0.140225 0.620908 0.045180 O\n0.755729 -0.025389 0.089825 O\n0.244271 0.334095 0.218881 O\n0.712844 0.086848 0.483105 O\n0.384787 0.968881 0.224611 O\n-0.140224 0.904955 0.480684 O\n0.924272 0.795179 0.154955 O\n0.500000 0.746663 0.246664 O\n0.615214 0.839825 0.584095 O\n0.640225 0.295179 0.370908 O\n0.884787 0.474611 0.718881 O\n0.103744 0.124004 0.336848 O\n0.000001 0.496664 0.496664 O\n0.396257 0.270261 0.983105 O\n0.212845 0.733105 0.836848 O\n0.287156 0.770260 0.374004 O\n","nsites":52,"nelements":3,"elements":["Li","B","O"],"chemical_system":"B-Li-O","density":2.440520210017942,"density_atomic":0.1129736267510243,"volume":460.28441765970416,"volume_molar":5.330572216887247,"formula_full":"Li8 B16 O28","formula_reduced":"Li2B4O7","formula_anonymous":"A2B4C7","energy_above_hull":3.218084987179487,"spacegroup":110},{"id":"jvasp-5392","created_at":"2022-09-04T14:38:15.763168Z","updated_at":"2022-09-04T14:38:15.763196Z","structure_string":"Nb4 Cl12 O4\n1.0\n10.922691 0.000000 0.000000\n0.000000 10.922691 0.000000\n0.000000 0.000000 3.860050\nNb Cl O\n4 12 4\ndirect\n0.871567 0.871567 0.000000 Nb\n0.371567 0.628433 0.500000 Nb\n0.628433 0.371567 0.500000 Nb\n0.128433 0.128433 0.000000 Nb\n0.661842 0.891305 0.000000 Cl\n0.338158 0.108695 0.000000 Cl\n0.608695 0.161842 0.500000 Cl\n0.391305 0.838158 0.500000 Cl\n0.891305 0.661842 0.000000 Cl\n0.161842 0.608695 0.500000 Cl\n0.838158 0.391305 0.500000 Cl\n0.108695 0.338158 0.000000 Cl\n0.107272 0.892728 0.000000 Cl\n0.392728 0.392728 0.500000 Cl\n0.607272 0.607272 0.500000 Cl\n0.892728 0.107272 0.000000 Cl\n0.386047 0.613953 0.000000 O\n0.113953 0.113953 0.500000 O\n0.886047 0.886047 0.500000 O\n0.613953 0.386047 0.000000 O\n","nsites":20,"nelements":3,"elements":["Nb","Cl","O"],"chemical_system":"Cl-Nb-O","density":3.1047729265398702,"density_atomic":0.043428794059858875,"volume":460.5239549694508,"volume_molar":13.866700400889671,"formula_full":"Nb4 Cl12 O4","formula_reduced":"NbCl3O","formula_anonymous":"ABC3","energy_above_hull":1.4094150204999998,"spacegroup":136},{"id":"jvasp-98840","created_at":"2022-09-04T14:36:05.452629Z","updated_at":"2022-09-04T14:36:05.452654Z","structure_string":"Zr16 Cu8\n1.0\n7.506850 -0.000000 4.334082\n2.502284 7.077526 4.334082\n-0.000000 -0.000000 8.668163\nZr Cu\n16 8\ndirect\n0.940281 0.940283 0.309717 Zr\n0.500000 0.500000 -0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n-0.000000 0.500000 0.500000 Zr\n0.059717 0.690283 0.059718 Zr\n0.309717 0.940283 0.940282 Zr\n0.059717 0.690283 0.690282 Zr\n0.309717 0.940283 0.309717 Zr\n0.690282 0.059718 0.059718 Zr\n0.309718 0.309718 0.940282 Zr\n0.940282 0.309718 0.940282 Zr\n0.059718 0.059718 0.690282 Zr\n0.690282 0.059718 0.690282 Zr\n0.690282 0.690283 0.059718 Zr\n0.940282 0.309718 0.309717 Zr\n0.500000 0.500000 0.500000 Zr\n0.709407 0.371779 0.709407 Cu\n0.709407 0.709408 0.371778 Cu\n0.371778 0.709408 0.709407 Cu\n0.290593 0.290593 0.290593 Cu\n0.290593 0.290593 0.628221 Cu\n0.628221 0.290593 0.290592 Cu\n0.290592 0.628222 0.290592 Cu\n0.709407 0.709408 0.709407 Cu\n","nsites":24,"nelements":2,"elements":["Zr","Cu"],"chemical_system":"Cu-Zr","density":7.09573386016996,"density_atomic":0.05211286630918894,"volume":460.53885920621747,"volume_molar":11.555957648290265,"formula_full":"Zr16 Cu8","formula_reduced":"Zr2Cu","formula_anonymous":"AB2","energy_above_hull":2.393986483333334,"spacegroup":227},{"id":"jvasp-102416","created_at":"2022-09-04T14:36:47.280964Z","updated_at":"2022-09-04T14:36:47.280987Z","structure_string":"Rb2 Na1 Nd1 I6\n1.0\n7.508271 -0.000000 4.334902\n2.502757 7.078866 4.334902\n-0.000000 -0.000000 8.669805\nRb Na Nd I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Nd\n0.748807 0.251193 0.251193 I\n0.251193 0.251193 0.748806 I\n0.251193 0.748807 0.748806 I\n0.251193 0.748807 0.251192 I\n0.748807 0.251193 0.748806 I\n0.748807 0.748807 0.251192 I\n","nsites":10,"nelements":4,"elements":["Rb","Na","Nd","I"],"chemical_system":"I-Na-Nd-Rb","density":3.9624935956802294,"density_atomic":0.021701364407587753,"volume":460.800519828309,"volume_molar":27.75005592687248,"formula_full":"Rb2 Na1 Nd1 I6","formula_reduced":"Rb2NaNdI6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-98284","created_at":"2022-09-04T14:35:41.307892Z","updated_at":"2022-09-04T14:35:41.307919Z","structure_string":"Ce2 Al16 Pt9\n1.0\n4.084155 -0.000000 0.781497\n1.220610 10.078960 4.683792\n-0.022599 -0.021782 11.180888\nCe Al Pt\n2 16 9\ndirect\n0.772977 0.227024 0.227024 Ce\n0.227024 0.772976 0.772976 Ce\n0.413026 0.086975 0.086975 Al\n0.609247 0.508849 0.272657 Al\n0.078687 0.750022 0.092604 Al\n0.921314 0.907396 0.249978 Al\n0.390753 0.491151 0.727343 Al\n-0.000000 0.611433 0.388567 Al\n-0.000000 0.388568 0.611433 Al\n0.203870 0.104316 0.487945 Al\n0.796131 0.895684 0.512055 Al\n0.390753 0.727343 0.491151 Al\n0.586975 0.913026 0.913025 Al\n0.921314 0.249978 0.907397 Al\n0.796131 0.512055 0.895685 Al\n0.078687 0.092604 0.750022 Al\n0.609247 0.272657 0.508849 Al\n0.203870 0.487945 0.104316 Al\n0.660321 0.654873 0.024487 Pt\n0.000000 0.000000 0.000000 Pt\n0.126632 0.373368 0.373368 Pt\n0.500000 0.742094 0.257906 Pt\n0.873368 0.626632 0.626632 Pt\n0.660320 0.024487 0.654874 Pt\n0.339680 0.345127 0.975513 Pt\n0.500000 0.257906 0.742094 Pt\n0.339680 0.975513 0.345127 Pt\n","nsites":27,"nelements":3,"elements":["Ce","Al","Pt"],"chemical_system":"Al-Ce-Pt","density":8.892107925869952,"density_atomic":0.05859065188754098,"volume":460.824365836104,"volume_molar":10.278330358158346,"formula_full":"Ce2 Al16 Pt9","formula_reduced":"Ce2Al16Pt9","formula_anonymous":"A2B9C16","energy_above_hull":2.573209570370371,"spacegroup":71}]}