{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3490","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3488","results":[{"id":"jvasp-66400","created_at":"2022-09-04T14:36:21.568607Z","updated_at":"2022-09-04T14:36:21.568636Z","structure_string":"Ba4 Re1 Sb1\n1.0\n0.000000 4.850690 4.850690\n4.850690 0.000000 4.850690\n4.850690 4.850690 -0.000000\nBa Re Sb\n4 1 1\ndirect\n0.125451 0.624849 0.624849 Ba\n0.624849 0.624849 0.624849 Ba\n0.624849 0.125451 0.624849 Ba\n0.624849 0.624849 0.125451 Ba\n0.250000 0.250000 0.250000 Re\n0.000000 0.000000 0.000000 Sb\n","nsites":6,"nelements":3,"elements":["Ba","Re","Sb"],"chemical_system":"Ba-Re-Sb","density":6.2363244184846245,"density_atomic":0.02628516414414379,"volume":228.26564700516704,"volume_molar":22.910797615626475,"formula_full":"Ba4 Re1 Sb1","formula_reduced":"Ba4ReSb","formula_anonymous":"ABC4","energy_above_hull":1.556212996666667,"spacegroup":216},{"id":"jvasp-34309","created_at":"2022-09-04T14:37:07.867799Z","updated_at":"2022-09-04T14:37:07.867814Z","structure_string":"Na2 Ag2 N4 O8\n1.0\n6.163107 -0.042366 -2.273902\n-2.962155 5.404750 -2.273902\n0.077321 0.129532 6.768981\nNa Ag N O\n2 2 4 8\ndirect\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.750000 0.249999 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.020604 0.979397 0.500000 N\n0.479398 0.520602 0.500000 N\n0.797044 0.202955 0.000000 N\n0.202956 0.797044 0.000001 N\n0.594073 0.124455 0.820590 O\n0.828585 0.916850 0.314443 O\n0.303866 0.773483 0.179410 O\n0.485859 0.397591 0.314443 O\n0.602409 0.514141 0.685558 O\n0.875545 0.405926 0.179410 O\n0.226517 0.696135 0.820591 O\n0.083149 0.171416 0.685557 O\n","nsites":16,"nelements":4,"elements":["Na","Ag","N","O"],"chemical_system":"Ag-N-Na-O","density":3.242482886434438,"density_atomic":0.070092084775481,"volume":228.27113862073313,"volume_molar":8.591755801372045,"formula_full":"Na2 Ag2 N4 O8","formula_reduced":"NaAg(NO2)2","formula_anonymous":"ABC2D4","energy_above_hull":2.692674595,"spacegroup":22},{"id":"jvasp-21305","created_at":"2022-09-04T14:36:51.424376Z","updated_at":"2022-09-04T14:36:51.424401Z","structure_string":"Zn2 Cu2 Si4 O12\n1.0\n5.142240 0.204599 1.280082\n1.556682 6.628526 0.500252\n0.253752 -0.167144 6.820450\nZn Cu Si O\n2 2 4 12\ndirect\n0.749999 0.234907 0.765093 Zn\n0.250000 0.765094 0.234907 Zn\n0.249998 0.105354 0.894648 Cu\n0.749998 0.894650 0.105352 Cu\n0.242365 0.216248 0.386869 Si\n0.257633 0.613132 0.783752 Si\n0.742365 0.386870 0.216247 Si\n0.757634 0.783753 0.613131 Si\n0.633554 0.968047 0.789713 O\n0.866445 0.210285 0.031954 O\n0.626754 0.615392 0.138559 O\n0.873244 0.861443 0.384608 O\n0.373244 0.384608 0.861441 O\n0.013845 0.618058 0.676443 O\n0.986153 0.381944 0.323557 O\n0.513846 0.676444 0.618058 O\n0.366444 0.031954 0.210286 O\n0.486154 0.323559 0.381942 O\n0.126755 0.138559 0.615392 O\n0.133555 0.789716 0.968046 O\n","nsites":20,"nelements":4,"elements":["Zn","Cu","Si","O"],"chemical_system":"Cu-O-Si-Zn","density":4.089919703532854,"density_atomic":0.0876133391017007,"volume":228.27574208516577,"volume_molar":6.873543254651621,"formula_full":"Zn2 Cu2 Si4 O12","formula_reduced":"ZnCu(SiO3)2","formula_anonymous":"ABC2D6","energy_above_hull":2.028676905,"spacegroup":15},{"id":"jvasp-28591","created_at":"2022-09-04T14:37:43.507147Z","updated_at":"2022-09-04T14:37:43.507172Z","structure_string":"Mo3 W1 Se2 S6\n1.0\n3.224755 0.000000 -0.000000\n-1.612379 2.790920 0.100388\n-0.000001 0.953638 25.398904\nMo W Se S\n3 1 2 6\ndirect\n0.291164 0.582327 0.001093 Mo\n0.458981 0.917963 0.500484 Mo\n0.540211 0.080417 0.255244 Mo\n0.709648 0.419293 0.746099 W\n0.647036 0.294068 0.933621 Se\n0.601957 0.203913 0.068565 Se\n0.186391 0.372783 0.316566 S\n0.355687 0.711376 0.807816 S\n0.812805 0.625607 0.439156 S\n0.771797 0.543591 0.561895 S\n0.227397 0.454796 0.193808 S\n0.396934 0.793866 0.684404 S\n","nsites":12,"nelements":4,"elements":["Mo","W","Se","S"],"chemical_system":"Mo-S-Se-W","density":5.979059809223083,"density_atomic":0.05256650212933803,"volume":228.28226178098026,"volume_molar":11.456232612135263,"formula_full":"Mo3 W1 Se2 S6","formula_reduced":"Mo3W(SeS3)2","formula_anonymous":"AB2C3D6","energy_above_hull":3.9957453694444447,"spacegroup":160},{"id":"jvasp-85943","created_at":"2022-09-04T14:36:09.436683Z","updated_at":"2022-09-04T14:36:09.436707Z","structure_string":"Bi4 Pd2 O8\n1.0\n5.011659 -0.000029 2.428378\n2.505826 6.402537 1.214122\n-0.286082 -0.000073 6.975951\nBi Pd O\n4 2 8\ndirect\n0.653570 0.500003 0.160103 Bi\n0.813672 0.839897 0.499999 Bi\n0.153569 0.160103 0.500003 Bi\n0.313671 0.500000 0.839896 Bi\n0.671672 -0.000000 -0.000003 Pd\n0.171672 -0.000003 -0.000000 Pd\n0.553025 0.907282 0.302161 O\n0.960306 0.092721 0.302165 O\n0.053025 0.302163 0.907281 O\n0.762469 0.092721 0.697838 O\n0.355190 0.907279 0.697835 O\n0.855190 0.697837 0.907278 O\n0.460306 0.302165 0.092720 O\n0.262470 0.697838 0.092721 O\n","nsites":14,"nelements":3,"elements":["Bi","Pd","O"],"chemical_system":"Bi-O-Pd","density":8.559581154754238,"density_atomic":0.0613260136756734,"volume":228.2881139811224,"volume_molar":9.819879687351738,"formula_full":"Bi4 Pd2 O8","formula_reduced":"Bi2PdO4","formula_anonymous":"AB2C4","energy_above_hull":1.9853640428571424,"spacegroup":108},{"id":"jvasp-86542","created_at":"2022-09-04T14:36:11.533041Z","updated_at":"2022-09-04T14:36:11.533058Z","structure_string":"Bi4 Pd2 O8\n1.0\n5.011678 -0.000019 2.428398\n2.505837 6.402596 1.214152\n-0.286086 -0.000051 6.976015\nBi Pd O\n4 2 8\ndirect\n0.653572 0.500000 0.160106 Bi\n0.813676 0.839893 0.500001 Bi\n0.153571 0.160107 0.500000 Bi\n0.313676 0.500002 0.839892 Bi\n0.671671 -0.000001 -0.000002 Pd\n0.171671 -0.000002 -0.000001 Pd\n0.553025 0.907278 0.302163 O\n0.960304 0.092724 0.302163 O\n0.053024 0.302164 0.907277 O\n0.762465 0.092724 0.697836 O\n0.355188 0.907277 0.697838 O\n0.855188 0.697839 0.907276 O\n0.460304 0.302163 0.092724 O\n0.262465 0.697837 0.092724 O\n","nsites":14,"nelements":3,"elements":["Bi","Pd","O"],"chemical_system":"Bi-O-Pd","density":8.55939644168835,"density_atomic":0.061324690279609975,"volume":228.29304047304583,"volume_molar":9.820091601836138,"formula_full":"Bi4 Pd2 O8","formula_reduced":"Bi2PdO4","formula_anonymous":"AB2C4","energy_above_hull":1.9853640428571424,"spacegroup":108},{"id":"jvasp-59654","created_at":"2022-09-04T14:37:29.176018Z","updated_at":"2022-09-04T14:37:29.176045Z","structure_string":"B8 Mo8 Ir4\n1.0\n3.267868 0.000000 0.000000\n0.000000 7.404902 0.000000\n0.000000 0.000000 9.434566\nB Mo Ir\n8 8 4\ndirect\n0.500000 0.123997 0.263485 B\n0.000000 0.614954 0.041044 B\n0.000000 0.385046 0.958957 B\n0.000000 0.376003 0.763485 B\n0.500000 0.114954 0.458957 B\n0.000000 0.623997 0.236515 B\n0.500000 0.876003 0.736515 B\n0.500000 0.885046 0.541044 B\n0.000000 0.926922 0.361729 Mo\n0.500000 0.573078 0.861729 Mo\n0.000000 0.310114 0.369571 Mo\n0.500000 0.189886 0.869571 Mo\n0.000000 0.073078 0.638271 Mo\n0.000000 0.689886 0.630430 Mo\n0.500000 0.426922 0.138271 Mo\n0.500000 0.810114 0.130429 Mo\n0.000000 0.879280 0.888840 Ir\n0.500000 0.620720 0.388839 Ir\n0.000000 0.120720 0.111161 Ir\n0.500000 0.379280 0.611161 Ir\n","nsites":20,"nelements":3,"elements":["B","Mo","Ir"],"chemical_system":"B-Ir-Mo","density":11.803986044129669,"density_atomic":0.08760406280133538,"volume":228.29991395895777,"volume_molar":6.874271086783664,"formula_full":"B8 Mo8 Ir4","formula_reduced":"B2Mo2Ir","formula_anonymous":"AB2C2","energy_above_hull":5.3692496133333325,"spacegroup":58},{"id":"jvasp-50202","created_at":"2022-09-04T14:36:45.006082Z","updated_at":"2022-09-04T14:36:45.006099Z","structure_string":"Zr8 N8 O4\n1.0\n3.137978 -0.000000 0.000000\n0.000000 8.499664 0.000000\n0.000000 0.000000 8.559994\nZr N O\n8 8 4\ndirect\n0.250000 0.001095 0.181869 Zr\n0.750001 0.178751 0.494842 Zr\n0.750001 0.321250 0.994841 Zr\n0.250000 0.498904 0.681869 Zr\n0.750001 0.501095 0.318130 Zr\n0.250000 0.678750 0.005158 Zr\n0.250000 0.821250 0.505158 Zr\n0.750001 0.998904 0.818130 Zr\n0.750001 0.944213 0.375939 N\n0.750001 0.866987 0.047414 N\n0.750001 0.633012 0.547414 N\n0.750001 0.555786 0.875939 N\n0.250000 0.133013 0.952585 N\n0.250000 0.366987 0.452585 N\n0.250000 0.055786 0.624061 N\n0.250000 0.444213 0.124061 N\n0.250000 0.690389 0.273583 O\n0.750001 0.190389 0.226416 O\n0.750001 0.309611 0.726416 O\n0.250000 0.809610 0.773583 O\n","nsites":20,"nelements":3,"elements":["Zr","N","O"],"chemical_system":"N-O-Zr","density":6.5883553196014555,"density_atomic":0.08760015668328895,"volume":228.31009392264363,"volume_molar":6.874577612654902,"formula_full":"Zr8 N8 O4","formula_reduced":"Zr2N2O","formula_anonymous":"AB2C2","energy_above_hull":4.0890578,"spacegroup":62},{"id":"jvasp-10362","created_at":"2022-09-04T14:37:17.590135Z","updated_at":"2022-09-04T14:37:17.590153Z","structure_string":"Mo4 O10\n1.0\n11.906628 0.000000 0.000000\n0.000000 5.022069 -1.909168\n0.000000 -0.000000 3.818337\nMo O\n4 10\ndirect\n0.149433 0.882207 0.941103 Mo\n0.350567 0.117793 0.558898 Mo\n0.649433 0.117793 0.558898 Mo\n0.850567 0.882207 0.941103 Mo\n0.000000 -0.000805 -0.000401 O\n0.134291 0.549821 0.774911 O\n0.186009 0.978041 0.489020 O\n0.313991 0.021957 0.010979 O\n0.365709 0.450179 0.725090 O\n0.500000 0.000805 0.500402 O\n0.634291 0.450179 0.725090 O\n0.865709 0.549821 0.774911 O\n0.686009 0.021957 0.010979 O\n0.813991 0.978041 0.489020 O\n","nsites":14,"nelements":2,"elements":["Mo","O"],"chemical_system":"Mo-O","density":3.9546299024380267,"density_atomic":0.06131720062414935,"volume":228.3209255721664,"volume_molar":9.821291087493355,"formula_full":"Mo4 O10","formula_reduced":"Mo2O5","formula_anonymous":"A2B5","energy_above_hull":3.635967042857143,"spacegroup":63},{"id":"jvasp-23844","created_at":"2022-09-04T14:37:38.955941Z","updated_at":"2022-09-04T14:37:38.955966Z","structure_string":"Tb4 Ge4 Ir4\n1.0\n4.339784 0.000000 0.000000\n0.000000 6.908909 0.000000\n0.000000 0.000000 7.614996\nTb Ge Ir\n4 4 4\ndirect\n0.749999 0.498433 0.806790 Tb\n0.250000 0.001567 0.306790 Tb\n0.749999 0.998433 0.693211 Tb\n0.250000 0.501567 0.193210 Tb\n0.250000 0.794159 0.894447 Ge\n0.250000 0.294159 0.605554 Ge\n0.749999 0.205841 0.105553 Ge\n0.749999 0.705841 0.394447 Ge\n0.250000 0.666404 0.570597 Ir\n0.250000 0.166404 0.929404 Ir\n0.749999 0.833596 0.070596 Ir\n0.749999 0.333596 0.429404 Ir\n","nsites":12,"nelements":3,"elements":["Tb","Ge","Ir"],"chemical_system":"Ge-Ir-Tb","density":12.328342391323446,"density_atomic":0.05255741295762902,"volume":228.3217404493295,"volume_molar":11.458213829617065,"formula_full":"Tb4 Ge4 Ir4","formula_reduced":"TbGeIr","formula_anonymous":"ABC","energy_above_hull":1.7141118166666665,"spacegroup":62},{"id":"jvasp-66553","created_at":"2022-09-04T14:36:16.340415Z","updated_at":"2022-09-04T14:36:16.340435Z","structure_string":"Ba4 Cd1 Rh1\n1.0\n0.000000 4.851116 4.851116\n4.851116 -0.000000 4.851116\n4.851116 4.851116 -0.000000\nBa Cd Rh\n4 1 1\ndirect\n0.122634 0.625790 0.625790 Ba\n0.625790 0.625790 0.625790 Ba\n0.625790 0.122634 0.625790 Ba\n0.625790 0.625790 0.122634 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Rh\n","nsites":6,"nelements":3,"elements":["Ba","Cd","Rh"],"chemical_system":"Ba-Cd-Rh","density":5.560864751073997,"density_atomic":0.026278240069364363,"volume":228.3257929055495,"volume_molar":22.916834400263806,"formula_full":"Ba4 Cd1 Rh1","formula_reduced":"Ba4CdRh","formula_anonymous":"ABC4","energy_above_hull":0.1111877716666666,"spacegroup":216},{"id":"jvasp-110838","created_at":"2022-09-04T14:38:47.939532Z","updated_at":"2022-09-04T14:38:47.939557Z","structure_string":"Nd6 Zn2\n1.0\n7.047183 0.000000 0.000000\n-3.523592 6.103040 0.000000\n-0.000000 -0.000000 5.308780\nNd Zn\n6 2\ndirect\n0.822804 0.645608 0.750000 Nd\n0.354392 0.177195 0.750000 Nd\n0.822804 0.177195 0.750000 Nd\n0.177195 0.354392 0.250000 Nd\n0.645608 0.822805 0.250000 Nd\n0.177196 0.822805 0.250000 Nd\n0.333333 0.666667 0.750000 Zn\n0.666666 0.333333 0.250000 Zn\n","nsites":8,"nelements":2,"elements":["Nd","Zn"],"chemical_system":"Nd-Zn","density":7.245521616057973,"density_atomic":0.035037530843327704,"volume":228.3265917273809,"volume_molar":17.187685932916743,"formula_full":"Nd6 Zn2","formula_reduced":"Nd3Zn","formula_anonymous":"AB3","energy_above_hull":1.17385205,"spacegroup":194}]}