{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=4380","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=4378","results":[{"id":"jvasp-22970","created_at":"2022-09-04T14:37:33.480646Z","updated_at":"2022-09-04T14:37:33.480666Z","structure_string":"Ca6 Ge6 O18\n1.0\n7.353363 0.001620 0.036839\n-0.017464 7.590925 0.003490\n-0.677921 -1.913904 7.944838\nCa Ge O\n6 6 18\ndirect\n0.969643 0.245832 0.986297 Ca\n0.030358 0.754169 0.013703 Ca\n0.261602 0.925418 0.708614 Ca\n0.738398 0.074583 0.291387 Ca\n0.259052 0.427074 0.709000 Ca\n0.740949 0.572928 0.291000 Ca\n0.552527 0.727114 0.908678 Ge\n0.447473 0.272888 0.091322 Ge\n0.775726 0.395006 0.681234 Ge\n0.778905 0.942657 0.676793 Ge\n0.221095 0.057344 0.323207 Ge\n0.224274 0.604995 0.318766 Ge\n0.024811 0.074722 0.191161 O\n0.712337 0.775570 0.083283 O\n0.287663 0.224431 0.916718 O\n0.313972 0.729705 0.904586 O\n0.686028 0.270297 0.095414 O\n0.423105 0.498272 0.224180 O\n0.576896 0.501729 0.775821 O\n0.975189 0.925279 0.808839 O\n0.769821 0.373671 0.466176 O\n0.579244 0.870802 0.761199 O\n0.224177 0.137942 0.540354 O\n0.775823 0.862059 0.459647 O\n0.230179 0.626330 0.533825 O\n0.026651 0.522307 0.187075 O\n0.257817 0.819378 0.268754 O\n0.742183 0.180623 0.731247 O\n0.420757 0.129199 0.238802 O\n0.973349 0.477694 0.812925 O\n","nsites":30,"nelements":3,"elements":["Ca","Ge","O"],"chemical_system":"Ca-Ge-O","density":3.608769467327507,"density_atomic":0.0676114719927013,"volume":443.7116825860339,"volume_molar":8.906980697965121,"formula_full":"Ca6 Ge6 O18","formula_reduced":"CaGeO3","formula_anonymous":"ABC3","energy_above_hull":1.120317374,"spacegroup":2},{"id":"jvasp-5236","created_at":"2022-09-04T14:37:06.565875Z","updated_at":"2022-09-04T14:37:06.565906Z","structure_string":"P4 Cl12\n1.0\n6.076355 0.000000 0.000000\n0.000000 7.786267 0.000000\n0.000000 0.000000 9.379632\nP Cl\n4 12\ndirect\n0.924045 0.988268 0.750000 P\n0.424046 0.511733 0.250000 P\n0.575953 0.488268 0.750000 P\n0.075954 0.011733 0.250000 P\n0.732334 0.904396 0.919886 Cl\n0.232334 0.595605 0.080114 Cl\n0.767665 0.404396 0.580113 Cl\n0.267666 0.095605 0.419886 Cl\n0.833826 0.200532 0.250000 Cl\n0.333826 0.299468 0.750000 Cl\n0.666173 0.700533 0.250000 Cl\n0.166174 0.799468 0.750000 Cl\n0.732334 0.904396 0.580113 Cl\n0.232334 0.595605 0.419886 Cl\n0.767665 0.404396 0.919886 Cl\n0.267666 0.095605 0.080114 Cl\n","nsites":16,"nelements":2,"elements":["P","Cl"],"chemical_system":"Cl-P","density":2.0555356476705593,"density_atomic":0.036054688863674626,"volume":443.77029740839396,"volume_molar":16.702794975627576,"formula_full":"P4 Cl12","formula_reduced":"PCl3","formula_anonymous":"AB3","energy_above_hull":0.6504619256250002,"spacegroup":62},{"id":"jvasp-23297","created_at":"2022-09-04T14:37:52.381948Z","updated_at":"2022-09-04T14:37:52.381961Z","structure_string":"Sr4 Co2 Se6 O18\n1.0\n7.145161 -0.043212 -0.003347\n-0.765716 7.728670 0.039019\n-2.258560 -2.215930 8.031710\nSr Co Se O\n4 2 6 18\ndirect\n0.620974 0.486426 0.806958 Sr\n0.379026 0.513574 0.193042 Sr\n0.759963 0.912182 0.604884 Sr\n0.240036 0.087818 0.395115 Sr\n0.090939 0.340725 0.751131 Co\n0.909061 0.659275 0.248869 Co\n0.781627 0.365307 0.410168 Se\n0.102229 0.796030 0.966870 Se\n0.629608 0.923183 0.198232 Se\n0.897770 0.203970 0.033130 Se\n0.218372 0.634694 0.589831 Se\n0.370391 0.076817 0.801768 Se\n0.815567 0.408182 0.072716 O\n0.336695 0.296930 0.887907 O\n0.849668 0.000309 0.352558 O\n0.518187 0.128554 0.683431 O\n0.481812 0.871446 0.316569 O\n0.127694 0.243993 0.169520 O\n0.872305 0.756007 0.830480 O\n0.184432 0.591818 0.927284 O\n0.229005 0.406815 0.599783 O\n0.059479 0.806353 0.158192 O\n0.533272 0.290493 0.351578 O\n0.466728 0.709507 0.648422 O\n0.770994 0.593185 0.400217 O\n0.663305 0.703070 0.112093 O\n0.839193 0.381226 0.622702 O\n0.160807 0.618774 0.377298 O\n0.940520 0.193647 0.841807 O\n0.150332 -0.000309 0.647441 O\n","nsites":30,"nelements":4,"elements":["Sr","Co","Se","O"],"chemical_system":"Co-O-Se-Sr","density":4.602328153118789,"density_atomic":0.06759442484799946,"volume":443.82358556140423,"volume_molar":8.909227016195599,"formula_full":"Sr4 Co2 Se6 O18","formula_reduced":"Sr2Co(SeO3)3","formula_anonymous":"AB2C3D9","energy_above_hull":2.213942341333333,"spacegroup":2},{"id":"jvasp-82023","created_at":"2022-09-04T14:37:18.378583Z","updated_at":"2022-09-04T14:37:18.378609Z","structure_string":"Li1 Cu2 Pd1\n1.0\n-8.425428 -0.000000 -4.864422\n-7.671840 -0.112303 3.559170\n-5.312816 6.560024 -0.526779\nLi Cu Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.744402 0.000000 0.000000 Cu\n0.255598 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Li","Cu","Pd"],"chemical_system":"Cu-Li-Pd","density":0.8994109228495396,"density_atomic":0.009010291708322564,"volume":443.9367924464985,"volume_molar":66.83624631639297,"formula_full":"Li1 Cu2 Pd1","formula_reduced":"LiCu2Pd","formula_anonymous":"ABC2","energy_above_hull":0.82818915,"spacegroup":71},{"id":"jvasp-117160","created_at":"2022-09-04T14:38:45.777458Z","updated_at":"2022-09-04T14:38:45.777486Z","structure_string":"Mn4 P24 W2\n1.0\n7.797556 0.005506 3.511432\n5.666438 5.356621 3.511432\n-0.000708 -0.000282 10.636550\nMn P W\n4 24 2\ndirect\n0.010870 0.628301 0.045338 Mn\n0.371699 0.989130 0.454661 Mn\n0.989129 0.371700 0.954661 Mn\n0.628301 0.010871 0.545338 Mn\n0.403568 0.050936 0.924280 P\n0.949065 0.596432 0.575719 P\n0.596432 0.949065 0.075719 P\n0.050935 0.403569 0.424280 P\n0.421839 0.701281 0.833207 P\n0.298719 0.578161 0.666792 P\n0.578160 0.298720 0.166792 P\n0.701281 0.421840 0.333207 P\n0.354818 0.002081 0.664090 P\n0.997919 0.645183 0.835910 P\n0.645182 0.997920 0.335910 P\n0.002081 0.354818 0.164090 P\n0.331448 0.436216 0.502582 P\n0.436216 0.331448 0.002582 P\n0.668552 0.563785 0.497417 P\n0.076457 0.989875 0.574563 P\n0.010125 0.923544 0.925436 P\n0.923543 0.010126 0.425436 P\n0.989875 0.076457 0.074563 P\n0.671399 0.023893 0.740550 P\n0.976107 0.328602 0.759449 P\n0.328601 0.976108 0.259449 P\n0.023893 0.671399 0.240551 P\n0.563784 0.668553 0.997417 P\n0.303977 0.696024 0.250000 W\n0.696023 0.303977 0.750000 W\n","nsites":30,"nelements":3,"elements":["Mn","P","W"],"chemical_system":"Mn-P-W","density":4.977622193788016,"density_atomic":0.06757413417597558,"volume":443.95685369603757,"volume_molar":8.911902214414216,"formula_full":"Mn4 P24 W2","formula_reduced":"Mn2P12W","formula_anonymous":"AB2C12","energy_above_hull":4.293014032183908,"spacegroup":15},{"id":"jvasp-121986","created_at":"2022-09-04T14:38:50.694812Z","updated_at":"2022-09-04T14:38:50.694846Z","structure_string":"Nd4 Sc4 S12\n1.0\n6.476869 -0.000000 0.000000\n0.000000 7.166921 0.000000\n-0.000000 -0.000000 9.564540\nNd Sc S\n4 4 12\ndirect\n0.537296 0.400835 0.750000 Nd\n0.462704 0.599165 0.250000 Nd\n0.037296 0.099165 0.250000 Nd\n0.962704 0.900835 0.750000 Nd\n-0.000000 0.500000 -0.000000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Sc\n0.128429 0.535676 0.750000 S\n0.871571 0.464323 0.250000 S\n0.676201 0.686430 0.938053 S\n0.323799 0.313570 0.438053 S\n0.176201 0.813570 0.438053 S\n0.176201 0.813570 0.061947 S\n0.676201 0.686430 0.561947 S\n0.323799 0.313570 0.061947 S\n0.371571 0.035676 0.750000 S\n0.823799 0.186430 0.561947 S\n0.823799 0.186430 0.938053 S\n0.628429 0.964323 0.250000 S\n","nsites":20,"nelements":3,"elements":["Nd","Sc","S"],"chemical_system":"Nd-S-Sc","density":4.269632084203977,"density_atomic":0.045047238968174086,"volume":443.978375991701,"volume_molar":13.36850137309114,"formula_full":"Nd4 Sc4 S12","formula_reduced":"NdScS3","formula_anonymous":"ABC3","energy_above_hull":1.67550535,"spacegroup":62},{"id":"jvasp-105684","created_at":"2022-09-04T14:35:43.910691Z","updated_at":"2022-09-04T14:35:43.910714Z","structure_string":"Rb2 Na1 Sb1 I6\n1.0\n7.415985 0.000000 4.281621\n2.471995 6.991859 4.281621\n0.000000 0.000000 8.563243\nRb Na Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.751951 0.248049 0.248049 I\n0.248049 0.248049 0.751950 I\n0.248049 0.751951 0.751951 I\n0.248049 0.751951 0.248049 I\n0.751951 0.248049 0.751950 I\n0.751951 0.751951 0.248049 I\n","nsites":10,"nelements":4,"elements":["Rb","Na","Sb","I"],"chemical_system":"I-Na-Rb-Sb","density":4.028192955335747,"density_atomic":0.022521651166227185,"volume":444.01717823405903,"volume_molar":26.73933947183512,"formula_full":"Rb2 Na1 Sb1 I6","formula_reduced":"Rb2NaSbI6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-101839","created_at":"2022-09-04T14:36:41.045551Z","updated_at":"2022-09-04T14:36:41.045561Z","structure_string":"H16 C26 O4\n1.0\n3.706368 -0.086705 -0.341050\n-1.052873 8.481179 -1.065546\n-0.022001 -0.287720 14.209550\nH C O\n16 26 4\ndirect\n0.930362 0.990282 0.062434 H\n0.635900 0.427539 0.265953 H\n0.201971 0.707959 0.495344 H\n0.701982 0.707959 0.995345 H\n0.028130 0.231608 0.565337 H\n0.528136 0.231607 0.065337 H\n0.969791 0.928650 0.823629 H\n0.469795 0.928650 0.323629 H\n0.135902 0.427539 0.765953 H\n0.515399 0.060645 0.907826 H\n0.745810 0.644807 0.757222 H\n0.245817 0.644806 0.257222 H\n0.625807 0.593891 0.424102 H\n0.125816 0.593891 0.924103 H\n0.430355 0.990282 0.562434 H\n0.015399 0.060646 0.407827 H\n0.823229 0.233548 0.326211 C\n0.777133 0.913827 0.104308 C\n0.277126 0.913826 0.604308 C\n0.217210 0.478490 0.920266 C\n0.717204 0.478490 0.420265 C\n0.720609 0.385526 0.332064 C\n0.150269 0.756456 0.566864 C\n0.220611 0.385527 0.832065 C\n0.355549 0.150079 0.728788 C\n0.855552 0.150079 0.228788 C\n0.323229 0.233548 0.826212 C\n0.650278 0.756457 0.066865 C\n0.959503 0.660034 0.622994 C\n0.425575 0.176544 0.910750 C\n0.832045 0.421164 0.503548 C\n0.332052 0.421163 0.003549 C\n0.219089 0.979250 0.697196 C\n0.719094 0.979251 0.197197 C\n0.925574 0.176546 0.410750 C\n0.900517 0.722256 0.716163 C\n0.400524 0.722255 0.216164 C\n0.935327 0.270859 0.499307 C\n0.435331 0.270858 -0.000693 C\n0.026901 0.880451 0.752356 C\n0.526907 0.880451 0.252356 C\n0.459511 0.660033 0.122995 C\n0.497613 0.230394 0.672266 O\n0.325561 0.502711 0.095171 O\n0.825551 0.502712 0.595171 O\n-0.002385 0.230394 0.172267 O\n","nsites":46,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.4673506689821287,"density_atomic":0.10358825249415551,"volume":444.0657979300822,"volume_molar":5.813536395297113,"formula_full":"H16 C26 O4","formula_reduced":"H8C13O2","formula_anonymous":"A2B8C13","energy_above_hull":5.743161173913043,"spacegroup":1},{"id":"jvasp-117406","created_at":"2022-09-04T14:38:26.435574Z","updated_at":"2022-09-04T14:38:26.435601Z","structure_string":"K6 Nd2 V4 O16\n1.0\n5.934201 -0.000000 0.000000\n0.000000 7.528215 0.108744\n-0.000000 -0.027621 9.940754\nK Nd V O\n6 2 4 16\ndirect\n0.250000 0.133670 0.087883 K\n0.750000 0.866329 0.912116 K\n0.250000 0.684408 0.420407 K\n0.750000 0.315591 0.579592 K\n0.250000 0.994528 0.690869 K\n0.750000 0.005472 0.309130 K\n0.750000 0.507651 0.206939 Nd\n0.250000 0.492349 0.793061 Nd\n0.750000 0.304052 0.923123 V\n0.250000 0.695947 0.076877 V\n0.750000 0.743114 0.586915 V\n0.250000 0.256885 0.413084 V\n0.250000 0.472331 0.044673 O\n0.750000 0.527669 0.955326 O\n0.510444 0.246188 0.833765 O\n0.010444 0.753811 0.166234 O\n0.489556 0.753811 0.166234 O\n0.989556 0.246188 0.833765 O\n0.750000 0.968250 0.592543 O\n0.489082 0.337865 0.331351 O\n0.750000 0.671236 0.421477 O\n0.250000 0.328763 0.578522 O\n0.510918 0.662134 0.668648 O\n0.010918 0.337865 0.331351 O\n0.750000 0.206091 0.081319 O\n0.989081 0.662134 0.668648 O\n0.250000 0.031749 0.407457 O\n0.250000 0.793908 0.918680 O\n","nsites":28,"nelements":4,"elements":["K","Nd","V","O"],"chemical_system":"K-Nd-O-V","density":3.6748241949524325,"density_atomic":0.06304737483456856,"volume":444.11048157785854,"volume_molar":9.55177083233304,"formula_full":"K6 Nd2 V4 O16","formula_reduced":"K3NdV2O8","formula_anonymous":"AB2C3D8","energy_above_hull":2.1731765642857144,"spacegroup":11},{"id":"jvasp-29663","created_at":"2022-09-04T14:38:31.364418Z","updated_at":"2022-09-04T14:38:31.364452Z","structure_string":"Er6 I7\n1.0\n3.897859 -0.000000 0.686500\n1.263222 10.123584 4.236619\n0.017402 0.130040 11.310233\nEr I\n6 7\ndirect\n0.870563 0.712341 0.546533 Er\n0.685818 0.006792 0.621570 Er\n0.237318 0.728670 0.796693 Er\n0.314181 0.993208 0.378430 Er\n0.762681 0.271330 0.203308 Er\n0.129437 0.287660 0.453467 Er\n0.387355 0.160248 0.065041 I\n0.833879 0.500473 0.831766 I\n0.166120 0.499526 0.168233 I\n0.612644 0.839752 0.934959 I\n0.953023 0.834364 0.259591 I\n0.500000 0.500000 0.500000 I\n0.046977 0.165635 0.740409 I\n","nsites":13,"nelements":2,"elements":["Er","I"],"chemical_system":"Er-I","density":7.073178510666557,"density_atomic":0.02926941707683013,"volume":444.1496038638531,"volume_molar":20.57485717666433,"formula_full":"Er6 I7","formula_reduced":"Er6I7","formula_anonymous":"A6B7","energy_above_hull":0.6525430769230771,"spacegroup":12},{"id":"jvasp-98343","created_at":"2022-09-04T14:36:02.215495Z","updated_at":"2022-09-04T14:36:02.215510Z","structure_string":"Fe6 P4 H16 O24\n1.0\n10.382884 0.000000 -2.064133\n0.000000 4.702256 0.000000\n-0.121115 0.000000 9.121466\nFe P H O\n6 4 16 24\ndirect\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.668930 0.429007 0.326612 Fe\n0.831070 0.929008 0.673389 Fe\n0.331070 0.570994 0.673389 Fe\n0.168930 0.070993 0.326612 Fe\n0.449974 0.971269 0.238641 P\n0.050026 0.471268 0.761360 P\n0.949974 0.528733 0.238641 P\n0.550026 0.028732 0.761360 P\n0.674995 0.435173 0.614953 H\n0.407555 0.292332 0.445011 H\n0.592445 0.707669 0.554990 H\n0.907554 0.207668 0.445011 H\n0.325005 0.564828 0.385048 H\n0.174995 0.064827 0.614953 H\n0.825005 0.935174 0.385048 H\n0.092446 0.792333 0.554990 H\n0.238845 0.720857 0.911483 H\n0.738844 0.779145 0.911483 H\n0.761155 0.279144 0.088518 H\n0.142896 0.443385 0.057112 H\n0.357104 0.943385 0.942889 H\n0.857104 0.556616 0.942889 H\n0.642896 0.056616 0.057112 H\n0.261156 0.220856 0.088518 H\n0.968331 0.654906 0.635931 O\n0.468331 0.845095 0.635931 O\n0.031669 0.345095 0.364069 O\n0.668783 0.247788 0.101284 O\n0.168783 0.252212 0.101284 O\n0.331217 0.752213 0.898717 O\n0.531669 0.154905 0.364070 O\n0.825272 0.107815 0.451618 O\n0.674727 0.607815 0.548383 O\n0.831217 0.747789 0.898717 O\n0.327054 0.856908 0.286700 O\n0.405564 0.158857 0.094422 O\n0.672946 0.143092 0.713301 O\n0.827054 0.643093 0.286700 O\n0.094436 0.658858 0.905578 O\n0.594436 0.841144 0.905579 O\n0.905564 0.341143 0.094422 O\n0.032234 0.782103 0.201082 O\n0.467766 0.282102 0.798919 O\n0.967766 0.217898 0.798919 O\n0.532234 0.717899 0.201082 O\n0.174728 0.892186 0.548382 O\n0.172946 0.356908 0.713301 O\n0.325273 0.392186 0.451618 O\n","nsites":50,"nelements":4,"elements":["Fe","P","H","O"],"chemical_system":"Fe-H-O-P","density":3.2117411852013444,"density_atomic":0.11257164386194461,"volume":444.16158709842506,"volume_molar":5.349607195383431,"formula_full":"Fe6 P4 H16 O24","formula_reduced":"Fe3P2(H2O3)4","formula_anonymous":"A2B3C8D12","energy_above_hull":3.30452278,"spacegroup":14},{"id":"jvasp-99254","created_at":"2022-09-04T14:35:46.887205Z","updated_at":"2022-09-04T14:35:46.887230Z","structure_string":"Rb4 V2 Ag2 S8\n1.0\n5.627716 -0.000000 1.412755\n2.813858 6.658142 0.706378\n0.014091 -0.000000 11.859265\nRb V Ag S\n4 2 2 8\ndirect\n0.444134 0.750000 0.111734 Rb\n0.194133 0.250000 0.611734 Rb\n0.805868 0.750000 0.388265 Rb\n0.555868 0.250000 0.888265 Rb\n0.625001 0.750000 0.750000 V\n0.375000 0.250000 0.250000 V\n0.125000 0.750000 0.750000 Ag\n0.875001 0.250000 0.250000 Ag\n0.871765 0.553365 0.862299 S\n0.265937 0.946634 0.862299 S\n0.574872 0.553365 0.637700 S\n0.787429 0.946634 0.637700 S\n0.425130 0.446635 0.362299 S\n0.212572 0.053365 0.362299 S\n0.734064 0.053365 0.137700 S\n0.128237 0.446635 0.137701 S\n","nsites":16,"nelements":4,"elements":["Rb","V","Ag","S"],"chemical_system":"Ag-Rb-S-V","density":3.4240189225770594,"density_atomic":0.036016917575038374,"volume":444.23568359688966,"volume_molar":16.72031135772058,"formula_full":"Rb4 V2 Ag2 S8","formula_reduced":"Rb2VAgS4","formula_anonymous":"ABC2D4","energy_above_hull":1.2931026825,"spacegroup":70}]}