orm. enthalpies 367,370 band structures 243,465 Bader charges 6,446 elastic properties 6,461 thermal properties 1,737 binary systems 363,732 binary entries 30,266 ternary systems 2,594,493 ternary entries 150,658 quaternary systems 452,268 quaternary entries
Curtarolo, Stefano, Wahyu Setyawan, Shidong Wang, Junkai Xue, Kesong Yang, Richard H. Taylor, Lance J. Nelson et al. "AFLOWLIB. ORG: A distributed materials properties repository from high-throughput ab initio calculations." Computational Materials Science 58 (2012): 227-235.
DFT strucctures, band gap, formation energy, elastic, thermal,
Curator: hujianju@gmail.com