Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-20582
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Cu', 'Au']
  • Chemical System: Au-Cu
  • Density: 16.459353316889448
  • Atomic Density: 0.06058289723161714
  • Unit Cell Volume: 66.02523455930844
  • Molar Volume: 9.940331405704303
  • Full Formula: Cu1 Au3
  • Reduced Formula: CuAu3
  • Formula Anonymous: AB3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m