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-108135
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Cu', 'Pd', 'Au']
  • Chemical System: Au-Cu-Pd
  • Density: 14.680336503666167
  • Atomic Density: 0.06518947345209594
  • Unit Cell Volume: 122.71919953270903
  • Molar Volume: 9.23790366925625
  • Full Formula: Cu3 Pd1 Au4
  • Reduced Formula: Cu3PdAu4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm