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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1724278
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Cl', 'Cu']
  • Chemical System: Cl-Cu
  • Density: 4.135335686387624
  • Atomic Density: 0.055566834859764734
  • Unit Cell Volume: 215.9561549669811
  • Molar Volume: 10.837653026662778
  • Full Formula: Cu4 Cl8
  • Reduced Formula: CuCl2
  • Formula Anonymous: AB2
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3