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-102773
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Cu', 'I', 'Cl']
  • Chemical System: Cl-Cu-I
  • Density: 6.364316390797854
  • Atomic Density: 0.04573943249746624
  • Unit Cell Volume: 174.9037878955574
  • Molar Volume: 13.166190377052885
  • Full Formula: Cu4 I3 Cl1
  • Reduced Formula: Cu4I3Cl
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm