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-28443
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Ir', 'I']
  • Chemical System: I-Ir
  • Density: 7.125569820393098
  • Atomic Density: 0.029959090122965784
  • Unit Cell Volume: 267.03080658205397
  • Molar Volume: 20.101213806168293
  • Full Formula: Ir2 I6
  • Reduced Formula: IrI3
  • Formula Anonymous: AB3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m