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-19110
  • Created at: Sept. 4, 2022, 3:21 p.m.
  • Last updated at: Sept. 4, 2022, 3:21 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['Hf', 'I']
  • Chemical System: Hf-I
  • Density: 4.177930281572462
  • Atomic Density: 0.018335370415648474
  • Unit Cell Volume: 2181.5757791215206
  • Molar Volume: 32.84439105119116
  • Full Formula: Hf8 I32
  • Reduced Formula: HfI4
  • Formula Anonymous: AB4
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3