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-3849
  • 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: 2
  • Element list: ['Au', 'I']
  • Chemical System: Au-I
  • Density: 8.200905388110758
  • Atomic Density: 0.030497945587356155
  • Unit Cell Volume: 262.3127507748142
  • Molar Volume: 19.746053853859127
  • Full Formula: Au4 I4
  • Reduced Formula: AuI
  • Formula Anonymous: AB
  • Spacegroup Number: 138
  • Spacegroup Symbol: P4_2/ncm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm