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-6794
  • Created at: Sept. 4, 2022, 3:18 p.m.
  • Last updated at: Sept. 4, 2022, 3:18 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['I', 'In', 'Rb']
  • Chemical System: I-In-Rb
  • Density: 3.8533723051104363
  • Atomic Density: 0.01966839649434798
  • Unit Cell Volume: 1830.34748208097
  • Molar Volume: 30.618361602231055
  • Full Formula: Rb6 In6 I24
  • Reduced Formula: RbInI4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m