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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-12507
  • 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: 12
  • Number of elements: 2
  • Element list: ['Ba', 'I']
  • Chemical System: Ba-I
  • Density: 5.1254798321759845
  • Atomic Density: 0.023674398999927015
  • Unit Cell Volume: 506.8766476410655
  • Molar Volume: 25.437354333761817
  • Full Formula: Ba4 I8
  • Reduced Formula: BaI2
  • Formula Anonymous: AB2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm