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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50415
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ba', 'Sr', 'I']
  • Chemical System: Ba-I-Sr
  • Density: 4.558389600501933
  • Atomic Density: 0.02174591840981945
  • Unit Cell Volume: 551.8276935400143
  • Molar Volume: 27.69320038136757
  • Full Formula: Ba3 Sr1 I8
  • Reduced Formula: Ba3SrI8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm