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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-111105
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Ba', 'Bi', 'O']
  • Chemical System: Ba-Bi-O
  • Density: 6.141107062819036
  • Atomic Density: 0.026328348478182
  • Unit Cell Volume: 265.87311413782066
  • Molar Volume: 22.873218823392886
  • Full Formula: Ba4 Bi2 O1
  • Reduced Formula: Ba4Bi2O
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm