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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-45954
  • 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: 20
  • Number of elements: 4
  • Element list: ['Li', 'Bi', 'Br', 'O']
  • Chemical System: Bi-Br-Li-O
  • Density: 7.327087664852683
  • Atomic Density: 0.05144617108212467
  • Unit Cell Volume: 388.75585061662906
  • Molar Volume: 11.705712268434365
  • Full Formula: Li2 Bi6 Br4 O8
  • Reduced Formula: LiBi3(BrO2)2
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm