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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55329
  • 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: 27
  • Number of elements: 3
  • Element list: ['Ba', 'V', 'O']
  • Chemical System: Ba-O-V
  • Density: 3.8466188688675707
  • Atomic Density: 0.062195686770175035
  • Unit Cell Volume: 434.113704697404
  • Molar Volume: 9.682569761232742
  • Full Formula: Ba3 V6 O18
  • Reduced Formula: BaV2O6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222