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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59580
  • 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: 25
  • Number of elements: 3
  • Element list: ['Ba', 'V', 'O']
  • Chemical System: Ba-O-V
  • Density: 6.056435279246112
  • Atomic Density: 0.07718545560600412
  • Unit Cell Volume: 323.8952183895031
  • Molar Volume: 7.802170386530113
  • Full Formula: Ba5 V5 O15
  • Reduced Formula: BaVO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1