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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-19082
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ba', 'Ti', 'O']
  • Chemical System: Ba-O-Ti
  • Density: 5.008003294010976
  • Atomic Density: 0.07706917126794405
  • Unit Cell Volume: 311.4085646069805
  • Molar Volume: 7.813942541386629
  • Full Formula: Ba3 Ti6 O15
  • Reduced Formula: BaTi2O5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m