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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97426
  • 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: 32
  • Number of elements: 4
  • Element list: ['Ba', 'Pr', 'Ti', 'O']
  • Chemical System: Ba-O-Pr-Ti
  • Density: 5.607799786263988
  • Atomic Density: 0.07476234516403163
  • Unit Cell Volume: 428.0229563397282
  • Molar Volume: 8.05504528621618
  • Full Formula: Ba2 Pr4 Ti6 O20
  • Reduced Formula: BaPr2Ti3O10
  • Formula Anonymous: AB2C3D10
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm