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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-92305
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ba', 'Ti', 'O']
  • Chemical System: Ba-O-Ti
  • Density: 5.833978515982639
  • Atomic Density: 0.07533064962336776
  • Unit Cell Volume: 66.3740459560432
  • Molar Volume: 7.9942769511600185
  • Full Formula: Ba1 Ti1 O3
  • Reduced Formula: BaTiO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2