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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-46527
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ba', 'Ti', 'O']
  • Chemical System: Ba-O-Ti
  • Density: 5.840157585168121
  • Atomic Density: 0.06810322050340553
  • Unit Cell Volume: 176.20312095813347
  • Molar Volume: 8.84266663967655
  • Full Formula: Ba3 Ti2 O7
  • Reduced Formula: Ba3Ti2O7
  • Formula Anonymous: A2B3C7
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2