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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119245
  • 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: 13
  • Number of elements: 4
  • Element list: ['Ba', 'Al', 'Cu', 'O']
  • Chemical System: Al-Ba-Cu-O
  • Density: 6.075864171364602
  • Atomic Density: 0.07871758343526172
  • Unit Cell Volume: 165.14734615413283
  • Molar Volume: 7.650312036004866
  • Full Formula: Ba2 Al1 Cu3 O7
  • Reduced Formula: Ba2AlCu3O7
  • Formula Anonymous: AB2C3D7
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm