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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56811
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Ba', 'W', 'Cl', 'O']
  • Chemical System: Ba-Cl-O-W
  • Density: 5.2938121768885855
  • Atomic Density: 0.04696258631966613
  • Unit Cell Volume: 468.4580157116953
  • Molar Volume: 12.823273230755095
  • Full Formula: Ba6 W2 Cl4 O10
  • Reduced Formula: Ba3WCl2O5
  • Formula Anonymous: AB2C3D5
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm