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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56623
  • 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: 24
  • Number of elements: 4
  • Element list: ['Ba', 'V', 'Cl', 'O']
  • Chemical System: Ba-Cl-O-V
  • Density: 4.35379545402769
  • Atomic Density: 0.05789606511444767
  • Unit Cell Volume: 414.5359438945864
  • Molar Volume: 10.401640850886093
  • Full Formula: Ba4 V4 Cl4 O12
  • Reduced Formula: BaVClO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm