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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-32340
  • 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: 20
  • Number of elements: 3
  • Element list: ['V', 'Cl', 'O']
  • Chemical System: Cl-O-V
  • Density: 2.3028119373414904
  • Atomic Density: 0.04001115302222098
  • Unit Cell Volume: 499.8606260832475
  • Molar Volume: 15.05115525327522
  • Full Formula: V4 Cl12 O4
  • Reduced Formula: VCl3O
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm