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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117040
  • 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: ['Al', 'Cr', 'O']
  • Chemical System: Al-Cr-O
  • Density: 3.9161833060671025
  • Atomic Density: 0.09100884353594976
  • Unit Cell Volume: 131.85531794236934
  • Molar Volume: 6.617094038362514
  • Full Formula: Al1 Cr3 O8
  • Reduced Formula: AlCr3O8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m