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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96782
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Al', 'Ga', 'Cl']
  • Chemical System: Al-Cl-Ga
  • Density: 2.478514919519226
  • Atomic Density: 0.03754699564367134
  • Unit Cell Volume: 639.1989449106635
  • Molar Volume: 16.03894174956459
  • Full Formula: Al4 Ga4 Cl16
  • Reduced Formula: AlGaCl4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm