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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91520
  • 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: 8
  • Number of elements: 3
  • Element list: ['La', 'Al', 'H']
  • Chemical System: Al-H-La
  • Density: 3.6573800540723984
  • Atomic Density: 0.10248199620214003
  • Unit Cell Volume: 78.06249191536477
  • Molar Volume: 5.876291429883609
  • Full Formula: La1 Al1 H6
  • Reduced Formula: LaAlH6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m