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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-20499
  • 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: 5
  • Number of elements: 2
  • Element list: ['Ba', 'Al']
  • Chemical System: Al-Ba
  • Density: 3.387099534743015
  • Atomic Density: 0.04158476620474798
  • Unit Cell Volume: 120.2363378786802
  • Molar Volume: 14.48160302344664
  • Full Formula: Ba1 Al4
  • Reduced Formula: BaAl4
  • Formula Anonymous: AB4
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm