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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85681
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ba', 'Mg', 'H']
  • Chemical System: Ba-H-Mg
  • Density: 3.3724127256555088
  • Atomic Density: 0.07355553492833125
  • Unit Cell Volume: 163.14203970771453
  • Molar Volume: 8.187202724944719
  • Full Formula: Ba2 Mg2 H8
  • Reduced Formula: BaMgH4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm