Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: jvasp-54869
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 4
  • Element list: ['Ba', 'Al', 'Si', 'H']
  • Chemical System: Al-Ba-H-Si
  • Density: 3.743387456076108
  • Atomic Density: 0.046624561652750515
  • Unit Cell Volume: 85.79169129333849
  • Molar Volume: 12.916241025173772
  • Full Formula: Ba1 Al1 Si1 H1
  • Reduced Formula: BaAlSiH
  • Formula Anonymous: ABCD
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1