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-58358
  • 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: 12
  • Number of elements: 2
  • Element list: ['Ba', 'Si']
  • Chemical System: Ba-Si
  • Density: 4.10223145951741
  • Atomic Density: 0.03830150485460005
  • Unit Cell Volume: 313.3036168044658
  • Molar Volume: 15.722987341779952
  • Full Formula: Ba4 Si8
  • Reduced Formula: BaSi2
  • Formula Anonymous: AB2
  • Spacegroup Number: 212
  • Spacegroup Symbol: P4_332
  • Crystal System: cubic
  • Pointgroup: 432