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-120546
  • 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: 21
  • Number of elements: 3
  • Element list: ['Ba', 'Sr', 'B']
  • Chemical System: B-Ba-Sr
  • Density: 4.02632118915452
  • Atomic Density: 0.09143726602221082
  • Unit Cell Volume: 229.66565945769787
  • Molar Volume: 6.586090138059437
  • Full Formula: Ba2 Sr1 B18
  • Reduced Formula: Ba2SrB18
  • Formula Anonymous: AB2C18
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm