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-8596
  • 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: 5
  • Number of elements: 3
  • Element list: ['Na', 'Be', 'H']
  • Chemical System: Be-H-Na
  • Density: 1.5565734045937363
  • Atomic Density: 0.1338143858994464
  • Unit Cell Volume: 37.36519034476013
  • Molar Volume: 4.500368715606768
  • Full Formula: Na1 Be1 H3
  • Reduced Formula: NaBeH3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m