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-115603
  • 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: 4
  • Number of elements: 2
  • Element list: ['Ba', 'O']
  • Chemical System: Ba-O
  • Density: 5.853545317032706
  • Atomic Density: 0.04598147984481698
  • Unit Cell Volume: 86.9915455853011
  • Molar Volume: 13.096883311115995
  • Full Formula: Ba2 O2
  • Reduced Formula: BaO
  • Formula Anonymous: AB
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m