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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-592607
  • Created at: Sept. 4, 2022, 3:15 p.m.
  • Last updated at: Sept. 4, 2022, 3:15 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 1
  • Number of elements: 1
  • Element list: ['Ba']
  • Chemical System: Ba
  • Density: 3.626785312073185
  • Atomic Density: 0.01590438272382928
  • Unit Cell Volume: 62.87575049999999
  • Molar Volume: 37.86466199016403
  • Full Formula: Ba1
  • Reduced Formula: Ba
  • Formula Anonymous: A
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m