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-1216022
  • Created at: Sept. 4, 2022, 3:39 p.m.
  • Last updated at: Sept. 4, 2022, 3:39 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 1
  • Element list: ['Ba']
  • Chemical System: Ba
  • Density: 3.5616555053753314
  • Atomic Density: 0.015618771836136684
  • Unit Cell Volume: 192.07656219543395
  • Molar Volume: 38.557069807926595
  • Full Formula: Ba3
  • Reduced Formula: Ba
  • Formula Anonymous: A
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m