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-1215666
  • 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: 1
  • Number of elements: 1
  • Element list: ['Ba']
  • Chemical System: Ba
  • Density: 3.5577046737620406
  • Atomic Density: 0.015601446427366002
  • Unit Cell Volume: 64.09662108289727
  • Molar Volume: 38.5998874401591
  • Full Formula: Ba1
  • Reduced Formula: Ba
  • Formula Anonymous: A
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm