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-69115
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Na', 'Os']
  • Chemical System: Ba-Na-Os
  • Density: 5.719489389358004
  • Atomic Density: 0.03688374938925633
  • Unit Cell Volume: 108.4488444432696
  • Molar Volume: 16.327355162417835
  • Full Formula: Ba1 Na2 Os1
  • Reduced Formula: BaNa2Os
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm