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-68940
  • 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', 'Cu']
  • Chemical System: Ba-Cu-Na
  • Density: 4.032279058454631
  • Atomic Density: 0.026892181503824594
  • Unit Cell Volume: 148.74211671638173
  • Molar Volume: 22.393649095159997
  • Full Formula: Ba2 Na1 Cu1
  • Reduced Formula: Ba2NaCu
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m