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-103535
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ba', 'Co', 'N']
  • Chemical System: Ba-Co-N
  • Density: 5.571231906597837
  • Atomic Density: 0.04639199053271713
  • Unit Cell Volume: 107.77722496028358
  • Molar Volume: 12.98099238866026
  • Full Formula: Ba2 Co1 N2
  • Reduced Formula: Ba2CoN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm