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-35746
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Br', 'N']
  • Chemical System: Ba-Br-N
  • Density: 5.181366894831194
  • Atomic Density: 0.03386425317526136
  • Unit Cell Volume: 118.11865388846357
  • Molar Volume: 17.783179002451224
  • Full Formula: Ba2 Br1 N1
  • Reduced Formula: Ba2BrN
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m