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-101195
  • 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: 5
  • Number of elements: 2
  • Element list: ['Fe', 'N']
  • Chemical System: Fe-N
  • Density: 7.776743936666121
  • Atomic Density: 0.09864210306909416
  • Unit Cell Volume: 50.68829479940969
  • Molar Volume: 6.105040923328422
  • Full Formula: Fe4 N1
  • Reduced Formula: Fe4N
  • Formula Anonymous: AB4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m