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-59727
  • 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: 12
  • Number of elements: 2
  • Element list: ['Fe', 'N']
  • Chemical System: Fe-N
  • Density: 7.466429346997616
  • Atomic Density: 0.10731520044142706
  • Unit Cell Volume: 111.82013312782874
  • Molar Volume: 5.611638179147698
  • Full Formula: Fe8 N4
  • Reduced Formula: Fe2N
  • Formula Anonymous: AB2
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm