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-93277
  • 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: 3
  • Element list: ['Fe', 'Ni', 'N']
  • Chemical System: Fe-N-Ni
  • Density: 5.109470644294224
  • Atomic Density: 0.06404133167813768
  • Unit Cell Volume: 78.07457885368882
  • Molar Volume: 9.40352207269267
  • Full Formula: Fe3 Ni1 N1
  • Reduced Formula: Fe3NiN
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m