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-36532
  • 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: 10
  • Number of elements: 3
  • Element list: ['Hf', 'Zn', 'N']
  • Chemical System: Hf-N-Zn
  • Density: 12.4602365265533
  • Atomic Density: 0.06101727385409088
  • Unit Cell Volume: 163.88801675920095
  • Molar Volume: 9.869567058011473
  • Full Formula: Hf6 Zn2 N2
  • Reduced Formula: Hf3ZnN
  • Formula Anonymous: ABC3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm