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-52414
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Hf', 'Zn', 'N']
  • Chemical System: Hf-N-Zn
  • Density: 11.424332964719893
  • Atomic Density: 0.06458229838272053
  • Unit Cell Volume: 433.55533483911444
  • Molar Volume: 9.324754477321711
  • Full Formula: Hf12 Zn12 N4
  • Reduced Formula: Hf3Zn3N
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m