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-92593
  • 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: ['Zn', 'Ni', 'N']
  • Chemical System: N-Ni-Zn
  • Density: 7.912899451432285
  • Atomic Density: 0.09325510572326155
  • Unit Cell Volume: 53.61636728864702
  • Molar Volume: 6.457706217041837
  • Full Formula: Zn1 Ni3 N1
  • Reduced Formula: ZnNi3N
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m