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-107269
  • 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: 10
  • Number of elements: 3
  • Element list: ['Zn', 'Ni', 'O']
  • Chemical System: Ni-O-Zn
  • Density: 6.807797133934435
  • Atomic Density: 0.1078372238285421
  • Unit Cell Volume: 92.73235757533683
  • Molar Volume: 5.584473103253307
  • Full Formula: Zn1 Ni4 O5
  • Reduced Formula: ZnNi4O5
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m