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-12052
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Co', 'Ni', 'O']
  • Chemical System: Co-Ni-O
  • Density: 5.010861264657902
  • Atomic Density: 0.099643675997697
  • Unit Cell Volume: 180.64367677900626
  • Molar Volume: 6.043675827595107
  • Full Formula: Co4 Ni2 O12
  • Reduced Formula: Co2NiO6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm