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-30291
  • 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: 12
  • Number of elements: 3
  • Element list: ['Co', 'Ni', 'O']
  • Chemical System: Co-Ni-O
  • Density: 5.041583717438181
  • Atomic Density: 0.10023256236588471
  • Unit Cell Volume: 119.72157267810542
  • Molar Volume: 6.0081680223010085
  • Full Formula: Co3 Ni1 O8
  • Reduced Formula: Co3NiO8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m