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-92451
  • 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: 6
  • Number of elements: 2
  • Element list: ['Ni', 'O']
  • Chemical System: Ni-O
  • Density: 5.3398176989200765
  • Atomic Density: 0.10637232472058948
  • Unit Cell Volume: 56.40564889185539
  • Molar Volume: 5.661379288098187
  • Full Formula: Ni2 O4
  • Reduced Formula: NiO2
  • Formula Anonymous: AB2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm