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-100135
  • 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: 4
  • Number of elements: 3
  • Element list: ['Cu', 'Ni', 'O']
  • Chemical System: Cu-Ni-O
  • Density: 6.6334292232226115
  • Atomic Density: 0.10359935351307006
  • Unit Cell Volume: 38.61027954672865
  • Molar Volume: 5.812913455333724
  • Full Formula: Cu1 Ni1 O2
  • Reduced Formula: CuNiO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m