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-94957
  • 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: 7
  • Number of elements: 2
  • Element list: ['Ni', 'O']
  • Chemical System: Ni-O
  • Density: 6.9429610593987325
  • Atomic Density: 0.10350410530237787
  • Unit Cell Volume: 67.63016770735938
  • Molar Volume: 5.818262707944638
  • Full Formula: Ni4 O3
  • Reduced Formula: Ni4O3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m