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-111592
  • 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: 28
  • Number of elements: 3
  • Element list: ['Be', 'Co', 'O']
  • Chemical System: Be-Co-O
  • Density: 5.265803364758274
  • Atomic Density: 0.11629521971768333
  • Unit Cell Volume: 240.7665600355063
  • Molar Volume: 5.178321838695749
  • Full Formula: Be4 Co8 O16
  • Reduced Formula: Be(CoO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm