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-98674
  • 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: 56
  • Number of elements: 3
  • Element list: ['Cd', 'B', 'O']
  • Chemical System: B-Cd-O
  • Density: 5.265159609765353
  • Atomic Density: 0.11208001497436128
  • Unit Cell Volume: 499.6430453083916
  • Molar Volume: 5.373072765361058
  • Full Formula: Cd8 B16 O32
  • Reduced Formula: Cd(BO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6