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-50084
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 23
  • Number of elements: 3
  • Element list: ['Cd', 'B', 'O']
  • Chemical System: B-Cd-O
  • Density: 4.941422119468792
  • Atomic Density: 0.09473086864939001
  • Unit Cell Volume: 242.79308664555458
  • Molar Volume: 6.357104971019156
  • Full Formula: Cd4 B6 O13
  • Reduced Formula: Cd4B6O13
  • Formula Anonymous: A4B6C13
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m