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-29648
  • 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: 18
  • Number of elements: 2
  • Element list: ['Cd', 'I']
  • Chemical System: Cd-I
  • Density: 5.556343686938783
  • Atomic Density: 0.027410646022097668
  • Unit Cell Volume: 656.6791598231184
  • Molar Volume: 21.970079636740866
  • Full Formula: Cd6 I12
  • Reduced Formula: CdI2
  • Formula Anonymous: AB2
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1