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-16637
  • 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: 6
  • Number of elements: 2
  • Element list: ['Li', 'Ca']
  • Chemical System: Ca-Li
  • Density: 1.108093712804131
  • Atomic Density: 0.037100238970071746
  • Unit Cell Volume: 161.72402568188625
  • Molar Volume: 16.232080782169565
  • Full Formula: Li4 Ca2
  • Reduced Formula: Li2Ca
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m