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-88169
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ca', 'Cd', 'Sb']
  • Chemical System: Ca-Cd-Sb
  • Density: 4.9099844280362674
  • Atomic Density: 0.033902199979890225
  • Unit Cell Volume: 589.9322171382213
  • Molar Volume: 17.763274252326266
  • Full Formula: Ca8 Cd4 Sb8
  • Reduced Formula: Ca2CdSb2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm