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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1739669
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Cr', 'S', 'Te']
  • Chemical System: Cr-S-Te
  • Density: 5.821219078250752
  • Atomic Density: 0.04968726047838477
  • Unit Cell Volume: 241.51059817878883
  • Molar Volume: 12.12009014387055
  • Full Formula: Cr4 Te4 S4
  • Reduced Formula: CrTeS
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m