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-46784
  • Created at: Sept. 4, 2022, 3:30 p.m.
  • Last updated at: Sept. 4, 2022, 3:30 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Cs', 'Cu', 'S', 'Te']
  • Chemical System: Cs-Cu-S-Te
  • Density: 3.3592430463178826
  • Atomic Density: 0.03224071207771738
  • Unit Cell Volume: 1736.9343414317282
  • Molar Volume: 18.678684098178152
  • Full Formula: Cs12 Cu4 Te4 S36
  • Reduced Formula: Cs3CuTeS9
  • Formula Anonymous: ABC3D9
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm