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-116627
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ce', 'S', 'Cl']
  • Chemical System: Ce-Cl-S
  • Density: 4.302808090097439
  • Atomic Density: 0.037439122673726184
  • Unit Cell Volume: 641.0406624416598
  • Molar Volume: 16.085154592113838
  • Full Formula: Ce8 S8 Cl8
  • Reduced Formula: CeSCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm