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-31962
  • 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: 28
  • Number of elements: 4
  • Element list: ['Au', 'C', 'S', 'Cl']
  • Chemical System: Au-C-Cl-S
  • Density: 2.931079748718378
  • Atomic Density: 0.046883507109522486
  • Unit Cell Volume: 597.2249459621363
  • Molar Volume: 12.84490246416921
  • Full Formula: Au2 C10 S8 Cl8
  • Reduced Formula: AuC5(SCl)4
  • Formula Anonymous: AB4C4D5
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m