Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
Table mix-ins: ['Structure'] Extra columns: ['mineral_name', 'aflow_id', 'pearson_symbol', 'strukturbericht_symbol', 'nsites_wyckoff']

Base Information:

  • Database Entry ID: 44
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: AFLOW Prototypes

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Hg', 'Cl']
  • Chemical System: Cl-Hg
  • Density: 5.490636006730003
  • Atomic Density: 0.03653687299910025
  • Unit Cell Volume: 328.435331625
  • Molar Volume: 16.48236498002525
  • Full Formula: Hg4 Cl8
  • Reduced Formula: HgCl2
  • Formula Anonymous: AB2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm