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-58844
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Hg', 'As', 'Cl']
  • Chemical System: As-Cl-Hg
  • Density: 6.862707939133815
  • Atomic Density: 0.03777661701456751
  • Unit Cell Volume: 529.4280319565818
  • Molar Volume: 15.941450653661569
  • Full Formula: Hg8 As4 Cl8
  • Reduced Formula: Hg2AsCl2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m