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-36613
  • 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: 5
  • Number of elements: 3
  • Element list: ['Si', 'Hg', 'O']
  • Chemical System: Hg-O-Si
  • Density: 9.364133858943392
  • Atomic Density: 0.1019109012051507
  • Unit Cell Volume: 49.062464769444055
  • Molar Volume: 5.909221377482661
  • Full Formula: Si1 Hg1 O3
  • Reduced Formula: SiHgO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m