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-36597
  • 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: ['Hg', 'Os', 'O']
  • Chemical System: Hg-O-Os
  • Density: 11.82394042947815
  • Atomic Density: 0.0811331818379221
  • Unit Cell Volume: 61.62706659265977
  • Molar Volume: 7.422537392937815
  • Full Formula: Hg1 Os1 O3
  • Reduced Formula: HgOsO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m