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-19785
  • 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: 8
  • Number of elements: 2
  • Element list: ['Zr', 'Hg']
  • Chemical System: Hg-Zr
  • Density: 9.031032146628576
  • Atomic Density: 0.04587012816871427
  • Unit Cell Volume: 174.40544248263953
  • Molar Volume: 13.12867654925674
  • Full Formula: Zr6 Hg2
  • Reduced Formula: Zr3Hg
  • Formula Anonymous: AB3
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m