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-104862
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Na', 'Tl', 'Hg']
  • Chemical System: Hg-Na-Tl
  • Density: 9.810430671915391
  • Atomic Density: 0.03759733096878376
  • Unit Cell Volume: 106.39053084170024
  • Molar Volume: 16.017468806496005
  • Full Formula: Na1 Tl1 Hg2
  • Reduced Formula: NaTlHg2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m