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-81008
  • 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: 4
  • Number of elements: 3
  • Element list: ['Na', 'Tl', 'Hg']
  • Chemical System: Hg-Na-Tl
  • Density: 9.512441174147002
  • Atomic Density: 0.036236633923876514
  • Unit Cell Volume: 110.38552886570345
  • Molar Volume: 16.618929817407732
  • Full Formula: Na1 Tl2 Hg1
  • Reduced Formula: NaTl2Hg
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm