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-69026
  • 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: ['Ba', 'Sn', 'Hg']
  • Chemical System: Ba-Hg-Sn
  • Density: 6.606397625830391
  • Atomic Density: 0.026793089318721087
  • Unit Cell Volume: 149.2922280225852
  • Molar Volume: 22.476470288150608
  • Full Formula: Ba2 Sn1 Hg1
  • Reduced Formula: Ba2SnHg
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m