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-68136
  • 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: ['Be', 'Si', 'Hg']
  • Chemical System: Be-Hg-Si
  • Density: 6.602666850339203
  • Atomic Density: 0.05984379443953001
  • Unit Cell Volume: 66.84068143509609
  • Molar Volume: 10.063099802411687
  • Full Formula: Be1 Si2 Hg1
  • Reduced Formula: BeSi2Hg
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2