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-67744
  • 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: 3
  • Number of elements: 3
  • Element list: ['Zr', 'Be', 'Hg']
  • Chemical System: Be-Hg-Zr
  • Density: 9.639503252031156
  • Atomic Density: 0.057891017072713144
  • Unit Cell Volume: 51.82151137942343
  • Molar Volume: 10.402547864094322
  • Full Formula: Zr1 Be1 Hg1
  • Reduced Formula: ZrBeHg
  • Formula Anonymous: ABC
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm