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-18680
  • 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: ['Zr', 'Cu', 'Hg']
  • Chemical System: Cu-Hg-Zr
  • Density: 12.089063854254212
  • Atomic Density: 0.05238028183261502
  • Unit Cell Volume: 76.36461393587551
  • Molar Volume: 11.4969613551225
  • Full Formula: Zr1 Cu1 Hg2
  • Reduced Formula: ZrCuHg2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m