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-17419
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Hf', 'Al', 'Pd']
  • Chemical System: Al-Hf-Pd
  • Density: 10.501633154122981
  • Atomic Density: 0.060473888238918944
  • Unit Cell Volume: 66.14425029521644
  • Molar Volume: 9.958249643561622
  • Full Formula: Hf1 Al1 Pd2
  • Reduced Formula: HfAlPd2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m