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-22966
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Hf', 'Ge', 'Pd']
  • Chemical System: Ge-Hf-Pd
  • Density: 11.632260147704217
  • Atomic Density: 0.05877592615630374
  • Unit Cell Volume: 306.2478326948404
  • Molar Volume: 10.245930866295884
  • Full Formula: Hf6 Ge6 Pd6
  • Reduced Formula: HfGePd
  • Formula Anonymous: ABC
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m