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-21564
  • 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: 12
  • Number of elements: 3
  • Element list: ['Hf', 'Si', 'Pd']
  • Chemical System: Hf-Pd-Si
  • Density: 10.616140290156169
  • Atomic Density: 0.061277453999167265
  • Unit Cell Volume: 195.83059048378666
  • Molar Volume: 9.827661508393998
  • Full Formula: Hf4 Si4 Pd4
  • Reduced Formula: HfSiPd
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm