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-77355
  • 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', 'Zn', 'Tc']
  • Chemical System: Hf-Tc-Zn
  • Density: 12.194255142764069
  • Atomic Density: 0.056446635850071286
  • Unit Cell Volume: 70.86339052382957
  • Molar Volume: 10.668732811633795
  • Full Formula: Hf2 Zn1 Tc1
  • Reduced Formula: Hf2ZnTc
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m