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-17278
  • 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: 6
  • Number of elements: 3
  • Element list: ['Hf', 'Si', 'Se']
  • Chemical System: Hf-Se-Si
  • Density: 8.606458176094106
  • Atomic Density: 0.054454842847284496
  • Unit Cell Volume: 110.18303765611184
  • Molar Volume: 11.0589627021581
  • Full Formula: Hf2 Si2 Se2
  • Reduced Formula: HfSiSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm