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-18459
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Hf', 'H']
  • Chemical System: H-Hf
  • Density: 11.460327829754958
  • Atomic Density: 0.11470381026431939
  • Unit Cell Volume: 26.154318614934468
  • Molar Volume: 5.250166272700787
  • Full Formula: Hf1 H2
  • Reduced Formula: HfH2
  • Formula Anonymous: AB2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm