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-51310
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Hf', 'As']
  • Chemical System: As-Ba-Hf
  • Density: 10.471142450902528
  • Atomic Density: 0.04431168341094467
  • Unit Cell Volume: 90.26964656034775
  • Molar Volume: 13.5904129485466
  • Full Formula: Ba1 Hf2 As1
  • Reduced Formula: BaHf2As
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m