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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-119432
  • 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: 17
  • Number of elements: 3
  • Element list: ['Ba', 'Hf', 'S']
  • Chemical System: Ba-Hf-S
  • Density: 5.273278249128945
  • Atomic Density: 0.03841244134853429
  • Unit Cell Volume: 442.5649451892667
  • Molar Volume: 15.677578796302642
  • Full Formula: Ba4 Hf3 S10
  • Reduced Formula: Ba4Hf3S10
  • Formula Anonymous: A3B4C10
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm