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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-15987
  • 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: 6
  • Number of elements: 3
  • Element list: ['Hf', 'Si', 'S']
  • Chemical System: Hf-S-Si
  • Density: 7.853358685469705
  • Atomic Density: 0.05945432329258145
  • Unit Cell Volume: 100.91780828911838
  • Molar Volume: 10.12902077846276
  • Full Formula: Hf2 Si2 S2
  • Reduced Formula: HfSiS
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm