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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-122125
  • 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: 12
  • Number of elements: 3
  • Element list: ['Hf', 'Ni', 'As']
  • Chemical System: As-Hf-Ni
  • Density: 11.337224508575117
  • Atomic Density: 0.06562633906085004
  • Unit Cell Volume: 182.85341178140933
  • Molar Volume: 9.176408201615745
  • Full Formula: Hf4 Ni4 As4
  • Reduced Formula: HfNiAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm