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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-66187
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Hf', 'Ni']
  • Chemical System: Ba-Hf-Ni
  • Density: 6.8790346873083745
  • Atomic Density: 0.03237474650676933
  • Unit Cell Volume: 123.55309096130308
  • Molar Volume: 18.60135262755127
  • Full Formula: Ba2 Hf1 Ni1
  • Reduced Formula: Ba2HfNi
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m