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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-27213
  • 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: 22
  • Number of elements: 4
  • Element list: ['Ni', 'Hg', 'O', 'F']
  • Chemical System: F-Hg-Ni-O
  • Density: 7.538438199042752
  • Atomic Density: 0.07699757905265281
  • Unit Cell Volume: 285.72326910377103
  • Molar Volume: 7.821207931592128
  • Full Formula: Ni4 Hg4 O2 F12
  • Reduced Formula: Ni2Hg2OF6
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m