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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29248
  • 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: 24
  • Number of elements: 3
  • Element list: ['Hg', 'P', 'Br']
  • Chemical System: Br-Hg-P
  • Density: 6.535482719954607
  • Atomic Density: 0.041139966318409944
  • Unit Cell Volume: 583.374323018347
  • Molar Volume: 14.638176204109142
  • Full Formula: Hg8 P12 Br4
  • Reduced Formula: Hg2P3Br
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm