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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29609
  • 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: 18
  • Number of elements: 4
  • Element list: ['Hg', 'As', 'Se', 'I']
  • Chemical System: As-Hg-I-Se
  • Density: 6.945354473130187
  • Atomic Density: 0.03362703155684967
  • Unit Cell Volume: 535.2836443374224
  • Molar Volume: 17.908630292920748
  • Full Formula: Hg6 As2 Se8 I2
  • Reduced Formula: Hg3AsSe4I
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm