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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-95425
  • 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: 16
  • Number of elements: 4
  • Element list: ['Cu', 'Hg', 'S', 'I']
  • Chemical System: Cu-Hg-I-S
  • Density: 6.544048031356332
  • Atomic Density: 0.03725707294556858
  • Unit Cell Volume: 429.448658604381
  • Molar Volume: 16.1637516956798
  • Full Formula: Cu4 Hg4 S4 I4
  • Reduced Formula: CuHgSI
  • Formula Anonymous: ABCD
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2