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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57529
  • 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: 20
  • Number of elements: 5
  • Element list: ['K', 'Hg', 'S', 'Cl', 'O']
  • Chemical System: Cl-Hg-K-O-S
  • Density: 4.721767935361401
  • Atomic Density: 0.04537279155294676
  • Unit Cell Volume: 440.7928036929676
  • Molar Volume: 13.272581549170495
  • Full Formula: K2 Hg4 S2 Cl6 O6
  • Reduced Formula: KHg2S(ClO)3
  • Formula Anonymous: ABC2D3E3
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2