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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-92554
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Hg', 'N', 'Cl']
  • Chemical System: Cl-Hg-N
  • Density: 4.352950039079123
  • Atomic Density: 0.04376169473419031
  • Unit Cell Volume: 114.25517293994513
  • Molar Volume: 13.761214680049852
  • Full Formula: Hg1 N2 Cl2
  • Reduced Formula: Hg(NCl)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm