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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-111613
  • 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: 13
  • Number of elements: 5
  • Element list: ['Hg', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-Hg-N
  • Density: 3.322841739675972
  • Atomic Density: 0.07315963343635883
  • Unit Cell Volume: 177.69361858966434
  • Molar Volume: 8.231507563851626
  • Full Formula: Hg1 H4 C2 N4 Cl2
  • Reduced Formula: HgH4C2(N2Cl)2
  • Formula Anonymous: AB2C2D4E4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1