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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86732
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 5
  • Element list: ['K', 'Hg', 'C', 'I', 'N']
  • Chemical System: C-Hg-I-K-N
  • Density: 4.064827836205717
  • Atomic Density: 0.0409320288730136
  • Unit Cell Volume: 342.03044377382844
  • Molar Volume: 14.712539118651861
  • Full Formula: K2 Hg2 C4 I2 N4
  • Reduced Formula: KHgC2IN2
  • Formula Anonymous: ABCD2E2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm