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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97562
  • 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: 36
  • Number of elements: 4
  • Element list: ['H', 'C', 'I', 'N']
  • Chemical System: C-H-I-N
  • Density: 1.9574848391204978
  • Atomic Density: 0.10554055105145653
  • Unit Cell Volume: 341.101118398066
  • Molar Volume: 5.70599707885161
  • Full Formula: H24 C8 I2 N2
  • Reduced Formula: H12C4IN
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm