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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-31941
  • 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: 21
  • Number of elements: 4
  • Element list: ['Cu', 'H', 'I', 'N']
  • Chemical System: Cu-H-I-N
  • Density: 3.327559550408129
  • Atomic Density: 0.06582651559281352
  • Unit Cell Volume: 319.0203797190297
  • Molar Volume: 9.1485030094126
  • Full Formula: Cu1 H12 I4 N4
  • Reduced Formula: CuH12(IN)4
  • Formula Anonymous: AB4C4D12
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m