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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59662
  • 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: 16
  • Number of elements: 5
  • Element list: ['Li', 'Fe', 'Cu', 'C', 'N']
  • Chemical System: C-Cu-Fe-Li-N
  • Density: 1.7810687818931092
  • Atomic Density: 0.05930440683485949
  • Unit Cell Volume: 269.79445295783825
  • Molar Volume: 10.154626074870626
  • Full Formula: Li2 Fe1 Cu1 C6 N6
  • Reduced Formula: Li2FeCu(CN)6
  • Formula Anonymous: ABC2D6E6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m