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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97492
  • 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: 28
  • Number of elements: 4
  • Element list: ['Cu', 'H', 'C', 'N']
  • Chemical System: C-Cu-H-N
  • Density: 3.874293239569672
  • Atomic Density: 0.09299066789431851
  • Unit Cell Volume: 301.10548331388776
  • Molar Volume: 6.476070014728797
  • Full Formula: Cu8 H6 C4 N10
  • Reduced Formula: Cu4H3C2N5
  • Formula Anonymous: A2B3C4D5
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm