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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-78707
  • 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: 3
  • Number of elements: 3
  • Element list: ['H', 'C', 'N']
  • Chemical System: C-H-N
  • Density: 1.1726048902075112
  • Atomic Density: 0.0783885609631662
  • Unit Cell Volume: 38.270890078077365
  • Molar Volume: 7.68242290202231
  • Full Formula: H1 C1 N1
  • Reduced Formula: HCN
  • Formula Anonymous: ABC
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2