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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120849
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ba', 'C', 'N']
  • Chemical System: Ba-C-N
  • Density: 3.6777258798999926
  • Atomic Density: 0.040676845241905596
  • Unit Cell Volume: 73.75203219814543
  • Molar Volume: 14.804837307776134
  • Full Formula: Ba1 C1 N1
  • Reduced Formula: BaCN
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2