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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29547
  • 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: 19
  • Number of elements: 4
  • Element list: ['Hg', 'B', 'C', 'N']
  • Chemical System: B-C-Hg-N
  • Density: 2.2777580003285642
  • Atomic Density: 0.06056044614230555
  • Unit Cell Volume: 313.7361299379071
  • Molar Volume: 9.944016505177508
  • Full Formula: Hg1 B2 C8 N8
  • Reduced Formula: HgB2(CN)8
  • Formula Anonymous: AB2C8D8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1