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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91359
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Hg', 'C', 'N']
  • Chemical System: C-Hg-N
  • Density: 6.447683820236264
  • Atomic Density: 0.0645495996366892
  • Unit Cell Volume: 495.7428114211199
  • Molar Volume: 9.329478097300374
  • Full Formula: Hg8 C8 N16
  • Reduced Formula: HgCN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm