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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97647
  • 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: 54
  • Number of elements: 4
  • Element list: ['Hg', 'H', 'Br', 'N']
  • Chemical System: Br-H-Hg-N
  • Density: 3.4433521736103287
  • Atomic Density: 0.07443571238545424
  • Unit Cell Volume: 725.4582279050283
  • Molar Volume: 8.090391785081925
  • Full Formula: Hg2 H32 Br12 N8
  • Reduced Formula: HgH16(Br3N2)2
  • Formula Anonymous: AB4C6D16
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm