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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-26739
  • 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: 50
  • Number of elements: 4
  • Element list: ['Hg', 'As', 'S', 'Br']
  • Chemical System: As-Br-Hg-S
  • Density: 4.59424038184588
  • Atomic Density: 0.035707179299235864
  • Unit Cell Volume: 1400.2786269110313
  • Molar Volume: 16.865349988955508
  • Full Formula: Hg6 As16 S16 Br12
  • Reduced Formula: Hg3As8(S4Br3)2
  • Formula Anonymous: A3B6C8D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m