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  1. Third-Parties
  2. MatprojStructure
  3. mp-554879

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-554879
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Cu', 'Hg', 'S', 'Br']
  • Chemical System: Br-Cu-Hg-S
  • Density: 6.294288447261263
  • Atomic Density: 0.04031330721638728
  • Unit Cell Volume: 793.7825549324334
  • Molar Volume: 14.938344620736084
  • Full Formula: Cu8 Hg8 S8 Br8
  • Reduced Formula: CuHgSBr
  • Formula Anonymous: ABCD
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -98.68472674
  • Final energy per atom: -3.083897710625
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.