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  1. Third-Parties
  2. MatprojStructure
  3. mp-568828

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-568828
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Hg', 'Bi', 'Sb', 'Br']
  • Chemical System: Bi-Br-Hg-Sb
  • Density: 6.8027875793931845
  • Atomic Density: 0.02998965706607798
  • Unit Cell Volume: 2400.827720082232
  • Molar Volume: 20.0807256539515
  • Full Formula: Hg24 Bi4 Sb16 Br28
  • Reduced Formula: Hg6BiSb4Br7
  • Formula Anonymous: AB4C6D7
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -180.21321245
  • Final energy per atom: -2.5029612840277777
  • 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.