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  1. Third-Parties
  2. MatprojStructure
  3. mp-1111743

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-1111743
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Na', 'Al', 'Hg', 'Br']
  • Chemical System: Al-Br-Hg-Na
  • Density: 3.806802739860191
  • Atomic Density: 0.030446030218398316
  • Unit Cell Volume: 328.45004515423074
  • Molar Volume: 19.77972404547133
  • Full Formula: Na2 Al1 Hg1 Br6
  • Reduced Formula: Na2AlHgBr6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -29.06807294
  • Final energy per atom: -2.906807294
  • 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.