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  1. Third-Parties
  2. MatprojStructure
  3. mp-651332

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-651332
  • 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: 80
  • Number of elements: 2
  • Element list: ['Se', 'Br']
  • Chemical System: Br-Se
  • Density: 3.351731375743245
  • Atomic Density: 0.025320890045323403
  • Unit Cell Volume: 3159.4466014742425
  • Molar Volume: 23.783290197226894
  • Full Formula: Se16 Br64
  • Reduced Formula: SeBr4
  • Formula Anonymous: AB4
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -214.31182706
  • Final energy per atom: -2.67889783825
  • 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.