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  1. Third-Parties
  2. MatprojStructure
  3. mp-557322

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-557322
  • 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: 17
  • Number of elements: 4
  • Element list: ['Bi', 'Te', 'Br', 'O']
  • Chemical System: Bi-Br-O-Te
  • Density: 7.280071268021938
  • Atomic Density: 0.05342995962634951
  • Unit Cell Volume: 318.1735512975436
  • Molar Volume: 11.271093600134636
  • Full Formula: Bi4 Te2 Br2 O9
  • Reduced Formula: Bi4Te2Br2O9
  • Formula Anonymous: A2B2C4D9
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -93.89183708
  • Final energy per atom: -5.52304924
  • 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.