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  1. Third-Parties
  2. MatprojStructure
  3. mp-29554

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-29554
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 2
  • Element list: ['W', 'Br']
  • Chemical System: Br-W
  • Density: 4.4934879405855215
  • Atomic Density: 0.02783229932554858
  • Unit Cell Volume: 1293.4612257117365
  • Molar Volume: 21.637237691217244
  • Full Formula: W6 Br30
  • Reduced Formula: WBr5
  • Formula Anonymous: AB5
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -159.68919770999997
  • Final energy per atom: -4.4358110475
  • 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.