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  1. Third-Parties
  2. MatprojStructure
  3. mp-22880

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-22880
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Fe', 'Br']
  • Chemical System: Br-Fe
  • Density: 4.536917402245609
  • Atomic Density: 0.03800821953173638
  • Unit Cell Volume: 78.93029552449933
  • Molar Volume: 15.844311662564433
  • Full Formula: Fe1 Br2
  • Reduced Formula: FeBr2
  • Formula Anonymous: AB2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -14.13388222
  • Final energy per atom: -4.711294073333334
  • 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.