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  1. Third-Parties
  2. MatprojStructure
  3. mp-27987

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-27987
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Br', 'F']
  • Chemical System: Br-F
  • Density: 2.8769064532239756
  • Atomic Density: 0.05943578138676756
  • Unit Cell Volume: 201.8985823020005
  • Molar Volume: 10.132180682225766
  • Full Formula: Br2 F10
  • Reduced Formula: BrF5
  • Formula Anonymous: AB5
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -38.33462697
  • Final energy per atom: -3.1945522475000003
  • 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.