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  1. Third-Parties
  2. MatprojStructure
  3. mp-28647

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-28647
  • 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: 24
  • Number of elements: 3
  • Element list: ['As', 'Br', 'F']
  • Chemical System: As-Br-F
  • Density: 3.0094765981934897
  • Atomic Density: 0.036959562572716466
  • Unit Cell Volume: 649.3583346063947
  • Molar Volume: 16.2938637278287
  • Full Formula: As2 Br10 F12
  • Reduced Formula: AsBr5F6
  • Formula Anonymous: AB5C6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -81.98736448
  • Final energy per atom: -3.4161401866666665
  • 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.