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  1. Third-Parties
  2. MatprojStructure
  3. mp-23083

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-23083
  • 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: 12
  • Number of elements: 4
  • Element list: ['K', 'As', 'Br', 'O']
  • Chemical System: As-Br-K-O
  • Density: 3.7390569180910687
  • Atomic Density: 0.0524991931839744
  • Unit Cell Volume: 228.5749412938226
  • Molar Volume: 11.470920589001137
  • Full Formula: K1 As4 Br1 O6
  • Reduced Formula: KAs4BrO6
  • Formula Anonymous: ABC4D6
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -71.62674578000001
  • Final energy per atom: -5.968895481666667
  • 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.