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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105366

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-1105366
  • 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: 18
  • Number of elements: 4
  • Element list: ['K', 'Au', 'I', 'O']
  • Chemical System: Au-I-K-O
  • Density: 4.941544346170101
  • Atomic Density: 0.05724806659713671
  • Unit Cell Volume: 314.42109873628954
  • Molar Volume: 10.519378413909966
  • Full Formula: K1 Au1 I4 O12
  • Reduced Formula: KAu(IO3)4
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -86.30677637
  • Final energy per atom: -4.794820909444444
  • 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.