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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180825

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-1180825
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['K', 'I', 'Br', 'O']
  • Chemical System: Br-I-K-O
  • Density: 2.876620753192866
  • Atomic Density: 0.025340695823724703
  • Unit Cell Volume: 789.2443103821724
  • Molar Volume: 23.764701655752862
  • Full Formula: K4 I4 Br8 O4
  • Reduced Formula: KIBr2O
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -59.20585991
  • Final energy per atom: -2.9602929955
  • 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.