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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190669

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-1190669
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 4
  • Element list: ['K', 'Ti', 'I', 'O']
  • Chemical System: I-K-O-Ti
  • Density: 3.961990635614677
  • Atomic Density: 0.026556908343475252
  • Unit Cell Volume: 790.7546966083299
  • Molar Volume: 22.676362331459323
  • Full Formula: K4 Ti4 I12 O1
  • Reduced Formula: K4Ti4I12O
  • Formula Anonymous: AB4C4D12
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -89.81975817999998
  • Final energy per atom: -4.277131341904761
  • 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.