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  1. Third-Parties
  2. MatprojStructure
  3. mp-567828

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-567828
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 4
  • Element list: ['K', 'La', 'Os', 'I']
  • Chemical System: I-K-La-Os
  • Density: 4.332141028640489
  • Atomic Density: 0.022058882332985575
  • Unit Cell Volume: 4533.321248577758
  • Molar Volume: 27.300298669234206
  • Full Formula: K16 La24 Os4 I56
  • Reduced Formula: K4La6OsI14
  • Formula Anonymous: AB4C6D14
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -426.12242202
  • Final energy per atom: -4.2612242202
  • 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.