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  1. Third-Parties
  2. MatprojStructure
  3. mp-568357

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-568357
  • 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: 50
  • Number of elements: 4
  • Element list: ['K', 'La', 'Os', 'I']
  • Chemical System: I-K-La-Os
  • Density: 4.26688075765314
  • Atomic Density: 0.021726582754275768
  • Unit Cell Volume: 2301.328311290005
  • Molar Volume: 27.717846051123008
  • Full Formula: K8 La12 Os2 I28
  • Reduced Formula: K4La6OsI14
  • Formula Anonymous: AB4C6D14
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -213.3262257
  • Final energy per atom: -4.266524514
  • 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.