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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223525

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-1223525
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['K', 'La', 'Cu', 'O']
  • Chemical System: Cu-K-La-O
  • Density: 6.5759337336576404
  • Atomic Density: 0.07287234172866429
  • Unit Cell Volume: 384.2335697713172
  • Molar Volume: 8.263959435286262
  • Full Formula: K1 La7 Cu4 O16
  • Reduced Formula: KLa7(CuO4)4
  • Formula Anonymous: AB4C7D16
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -208.95476329
  • Final energy per atom: -7.462670117499999
  • 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.