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  1. Third-Parties
  2. MatprojStructure
  3. mp-545359

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-545359
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['K', 'Na', 'Cu', 'O']
  • Chemical System: Cu-K-Na-O
  • Density: 2.843575562112736
  • Atomic Density: 0.05688460462934182
  • Unit Cell Volume: 105.47669337065449
  • Molar Volume: 10.586591572957335
  • Full Formula: K1 Na2 Cu1 O2
  • Reduced Formula: KNa2CuO2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -25.81970183
  • Final energy per atom: -4.303283638333333
  • 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.