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  1. Third-Parties
  2. MatprojStructure
  3. mp-540728

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-540728
  • 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: 30
  • Number of elements: 3
  • Element list: ['K', 'Zn', 'O']
  • Chemical System: K-O-Zn
  • Density: 4.711825807364052
  • Atomic Density: 0.07305102612412825
  • Unit Cell Volume: 410.6718494141892
  • Molar Volume: 8.243745611139238
  • Full Formula: K4 Zn12 O14
  • Reduced Formula: K2Zn6O7
  • Formula Anonymous: A2B6C7
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -140.79305694
  • Final energy per atom: -4.693101898
  • 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.