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  1. Third-Parties
  2. MatprojStructure
  3. mp-14536

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-14536
  • 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: 168
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Zn', 'P', 'O']
  • Chemical System: K-Na-O-P-Zn
  • Density: 3.2628015697386643
  • Atomic Density: 0.07287464955122502
  • Unit Cell Volume: 2305.3284102849716
  • Molar Volume: 8.263697729025674
  • Full Formula: K8 Na16 Zn24 P24 O96
  • Reduced Formula: KNa2Zn3(PO4)3
  • Formula Anonymous: AB2C3D3E12
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -1084.9210365
  • Final energy per atom: -6.4578633125
  • 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.