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  1. Third-Parties
  2. MatprojStructure
  3. mp-540861

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-540861
  • 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: 56
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Al', 'Si', 'O']
  • Chemical System: Al-K-Na-O-Si
  • Density: 2.3557545740960233
  • Atomic Density: 0.06798038899519326
  • Unit Cell Volume: 823.7669837982191
  • Molar Volume: 8.85864416048842
  • Full Formula: K2 Na6 Al8 Si8 O32
  • Reduced Formula: KNa3Al4(SiO4)4
  • Formula Anonymous: AB3C4D4E16
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -372.06349077
  • Final energy per atom: -6.643990906607143
  • 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.