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  1. Third-Parties
  2. MatprojStructure
  3. mp-1111652

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-1111652
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['K', 'Na', 'Al', 'Cl']
  • Chemical System: Al-Cl-K-Na
  • Density: 2.1517868484718665
  • Atomic Density: 0.038013784060719105
  • Unit Cell Volume: 263.062471866181
  • Molar Volume: 15.84199234251682
  • Full Formula: K2 Na1 Al1 Cl6
  • Reduced Formula: K2NaAlCl6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -39.59690018
  • Final energy per atom: -3.959690018
  • 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.