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  1. Third-Parties
  2. MatprojStructure
  3. mp-542451

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-542451
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Rb', 'Na', 'Al', 'F']
  • Chemical System: Al-F-Na-Rb
  • Density: 3.2514670909587267
  • Atomic Density: 0.07009121764011988
  • Unit Cell Volume: 513.6164160371751
  • Molar Volume: 8.591862094507194
  • Full Formula: Rb4 Na2 Al6 F24
  • Reduced Formula: Rb2NaAl3F12
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -206.30015041
  • Final energy per atom: -5.730559733611111
  • 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.