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  1. Third-Parties
  2. MatprojStructure
  3. mp-13997

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-13997
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['Rb', 'Al', 'F']
  • Chemical System: Al-F-Rb
  • Density: 3.469848985277864
  • Atomic Density: 0.06653234474603219
  • Unit Cell Volume: 901.8170068863872
  • Molar Volume: 9.051448258719521
  • Full Formula: Rb10 Al10 F40
  • Reduced Formula: RbAlF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -342.05054961
  • Final energy per atom: -5.700842493500001
  • 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.