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  1. Third-Parties
  2. MatprojStructure
  3. mp-555048

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-555048
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Na', 'Al', 'Cd', 'F']
  • Chemical System: Al-Cd-F-Na
  • Density: 3.864064139456913
  • Atomic Density: 0.07577789808219831
  • Unit Cell Volume: 475.0725595601746
  • Molar Volume: 7.947093958013487
  • Full Formula: Na4 Al4 Cd4 F24
  • Reduced Formula: NaAlCdF6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -186.61779038000003
  • Final energy per atom: -5.183827510555556
  • 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.