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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215079

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-1215079
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 3
  • Element list: ['Al', 'N', 'F']
  • Chemical System: Al-F-N
  • Density: 0.44223346299307065
  • Atomic Density: 0.014558148686118651
  • Unit Cell Volume: 2335.461790716519
  • Molar Volume: 41.36611659793099
  • Full Formula: Al2 N8 F24
  • Reduced Formula: Al(NF3)4
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -138.84638216
  • Final energy per atom: -4.083717122352941
  • 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.