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  1. Third-Parties
  2. MatprojStructure
  3. mp-541900

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-541900
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 4
  • Element list: ['Al', 'H', 'N', 'F']
  • Chemical System: Al-F-H-N
  • Density: 1.7925564359831887
  • Atomic Density: 0.12587314281790524
  • Unit Cell Volume: 889.7847268501521
  • Molar Volume: 4.784293634990864
  • Full Formula: Al4 H60 N24 F24
  • Reduced Formula: AlH15(NF)6
  • Formula Anonymous: AB6C6D15
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -597.21637771
  • Final energy per atom: -5.332289086696428
  • 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.