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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245348

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-1245348
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 3
  • Element list: ['Al', 'W', 'N']
  • Chemical System: Al-N-W
  • Density: 4.456495135053634
  • Atomic Density: 0.08370773972941037
  • Unit Cell Volume: 1242.417969188816
  • Molar Volume: 7.194246051161916
  • Full Formula: Al40 W8 N56
  • Reduced Formula: Al5WN7
  • Formula Anonymous: AB5C7
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -822.1243595
  • Final energy per atom: -7.90504191826923
  • 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.