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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246158

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-1246158
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 3
  • Element list: ['Al', 'W', 'N']
  • Chemical System: Al-N-W
  • Density: 5.799518546892043
  • Atomic Density: 0.07224881537329125
  • Unit Cell Volume: 373.70854955195966
  • Molar Volume: 8.335279587471616
  • Full Formula: Al6 W5 N16
  • Reduced Formula: Al6W5N16
  • Formula Anonymous: A5B6C16
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -243.55512201
  • Final energy per atom: -9.020560074444445
  • 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.