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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182706

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-1182706
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Nb', 'Al', 'N']
  • Chemical System: Al-N-Nb
  • Density: 0.2727468367355145
  • Atomic Density: 0.0028426403529122567
  • Unit Cell Volume: 8442.854888558884
  • Molar Volume: 211.85025231314884
  • Full Formula: Nb12 Al8 N4
  • Reduced Formula: Nb3Al2N
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 212
  • Spacegroup Symbol: P4_332
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -127.91740184
  • Final energy per atom: -5.3298917433333335
  • 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.