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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247331

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-1247331
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Y', 'Al', 'N']
  • Chemical System: Al-N-Y
  • Density: 4.037946085253768
  • Atomic Density: 0.07891354100356027
  • Unit Cell Volume: 152.0651569729789
  • Molar Volume: 7.631314833189788
  • Full Formula: Y2 Al4 N6
  • Reduced Formula: YAl2N3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -96.94707578
  • Final energy per atom: -8.078922981666667
  • 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.