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  1. Third-Parties
  2. MatprojStructure
  3. mp-852009

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-852009
  • 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: 24
  • Number of elements: 3
  • Element list: ['Nb', 'Al', 'O']
  • Chemical System: Al-Nb-O
  • Density: 4.157997573182261
  • Atomic Density: 0.08170316030779147
  • Unit Cell Volume: 293.7462872866533
  • Molar Volume: 7.370756207365102
  • Full Formula: Nb4 Al4 O16
  • Reduced Formula: NbAlO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -210.75832979
  • Final energy per atom: -8.781597074583333
  • 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.