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  1. Third-Parties
  2. MatprojStructure
  3. mp-1380716

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-1380716
  • 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: 40
  • Number of elements: 3
  • Element list: ['Al', 'Ni', 'O']
  • Chemical System: Al-Ni-O
  • Density: 4.270778104478049
  • Atomic Density: 0.10226725306444642
  • Unit Cell Volume: 391.13204668549116
  • Molar Volume: 5.888630602217298
  • Full Formula: Al10 Ni6 O24
  • Reduced Formula: Al5(NiO4)3
  • Formula Anonymous: A3B5C12
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -287.62365371
  • Final energy per atom: -7.1905913427499994
  • 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.