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  1. Third-Parties
  2. MatprojStructure
  3. mp-530137

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-530137
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 3
  • Element list: ['Al', 'Ni', 'O']
  • Chemical System: Al-Ni-O
  • Density: 4.3773442230329715
  • Atomic Density: 0.10445662191957054
  • Unit Cell Volume: 804.1615596632856
  • Molar Volume: 5.765207269135052
  • Full Formula: Al24 Ni12 O48
  • Reduced Formula: Al2NiO4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -631.4416222799999
  • Final energy per atom: -7.517162169999999
  • 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.