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  1. Third-Parties
  2. MatprojStructure
  3. mp-557939

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-557939
  • 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: 15
  • Number of elements: 3
  • Element list: ['La', 'Ni', 'O']
  • Chemical System: La-Ni-O
  • Density: 6.86802263367009
  • Atomic Density: 0.07216528425643104
  • Unit Cell Volume: 207.8561756467171
  • Molar Volume: 8.344927650532098
  • Full Formula: La4 Ni3 O8
  • Reduced Formula: La4Ni3O8
  • Formula Anonymous: A3B4C8
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -116.81849827
  • Final energy per atom: -7.787899884666667
  • 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.