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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079926

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-1079926
  • 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: 10
  • Number of elements: 4
  • Element list: ['La', 'Zr', 'Ni', 'O']
  • Chemical System: La-Ni-O-Zr
  • Density: 6.533565172559325
  • Atomic Density: 0.07512734484795028
  • Unit Cell Volume: 133.10732623705698
  • Molar Volume: 8.015910547867984
  • Full Formula: La2 Zr1 Ni1 O6
  • Reduced Formula: La2ZrNiO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -85.33204111
  • Final energy per atom: -8.533204111
  • 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.