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  1. Third-Parties
  2. MatprojStructure
  3. mp-1044026

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-1044026
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['La', 'Zn', 'Fe', 'Ni', 'O']
  • Chemical System: Fe-La-Ni-O-Zn
  • Density: 6.208535595381433
  • Atomic Density: 0.09012592762132164
  • Unit Cell Volume: 221.91172427132364
  • Molar Volume: 6.681918199281097
  • Full Formula: La2 Zn2 Fe2 Ni2 O12
  • Reduced Formula: LaZnFeNiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -138.48858131
  • Final energy per atom: -6.9244290655
  • 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.