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  1. Third-Parties
  2. MatprojStructure
  3. mp-36806

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-36806
  • 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: 43
  • Number of elements: 3
  • Element list: ['Fe', 'Ni', 'O']
  • Chemical System: Fe-Ni-O
  • Density: 5.2613550298996286
  • Atomic Density: 0.09282006277177617
  • Unit Cell Volume: 463.261914676005
  • Molar Volume: 6.487973160293052
  • Full Formula: Fe11 Ni8 O24
  • Reduced Formula: Fe11(NiO3)8
  • Formula Anonymous: A8B11C24
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -317.89792449
  • Final energy per atom: -7.392974988139534
  • 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.