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  1. Third-Parties
  2. MatprojStructure
  3. mp-758932

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-758932
  • 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: 88
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'H', 'O']
  • Chemical System: Fe-H-Li-O
  • Density: 2.3354934071087734
  • Atomic Density: 0.09945731956041945
  • Unit Cell Volume: 884.8016454589928
  • Molar Volume: 6.055000060947351
  • Full Formula: Li40 Fe8 H8 O32
  • Reduced Formula: Li5FeHO4
  • Formula Anonymous: ABC4D5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -492.37162626
  • Final energy per atom: -5.59513211659091
  • 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.