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  1. Third-Parties
  2. MatprojStructure
  3. mp-1235843

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-1235843
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'O', 'F']
  • Chemical System: F-Fe-Li-O
  • Density: 4.157951574151056
  • Atomic Density: 0.08526150228024833
  • Unit Cell Volume: 222.84383328771747
  • Molar Volume: 7.06314174503478
  • Full Formula: Li1 Fe6 O4 F8
  • Reduced Formula: LiFe6(OF2)4
  • Formula Anonymous: AB4C6D8
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -128.89216446
  • Final energy per atom: -6.783798129473684
  • 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.