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  1. Third-Parties
  2. MatprojStructure
  3. mp-774361

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-774361
  • 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: 52
  • Number of elements: 3
  • Element list: ['Li', 'Mn', 'F']
  • Chemical System: F-Li-Mn
  • Density: 3.1774145367558586
  • Atomic Density: 0.07522389041480708
  • Unit Cell Volume: 691.2697510492533
  • Molar Volume: 8.005622584516848
  • Full Formula: Li8 Mn12 F32
  • Reduced Formula: Li2Mn3F8
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 212
  • Spacegroup Symbol: P4_332
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -342.61584354
  • Final energy per atom: -6.588766221923077
  • 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.