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  1. Third-Parties
  2. MatprojStructure
  3. mp-770642

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-770642
  • 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: 44
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'S', 'O', 'F']
  • Chemical System: F-Li-Mn-O-S
  • Density: 2.8285811649605246
  • Atomic Density: 0.08444973185530368
  • Unit Cell Volume: 521.0200083925628
  • Molar Volume: 7.131035975719078
  • Full Formula: Li8 Mn4 S4 O16 F12
  • Reduced Formula: Li2MnSO4F3
  • Formula Anonymous: ABC2D3E4
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -276.13954926
  • Final energy per atom: -6.275898846818182
  • 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.