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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197533

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-1197533
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'H', 'O', 'F']
  • Chemical System: F-H-Li-Mn-O
  • Density: 2.7659599597826268
  • Atomic Density: 0.09616715962536837
  • Unit Cell Volume: 374.34816771382935
  • Molar Volume: 6.2621593311687995
  • Full Formula: Li4 Mn4 H8 O4 F16
  • Reduced Formula: LiMnH2OF4
  • Formula Anonymous: ABCD2E4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -207.34812525
  • Final energy per atom: -5.759670145833334
  • 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.