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  1. Third-Parties
  2. MatprojStructure
  3. mp-753529

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-753529
  • 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: 22
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'O', 'F']
  • Chemical System: F-Li-Mn-O
  • Density: 3.2809191500278487
  • Atomic Density: 0.08992480923318842
  • Unit Cell Volume: 244.6488370406294
  • Molar Volume: 6.696862424677145
  • Full Formula: Li6 Mn4 O2 F10
  • Reduced Formula: Li3Mn2OF5
  • Formula Anonymous: AB2C3D5
  • Spacegroup Number: 22
  • Spacegroup Symbol: F222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -138.66215482
  • Final energy per atom: -6.302825219090909
  • 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.