Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-763504

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-763504
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'O', 'F']
  • Chemical System: F-Li-Mn-O
  • Density: 3.680321892744276
  • Atomic Density: 0.07954375022036533
  • Unit Cell Volume: 339.4358441134609
  • Molar Volume: 7.570853452743256
  • Full Formula: Li3 Mn8 O4 F12
  • Reduced Formula: Li3Mn8(OF3)4
  • Formula Anonymous: A3B4C8D12
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -193.96005305
  • Final energy per atom: -7.1837056685185186
  • 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.