Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1318721

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-1318721
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'O', 'F']
  • Chemical System: F-Li-Mn-O
  • Density: 2.451417466550961
  • Atomic Density: 0.09424677097936805
  • Unit Cell Volume: 424.4177236454771
  • Molar Volume: 6.389758182079608
  • Full Formula: Li20 Mn4 O12 F4
  • Reduced Formula: Li5MnO3F
  • Formula Anonymous: ABC3D5
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -229.67177122000004
  • Final energy per atom: -5.741794280500001
  • 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.