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  1. Third-Parties
  2. MatprojStructure
  3. mp-831158

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-831158
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 3
  • Element list: ['Li', 'Mn', 'F']
  • Chemical System: F-Li-Mn
  • Density: 2.9283620250370777
  • Atomic Density: 0.09862355036180807
  • Unit Cell Volume: 334.6056786531915
  • Molar Volume: 6.10618938165105
  • Full Formula: Li12 Mn3 F18
  • Reduced Formula: Li4MnF6
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -186.32293316
  • Final energy per atom: -5.6461494896969695
  • 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.