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  1. Third-Parties
  2. MatprojStructure
  3. mp-763003

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-763003
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Li', 'Mn', 'F']
  • Chemical System: F-Li-Mn
  • Density: 2.408308100653744
  • Atomic Density: 0.06100215067341031
  • Unit Cell Volume: 491.78593982058464
  • Molar Volume: 9.872013844628167
  • Full Formula: Li6 Mn6 F18
  • Reduced Formula: LiMnF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -189.4354561
  • Final energy per atom: -6.314515203333333
  • 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.