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  1. Third-Parties
  2. MatprojStructure
  3. mp-863372

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-863372
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Li', 'Cu', 'F']
  • Chemical System: Cu-F-Li
  • Density: 4.182184021699954
  • Atomic Density: 0.09139109063795736
  • Unit Cell Volume: 393.9114824946422
  • Molar Volume: 6.589417762675031
  • Full Formula: Li4 Cu8 F24
  • Reduced Formula: LiCu2F6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -161.39603946
  • Final energy per atom: -4.483223318333334
  • 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.