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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211087

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-1211087
  • 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: 18
  • Number of elements: 4
  • Element list: ['Li', 'Cd', 'Fe', 'F']
  • Chemical System: Cd-F-Fe-Li
  • Density: 4.193969025953722
  • Atomic Density: 0.07860302051304248
  • Unit Cell Volume: 228.99883341013958
  • Molar Volume: 7.661462270398064
  • Full Formula: Li2 Cd2 Fe2 F12
  • Reduced Formula: LiCdFeF6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -94.68250029
  • Final energy per atom: -5.260138905
  • 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.