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  1. Third-Parties
  2. MatprojStructure
  3. mp-859118

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-859118
  • 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: 32
  • Number of elements: 3
  • Element list: ['Li', 'Ag', 'F']
  • Chemical System: Ag-F-Li
  • Density: 3.718343576548042
  • Atomic Density: 0.07829519471421384
  • Unit Cell Volume: 408.7096292027059
  • Molar Volume: 7.691584115706568
  • Full Formula: Li4 Ag4 F24
  • Reduced Formula: LiAgF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -113.36922949
  • Final energy per atom: -3.5427884215625
  • 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.