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  1. Third-Parties
  2. MatprojStructure
  3. mp-849476

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-849476
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 3
  • Element list: ['Li', 'Ag', 'F']
  • Chemical System: Ag-F-Li
  • Density: 3.555746951091065
  • Atomic Density: 0.06325688361274219
  • Unit Cell Volume: 916.8962599402657
  • Molar Volume: 9.52013506841005
  • Full Formula: Li17 Ag12 F29
  • Reduced Formula: Li17Ag12F29
  • Formula Anonymous: A12B17C29
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -253.97687316
  • Final energy per atom: -4.378911606206897
  • 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.