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  1. Third-Parties
  2. MatprojStructure
  3. mp-29536

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-29536
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Ag', 'C', 'F']
  • Chemical System: Ag-C-F
  • Density: 6.89252909177272
  • Atomic Density: 0.06616416756528362
  • Unit Cell Volume: 604.5568390251768
  • Molar Volume: 9.10181595507569
  • Full Formula: Ag20 C4 F16
  • Reduced Formula: Ag5CF4
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -157.87079611
  • Final energy per atom: -3.94676990275
  • 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.