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  1. Third-Parties
  2. MatprojStructure
  3. mp-561999

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-561999
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Cs', 'Al', 'Ag', 'F']
  • Chemical System: Ag-Al-Cs-F
  • Density: 4.318899336369671
  • Atomic Density: 0.06131862992526568
  • Unit Cell Volume: 587.0972662611072
  • Molar Volume: 9.82106215898774
  • Full Formula: Cs4 Al4 Ag4 F24
  • Reduced Formula: CsAlAgF6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -180.66261874
  • Final energy per atom: -5.018406076111111
  • 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.