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  1. Third-Parties
  2. MatprojStructure
  3. mp-569543

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-569543
  • 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: 54
  • Number of elements: 5
  • Element list: ['Cs', 'La', 'Zr', 'Fe', 'Cl']
  • Chemical System: Cl-Cs-Fe-La-Zr
  • Density: 3.1847808254652397
  • Atomic Density: 0.03422245087186142
  • Unit Cell Volume: 1577.9115353891907
  • Molar Volume: 17.59704698692857
  • Full Formula: Cs2 La2 Zr12 Fe2 Cl36
  • Reduced Formula: CsLaZr6FeCl18
  • Formula Anonymous: ABCD6E18
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -318.02489564
  • Final energy per atom: -5.889349919259259
  • 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.