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  1. Third-Parties
  2. MatprojStructure
  3. mp-558352

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-558352
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['K', 'W', 'N', 'Cl', 'F']
  • Chemical System: Cl-F-K-N-W
  • Density: 3.3920898943667392
  • Atomic Density: 0.05004185671544882
  • Unit Cell Volume: 719.397767447069
  • Molar Volume: 12.034207272211097
  • Full Formula: K4 W4 N4 Cl4 F20
  • Reduced Formula: KWNClF5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -216.15716631
  • Final energy per atom: -6.004365730833333
  • 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.