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  1. Third-Parties
  2. MatprojStructure
  3. mp-560773

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-560773
  • 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: 48
  • Number of elements: 5
  • Element list: ['K', 'Na', 'S', 'Cl', 'O']
  • Chemical System: Cl-K-Na-O-S
  • Density: 2.2893157312173207
  • Atomic Density: 0.055747325369846154
  • Unit Cell Volume: 861.0278552657398
  • Molar Volume: 10.802564463939984
  • Full Formula: K8 Na4 S8 Cl4 O24
  • Reduced Formula: K2NaS2ClO6
  • Formula Anonymous: ABC2D2E6
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -273.54734828
  • Final energy per atom: -5.6989030891666665
  • 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.