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  1. Third-Parties
  2. MatprojStructure
  3. mp-560423

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-560423
  • 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: 44
  • Number of elements: 5
  • Element list: ['K', 'B', 'S', 'Cl', 'O']
  • Chemical System: B-Cl-K-O-S
  • Density: 1.921867510792055
  • Atomic Density: 0.04973350153324647
  • Unit Cell Volume: 884.7155065200132
  • Molar Volume: 12.108821165495947
  • Full Formula: K2 B2 S8 Cl8 O24
  • Reduced Formula: KBS4(ClO3)4
  • Formula Anonymous: ABC4D4E12
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -258.88749588
  • Final energy per atom: -5.883806724545455
  • 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.