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  1. Third-Parties
  2. MatprojStructure
  3. mp-555595

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-555595
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['K', 'Cu', 'S', 'Cl', 'O']
  • Chemical System: Cl-Cu-K-O-S
  • Density: 3.406316467922145
  • Atomic Density: 0.06934363770012973
  • Unit Cell Volume: 922.9397551475766
  • Molar Volume: 8.684489247654126
  • Full Formula: K4 Cu12 S8 Cl4 O36
  • Reduced Formula: KCu3S2ClO9
  • Formula Anonymous: ABC2D3E9
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -372.30324683
  • Final energy per atom: -5.81723823171875
  • 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.