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  1. Third-Parties
  2. MatprojStructure
  3. mp-560601

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-560601
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['K', 'Cu', 'S', 'Cl', 'O']
  • Chemical System: Cl-Cu-K-O-S
  • Density: 2.5400526822369494
  • Atomic Density: 0.04954972412900025
  • Unit Cell Volume: 807.2698829939392
  • Molar Volume: 12.15373216674558
  • Full Formula: K8 Cu4 S4 Cl8 O16
  • Reduced Formula: K2CuS(ClO2)2
  • Formula Anonymous: ABC2D2E4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -211.54262426
  • Final energy per atom: -5.2885656065
  • 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.