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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224553

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-1224553
  • 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: 63
  • Number of elements: 5
  • Element list: ['K', 'Cu', 'S', 'Cl', 'O']
  • Chemical System: Cl-Cu-K-O-S
  • Density: 3.0856666461093685
  • Atomic Density: 0.06547077609360205
  • Unit Cell Volume: 962.2613898746267
  • Molar Volume: 9.198211964663876
  • Full Formula: K8 Cu9 S8 Cl2 O36
  • Reduced Formula: K8Cu9S8(ClO18)2
  • Formula Anonymous: A2B8C8D9E36
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -372.22653326
  • Final energy per atom: -5.9083576707936505
  • 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.