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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224225

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-1224225
  • 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: 32
  • Number of elements: 5
  • Element list: ['K', 'Ta', 'Nb', 'Cu', 'S']
  • Chemical System: Cu-K-Nb-S-Ta
  • Density: 3.3442434383484105
  • Atomic Density: 0.03843842579781911
  • Unit Cell Volume: 832.5002737707223
  • Molar Volume: 15.666980723080707
  • Full Formula: K6 Ta2 Nb2 Cu6 S16
  • Reduced Formula: K3TaNbCu3S8
  • Formula Anonymous: ABC3D3E8
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -180.2340353
  • Final energy per atom: -5.632313603125
  • 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.