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  1. Third-Parties
  2. MatprojStructure
  3. mp-557225

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-557225
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Cu', 'Ge', 'W', 'S']
  • Chemical System: Cu-Ge-S-W
  • Density: 4.806654282864693
  • Atomic Density: 0.05178955702458083
  • Unit Cell Volume: 617.8851845520105
  • Molar Volume: 11.628098609033701
  • Full Formula: Cu12 Ge2 W2 S16
  • Reduced Formula: Cu6GeWS8
  • Formula Anonymous: ABC6D8
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -171.07511311
  • Final energy per atom: -5.3460972846875
  • 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.