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  1. Third-Parties
  2. MatprojStructure
  3. mp-29341

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-29341
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['K', 'Au', 'S']
  • Chemical System: Au-K-S
  • Density: 5.858790147852821
  • Atomic Density: 0.03531736160746632
  • Unit Cell Volume: 849.4405763781008
  • Molar Volume: 17.051502394014847
  • Full Formula: K8 Au12 S10
  • Reduced Formula: K4Au6S5
  • Formula Anonymous: A4B5C6
  • Spacegroup Number: 190
  • Spacegroup Symbol: P-62c
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -113.96829178
  • Final energy per atom: -3.7989430593333333
  • 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.