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  1. Third-Parties
  2. MatprojStructure
  3. mp-557121

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-557121
  • 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: 18
  • Number of elements: 4
  • Element list: ['K', 'Sn', 'Au', 'S']
  • Chemical System: Au-K-S-Sn
  • Density: 4.572899649961282
  • Atomic Density: 0.034466402273455564
  • Unit Cell Volume: 522.2477198864116
  • Molar Volume: 17.47249600413901
  • Full Formula: K4 Sn2 Au4 S8
  • Reduced Formula: K2Sn(AuS2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -74.93871328
  • Final energy per atom: -4.163261848888889
  • 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.