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  1. Third-Parties
  2. MatprojStructure
  3. mp-1147618

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-1147618
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['K', 'Zn', 'S']
  • Chemical System: K-S-Zn
  • Density: 2.1837186059678793
  • Atomic Density: 0.03377800272383322
  • Unit Cell Volume: 651.3114520082963
  • Molar Volume: 17.828587466336117
  • Full Formula: K12 Zn2 S8
  • Reduced Formula: K6ZnS4
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -76.44313811
  • Final energy per atom: -3.4746880959090913
  • 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.