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  1. Third-Parties
  2. MatprojStructure
  3. mp-541735

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-541735
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 3
  • Element list: ['K', 'Ti', 'S']
  • Chemical System: K-S-Ti
  • Density: 2.3602123669248365
  • Atomic Density: 0.03985611953338579
  • Unit Cell Volume: 1053.7904967095046
  • Molar Volume: 15.109701673178462
  • Full Formula: K8 Ti6 S28
  • Reduced Formula: K4Ti3S14
  • Formula Anonymous: A3B4C14
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -227.97707783
  • Final energy per atom: -5.4280256626190475
  • 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.