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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211873

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-1211873
  • 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: 56
  • Number of elements: 4
  • Element list: ['K', 'Ti', 'P', 'S']
  • Chemical System: K-P-S-Ti
  • Density: 2.160345072457682
  • Atomic Density: 0.0385450963495767
  • Unit Cell Volume: 1452.843689690634
  • Molar Volume: 15.623623574276353
  • Full Formula: K6 Ti4 P10 S36
  • Reduced Formula: K3Ti2P5S18
  • Formula Anonymous: A2B3C5D18
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -298.48621531
  • Final energy per atom: -5.330110987678571
  • 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.