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  1. Third-Parties
  2. MatprojStructure
  3. mp-645189

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-645189
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Cs', 'K', 'Pt', 'S', 'O']
  • Chemical System: Cs-K-O-Pt-S
  • Density: 5.456835657364493
  • Atomic Density: 0.06960563927620446
  • Unit Cell Volume: 1206.7987719597947
  • Molar Volume: 8.651800087782174
  • Full Formula: Cs2 K2 Pt12 S12 O56
  • Reduced Formula: CsKPt6(S3O14)2
  • Formula Anonymous: ABC6D6E28
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -533.59256956
  • Final energy per atom: -6.352292494761905
  • 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.