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  1. Third-Parties
  2. MatprojStructure
  3. mp-622197

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-622197
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 5
  • Element list: ['Cs', 'Pt', 'S', 'O', 'F']
  • Chemical System: Cs-F-O-Pt-S
  • Density: 2.9129136334804904
  • Atomic Density: 0.05485688119204922
  • Unit Cell Volume: 601.5653694286746
  • Molar Volume: 10.977913124366301
  • Full Formula: Cs2 Pt1 S6 O18 F6
  • Reduced Formula: Cs2PtS6(O3F)6
  • Formula Anonymous: AB2C6D6E18
  • Spacegroup Number: 150
  • Spacegroup Symbol: P321
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -196.59925271
  • Final energy per atom: -5.957553112424242
  • 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.