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  1. Third-Parties
  2. MatprojStructure
  3. mp-600193

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-600193
  • 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: 26
  • Number of elements: 5
  • Element list: ['Cs', 'Pt', 'C', 'O', 'F']
  • Chemical System: C-Cs-F-O-Pt
  • Density: 4.3961075141661485
  • Atomic Density: 0.0550740242643713
  • Unit Cell Volume: 472.0918862800447
  • Molar Volume: 10.934629964739777
  • Full Formula: Cs4 Pt2 C4 O8 F8
  • Reduced Formula: Cs2PtC2(OF)4
  • Formula Anonymous: AB2C2D4E4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -159.48989527
  • Final energy per atom: -6.134226741153847
  • 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.