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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205248

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-1205248
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 6
  • Element list: ['K', 'H', 'Pt', 'S', 'Br', 'O']
  • Chemical System: Br-H-K-O-Pt-S
  • Density: 3.151869436400998
  • Atomic Density: 0.05245491614300176
  • Unit Cell Volume: 1372.6072843909376
  • Molar Volume: 11.480603159449412
  • Full Formula: K12 H12 Pt4 S8 Br8 O28
  • Reduced Formula: K3H3PtS2Br2O7
  • Formula Anonymous: AB2C2D3E3F7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -379.97688022
  • Final energy per atom: -5.2774566697222225
  • 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.