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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189674

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-1189674
  • 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: 18
  • Number of elements: 4
  • Element list: ['K', 'Pt', 'Br', 'O']
  • Chemical System: Br-K-O-Pt
  • Density: 4.112854175608794
  • Atomic Density: 0.03567215905491758
  • Unit Cell Volume: 504.5951934753614
  • Molar Volume: 16.881907121822554
  • Full Formula: K4 Pt2 Br8 O4
  • Reduced Formula: K2Pt(Br2O)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -63.67893879
  • Final energy per atom: -3.5377188216666666
  • 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.