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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203899

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-1203899
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['K', 'P', 'H', 'Pt', 'O']
  • Chemical System: H-K-O-P-Pt
  • Density: 2.604017747483544
  • Atomic Density: 0.06497780225131906
  • Unit Cell Volume: 1477.4276241091422
  • Molar Volume: 9.267996994893357
  • Full Formula: K8 P16 H24 Pt4 O44
  • Reduced Formula: K2P4H6PtO11
  • Formula Anonymous: AB2C4D6E11
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -604.54273858
  • Final energy per atom: -6.297320193541666
  • 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.