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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104879

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-1104879
  • 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: 15
  • Number of elements: 4
  • Element list: ['Li', 'H', 'Pt', 'O']
  • Chemical System: H-Li-O-Pt
  • Density: 4.0789510729259995
  • Atomic Density: 0.11847214412821942
  • Unit Cell Volume: 126.61204125558729
  • Molar Volume: 5.083170229013825
  • Full Formula: Li2 H6 Pt1 O6
  • Reduced Formula: Li2H6PtO6
  • Formula Anonymous: AB2C6D6
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -81.14627924
  • Final energy per atom: -5.409751949333333
  • 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.