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  1. Third-Parties
  2. MatprojStructure
  3. mp-625112

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-625112
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['H', 'Pt', 'O']
  • Chemical System: H-O-Pt
  • Density: 4.3478200936599904
  • Atomic Density: 0.13129057384264334
  • Unit Cell Volume: 228.50079119888775
  • Molar Volume: 4.586879761236903
  • Full Formula: H16 Pt2 O12
  • Reduced Formula: H8PtO6
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -160.03605582
  • Final energy per atom: -5.334535194
  • 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.