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  1. Third-Parties
  2. MatprojStructure
  3. mp-625113

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-625113
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 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: 4.3962076695996295
  • Atomic Density: 0.13275172735753543
  • Unit Cell Volume: 225.98576001351822
  • Molar Volume: 4.5363935218566205
  • 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: -159.59866011
  • Final energy per atom: -5.319955337
  • 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.