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  1. Third-Parties
  2. MatprojStructure
  3. mp-720469

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-720469
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 188
  • Number of elements: 5
  • Element list: ['H', 'Os', 'Pt', 'C', 'O']
  • Chemical System: C-H-O-Os-Pt
  • Density: 3.8908372948866976
  • Atomic Density: 0.06039168816755043
  • Unit Cell Volume: 3113.011172637096
  • Molar Volume: 9.971803972911305
  • Full Formula: H24 Os20 Pt8 C68 O68
  • Reduced Formula: H6Os5Pt2(CO)17
  • Formula Anonymous: A2B5C6D17E17
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1468.99826412
  • Final energy per atom: -7.813820553829787
  • 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.