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  1. Third-Parties
  2. MatprojStructure
  3. mp-650695

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-650695
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 168
  • Number of elements: 4
  • Element list: ['Os', 'Pt', 'C', 'O']
  • Chemical System: C-O-Os-Pt
  • Density: 3.711287933204147
  • Atomic Density: 0.05670953039676534
  • Unit Cell Volume: 2962.4650182182177
  • Molar Volume: 10.619274604932185
  • Full Formula: Os16 Pt8 C72 O72
  • Reduced Formula: Os2Pt(CO)9
  • Formula Anonymous: AB2C9D9
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -1402.99504635
  • Final energy per atom: -8.35116099017857
  • 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.