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  1. Third-Parties
  2. MatprojStructure
  3. mp-733789

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-733789
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 3
  • Element list: ['Os', 'C', 'O']
  • Chemical System: C-O-Os
  • Density: 3.501922145288356
  • Atomic Density: 0.05576281362783647
  • Unit Cell Volume: 1327.0492499513982
  • Molar Volume: 10.79956402521587
  • Full Formula: Os10 C32 O32
  • Reduced Formula: Os5(CO)16
  • Formula Anonymous: A5B16C16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -631.62524498
  • Final energy per atom: -8.535476283513514
  • 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.