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  1. Third-Parties
  2. MatprojStructure
  3. mp-680248

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-680248
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 111
  • Number of elements: 3
  • Element list: ['Os', 'C', 'O']
  • Chemical System: C-O-Os
  • Density: 3.672829297116182
  • Atomic Density: 0.058484251529550495
  • Unit Cell Volume: 1897.9468334978133
  • Molar Volume: 10.29702971740551
  • Full Formula: Os15 C48 O48
  • Reduced Formula: Os5(CO)16
  • Formula Anonymous: A5B16C16
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -951.613658
  • Final energy per atom: -8.573096018018019
  • 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.