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  1. Third-Parties
  2. MatprojStructure
  3. mp-648805

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-648805
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['Os', 'C', 'S', 'O']
  • Chemical System: C-O-Os-S
  • Density: 4.067787850134146
  • Atomic Density: 0.05943731530385357
  • Unit Cell Volume: 1547.8491841308864
  • Molar Volume: 10.131919197921041
  • Full Formula: Os14 C38 S2 O38
  • Reduced Formula: Os7C19SO19
  • Formula Anonymous: AB7C19D19
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -787.4646040699998
  • Final energy per atom: -8.559397870326086
  • 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.