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  1. Third-Parties
  2. MatprojStructure
  3. mp-649754

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-649754
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Os', 'C', 'Se', 'O']
  • Chemical System: C-O-Os-Se
  • Density: 3.8094328120846366
  • Atomic Density: 0.053802503313240234
  • Unit Cell Volume: 854.9788052088625
  • Molar Volume: 11.193049373444328
  • Full Formula: Os6 C18 Se4 O18
  • Reduced Formula: Os3C9Se2O9
  • Formula Anonymous: A2B3C9D9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -381.32833831
  • Final energy per atom: -8.289746485
  • 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.