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  1. Third-Parties
  2. MatprojStructure
  3. mp-733538

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-733538
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['Te', 'Os', 'C', 'O']
  • Chemical System: C-O-Os-Te
  • Density: 3.737365813760576
  • Atomic Density: 0.05210045216784482
  • Unit Cell Volume: 1689.0448420006524
  • Molar Volume: 11.558711123272602
  • Full Formula: Te4 Os12 C36 O36
  • Reduced Formula: TeOs3(CO)9
  • Formula Anonymous: AB3C9D9
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -732.61235569
  • Final energy per atom: -8.325140405568181
  • 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.