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  1. Third-Parties
  2. MatprojStructure
  3. mp-651724

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-651724
  • 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: 112
  • Number of elements: 5
  • Element list: ['Fe', 'Te', 'Ru', 'C', 'O']
  • Chemical System: C-Fe-O-Ru-Te
  • Density: 2.9212490494683983
  • Atomic Density: 0.05615753763628707
  • Unit Cell Volume: 1994.3894393195303
  • Molar Volume: 10.723655298071153
  • Full Formula: Fe8 Te8 Ru8 C44 O44
  • Reduced Formula: Fe2Te2Ru2(CO)11
  • Formula Anonymous: A2B2C2D11E11
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -871.4456052200001
  • Final energy per atom: -7.7807643323214295
  • 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.