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  1. Third-Parties
  2. MatprojStructure
  3. mp-651231

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-651231
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 4
  • Element list: ['Te', 'Ru', 'C', 'O']
  • Chemical System: C-O-Ru-Te
  • Density: 3.065687043464316
  • Atomic Density: 0.05342504384656409
  • Unit Cell Volume: 2096.395097431502
  • Molar Volume: 11.272130683309305
  • Full Formula: Te8 Ru16 C44 O44
  • Reduced Formula: Te2Ru4(CO)11
  • Formula Anonymous: A2B4C11D11
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -903.84223508
  • Final energy per atom: -8.070019956071429
  • 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.