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  1. Third-Parties
  2. MatprojStructure
  3. mp-540820

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-540820
  • 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: 44
  • Number of elements: 3
  • Element list: ['Re', 'C', 'O']
  • Chemical System: C-O-Re
  • Density: 2.6270373340844984
  • Atomic Density: 0.05333954767142243
  • Unit Cell Volume: 824.9038831571072
  • Molar Volume: 11.29019840418794
  • Full Formula: Re4 C20 O20
  • Reduced Formula: Re(CO)5
  • Formula Anonymous: AB5C5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -378.59591725
  • Final energy per atom: -8.604452664772728
  • 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.