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  1. Third-Parties
  2. MatprojStructure
  3. mp-552260

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-552260
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Co', 'C', 'Se', 'O']
  • Chemical System: C-Co-O-Se
  • Density: 3.9728342117015214
  • Atomic Density: 0.07840698008901958
  • Unit Cell Volume: 433.6348621181176
  • Molar Volume: 7.680618170936753
  • Full Formula: Co6 C4 Se4 O20
  • Reduced Formula: Co3C2(SeO5)2
  • Formula Anonymous: A2B2C3D10
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -240.12986464000005
  • Final energy per atom: -7.06264307764706
  • 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.