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  1. Third-Parties
  2. MatprojStructure
  3. mp-572877

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-572877
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Co', 'Se', 'Cl', 'O']
  • Chemical System: Cl-Co-O-Se
  • Density: 4.021296128493589
  • Atomic Density: 0.06377188178658696
  • Unit Cell Volume: 721.3210385407681
  • Molar Volume: 9.443253972264978
  • Full Formula: Co10 Se8 Cl4 O24
  • Reduced Formula: Co5Se4(ClO6)2
  • Formula Anonymous: A2B4C5D12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -285.15918888
  • Final energy per atom: -6.199112801739131
  • 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.