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  1. Third-Parties
  2. MatprojStructure
  3. mp-776636

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-776636
  • 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: 104
  • Number of elements: 5
  • Element list: ['Co', 'H', 'Se', 'Cl', 'O']
  • Chemical System: Cl-Co-H-O-Se
  • Density: 2.824878999253342
  • Atomic Density: 0.08559144234433796
  • Unit Cell Volume: 1215.074745225155
  • Molar Volume: 7.035914566987522
  • Full Formula: Co8 H40 Se8 Cl8 O40
  • Reduced Formula: CoH5SeClO5
  • Formula Anonymous: ABCD5E5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -563.89531371
  • Final energy per atom: -5.422070324134615
  • 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.