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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213819

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-1213819
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Co', 'Se', 'Cl', 'O']
  • Chemical System: Cl-Co-O-Se
  • Density: 3.079212266097613
  • Atomic Density: 0.06196236704591771
  • Unit Cell Volume: 290.49890858205845
  • Molar Volume: 9.71902954504182
  • Full Formula: Co2 Se2 Cl2 O12
  • Reduced Formula: CoSeClO6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -89.43591922
  • Final energy per atom: -4.968662178888889
  • 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.