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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204961

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-1204961
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Co', 'Hg', 'N', 'Cl']
  • Chemical System: Cl-Co-Hg-N
  • Density: 2.256108419052477
  • Atomic Density: 0.033912481319812476
  • Unit Cell Volume: 1533.3587510041727
  • Molar Volume: 17.75788891177869
  • Full Formula: Co4 Hg4 N24 Cl20
  • Reduced Formula: CoHgN6Cl5
  • Formula Anonymous: ABC5D6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -266.58203685
  • Final energy per atom: -5.126577631730769
  • 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.