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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195970

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-1195970
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Cd', 'Hg', 'S', 'O']
  • Chemical System: Cd-Hg-O-S
  • Density: 5.529725139437246
  • Atomic Density: 0.06536158780359819
  • Unit Cell Volume: 520.1832015183738
  • Molar Volume: 9.21357782509145
  • Full Formula: Cd4 Hg4 S4 O22
  • Reduced Formula: Cd2Hg2S2O11
  • Formula Anonymous: A2B2C2D11
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -175.98049001
  • Final energy per atom: -5.175896765
  • 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.