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  1. Third-Parties
  2. MatprojStructure
  3. mp-556369

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-556369
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Cd', 'Hg', 'Se', 'O']
  • Chemical System: Cd-Hg-O-Se
  • Density: 6.920166112884197
  • Atomic Density: 0.06052483014062997
  • Unit Cell Volume: 330.44289349560876
  • Molar Volume: 9.949868088861223
  • Full Formula: Cd2 Hg4 Se2 O12
  • Reduced Formula: CdHg2SeO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -90.93559741
  • Final energy per atom: -4.5467798705
  • 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.