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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226731

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-1226731
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Cd', 'Hg', 'Se']
  • Chemical System: Cd-Hg-Se
  • Density: 7.0796821134619154
  • Atomic Density: 0.032556342678675416
  • Unit Cell Volume: 307.15980903315824
  • Molar Volume: 18.497596058123985
  • Full Formula: Cd1 Hg4 Se5
  • Reduced Formula: CdHg4Se5
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -24.76925233
  • Final energy per atom: -2.4769252330000002
  • 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.