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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226893

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-1226893
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Cd', 'Ga', 'Hg', 'Te']
  • Chemical System: Cd-Ga-Hg-Te
  • Density: 5.687401922565327
  • Atomic Density: 0.029733166155931034
  • Unit Cell Volume: 470.854665345061
  • Molar Volume: 20.253950515790365
  • Full Formula: Cd1 Ga4 Hg1 Te8
  • Reduced Formula: CdGa4HgTe8
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -46.41324066
  • Final energy per atom: -3.3152314757142856
  • 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.