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  1. Third-Parties
  2. MatprojStructure
  3. mp-18230

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-18230
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Si', 'Hg', 'Se']
  • Chemical System: Hg-Se-Si
  • Density: 6.938034596598787
  • Atomic Density: 0.03523984759165429
  • Unit Cell Volume: 624.2932788736058
  • Molar Volume: 17.08900909499449
  • Full Formula: Si2 Hg8 Se12
  • Reduced Formula: Si(Hg2Se3)2
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -66.52369233
  • Final energy per atom: -3.023804196818182
  • 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.