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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219839

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-1219839
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 3
  • Element list: ['Si', 'Hg', 'C']
  • Chemical System: C-Hg-Si
  • Density: 1.677481302540528
  • Atomic Density: 0.04252049448884365
  • Unit Cell Volume: 634.98791170183
  • Molar Volume: 14.16291327839582
  • Full Formula: Si8 Hg1 C18
  • Reduced Formula: Si8HgC18
  • Formula Anonymous: AB8C18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -175.80559051
  • Final energy per atom: -6.511318167037037
  • 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.