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  1. Third-Parties
  2. MatprojStructure
  3. mp-610992

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-610992
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 4
  • Element list: ['Hg', 'C', 'S', 'N']
  • Chemical System: C-Hg-N-S
  • Density: 3.559685613776511
  • Atomic Density: 0.04737370825775048
  • Unit Cell Volume: 147.7612848442106
  • Molar Volume: 12.711989374432727
  • Full Formula: Hg1 C2 S2 N2
  • Reduced Formula: HgC2(SN)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -43.24075684
  • Final energy per atom: -6.177250977142857
  • 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.