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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181082

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-1181082
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Hg', 'S', 'N', 'Cl']
  • Chemical System: Cl-Hg-N-S
  • Density: 3.5412885830284613
  • Atomic Density: 0.03023754285210689
  • Unit Cell Volume: 529.143524599756
  • Molar Volume: 19.91610492113908
  • Full Formula: Hg4 S4 N4 Cl4
  • Reduced Formula: HgSNCl
  • Formula Anonymous: ABCD
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -55.89503702
  • Final energy per atom: -3.49343981375
  • 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.