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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198863

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-1198863
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 224
  • Number of elements: 3
  • Element list: ['Hg', 'S', 'Cl']
  • Chemical System: Cl-Hg-S
  • Density: 6.2077127511280175
  • Atomic Density: 0.03551627429540632
  • Unit Cell Volume: 6306.967846257799
  • Molar Volume: 16.956003633463617
  • Full Formula: Hg96 S64 Cl64
  • Reduced Formula: Hg3(SCl)2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -569.21924273
  • Final energy per atom: -2.5411573336160713
  • 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.