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  1. Third-Parties
  2. MatprojStructure
  3. mp-1188137

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-1188137
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Cd', 'Hg', 'S', 'Br']
  • Chemical System: Br-Cd-Hg-S
  • Density: 5.830530153221421
  • Atomic Density: 0.03304917834224328
  • Unit Cell Volume: 484.1270132137865
  • Molar Volume: 18.221756370573765
  • Full Formula: Cd4 Hg4 S4 Br4
  • Reduced Formula: CdHgSBr
  • Formula Anonymous: ABCD
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -35.80681343
  • Final energy per atom: -2.237925839375
  • 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.