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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105419

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-1105419
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Cs', 'Hg', 'S']
  • Chemical System: Cs-Hg-S
  • Density: 5.845206937583474
  • Atomic Density: 0.031812906001922284
  • Unit Cell Volume: 565.8081031299799
  • Molar Volume: 18.9298668899852
  • Full Formula: Cs4 Hg6 S8
  • Reduced Formula: Cs2Hg3S4
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -52.60475494
  • Final energy per atom: -2.9224863855555556
  • 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.