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  1. Third-Parties
  2. MatprojStructure
  3. mp-17905

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-17905
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Cs', 'Hg', 'S']
  • Chemical System: Cs-Hg-S
  • Density: 6.400418612023478
  • Atomic Density: 0.0341339775691328
  • Unit Cell Volume: 878.8896617524254
  • Molar Volume: 17.642657518606313
  • Full Formula: Cs4 Hg12 S14
  • Reduced Formula: Cs2Hg6S7
  • Formula Anonymous: A2B6C7
  • Spacegroup Number: 102
  • Spacegroup Symbol: P4_2nm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -84.0809821
  • Final energy per atom: -2.8026994033333334
  • 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.