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  1. Third-Parties
  2. MatprojStructure
  3. mp-542239

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-542239
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['Cs', 'Hg']
  • Chemical System: Cs-Hg
  • Density: 8.436587850901041
  • Atomic Density: 0.027243593612802177
  • Unit Cell Volume: 880.9410513568238
  • Molar Volume: 22.104795885554925
  • Full Formula: Cs5 Hg19
  • Reduced Formula: Cs5Hg19
  • Formula Anonymous: A5B19
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -15.56930887
  • Final energy per atom: -0.6487212029166667
  • 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.