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  1. Third-Parties
  2. MatprojStructure
  3. mp-570591

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-570591
  • 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: 5
  • Number of elements: 3
  • Element list: ['Cs', 'Hg', 'Cl']
  • Chemical System: Cl-Cs-Hg
  • Density: 4.631304596224877
  • Atomic Density: 0.031704087647702495
  • Unit Cell Volume: 157.70837046504116
  • Molar Volume: 18.994840119414093
  • Full Formula: Cs1 Hg1 Cl3
  • Reduced Formula: CsHgCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -14.36047994
  • Final energy per atom: -2.872095988
  • 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.