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  1. Third-Parties
  2. MatprojStructure
  3. mp-675010

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-675010
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Cs', 'Hg', 'Cl']
  • Chemical System: Cl-Cs-Hg
  • Density: 3.9985705270798
  • Atomic Density: 0.027372639355095117
  • Unit Cell Volume: 365.32830722948205
  • Molar Volume: 22.000584897484668
  • Full Formula: Cs2 Hg2 Cl6
  • Reduced Formula: CsHgCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -28.26351826
  • Final energy per atom: -2.8263518260000002
  • 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.