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  1. Third-Parties
  2. MatprojStructure
  3. mp-23032

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-23032
  • 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: 30
  • Number of elements: 3
  • Element list: ['Cs', 'Cu', 'Cl']
  • Chemical System: Cl-Cs-Cu
  • Density: 3.459594963361655
  • Atomic Density: 0.03440133542026984
  • Unit Cell Volume: 872.0591696078026
  • Molar Volume: 17.50554356808967
  • Full Formula: Cs6 Cu6 Cl18
  • Reduced Formula: CsCuCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 178
  • Spacegroup Symbol: P6_122
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -107.92217557
  • Final energy per atom: -3.597405852333333
  • 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.