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  1. Third-Parties
  2. MatprojStructure
  3. mp-579536

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-579536
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Cs', 'Cu', 'I', 'Cl']
  • Chemical System: Cl-Cs-Cu-I
  • Density: 4.252446143514332
  • Atomic Density: 0.03356276032069991
  • Unit Cell Volume: 357.5391262618818
  • Molar Volume: 17.94292454630387
  • Full Formula: Cs2 Cu4 I2 Cl4
  • Reduced Formula: CsCu2ICl2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -42.33285303
  • Final energy per atom: -3.5277377525
  • 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.