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  1. Third-Parties
  2. MatprojStructure
  3. mp-610955

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-610955
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Cs', 'Cr', 'Cl']
  • Chemical System: Cl-Cr-Cs
  • Density: 3.3092631291709464
  • Atomic Density: 0.034211375781288016
  • Unit Cell Volume: 292.300434333001
  • Molar Volume: 17.60274359762469
  • Full Formula: Cs2 Cr2 Cl6
  • Reduced Formula: CsCrCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -49.66531347
  • Final energy per atom: -4.966531347
  • 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.