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  1. Third-Parties
  2. MatprojStructure
  3. mp-569890

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-569890
  • 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: 24
  • Number of elements: 2
  • Element list: ['Cr', 'Cl']
  • Chemical System: Cl-Cr
  • Density: 2.5119679605120666
  • Atomic Density: 0.038211398680665164
  • Unit Cell Volume: 628.0848340718791
  • Molar Volume: 15.760063666675414
  • Full Formula: Cr6 Cl18
  • Reduced Formula: CrCl3
  • Formula Anonymous: AB3
  • Spacegroup Number: 153
  • Spacegroup Symbol: P3_212
  • Crystal System: trigonal
  • Pointgroup: 312

Thermodynamics:

  • Final energy: -129.43247544
  • Final energy per atom: -5.393019809999999
  • 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.