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  1. Third-Parties
  2. MatprojStructure
  3. mp-23361

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-23361
  • 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: 14
  • Number of elements: 3
  • Element list: ['Li', 'Cr', 'Cl']
  • Chemical System: Cl-Cr-Li
  • Density: 2.2389424141869836
  • Atomic Density: 0.050972826111432494
  • Unit Cell Volume: 274.6561465788532
  • Molar Volume: 11.814414109264618
  • Full Formula: Li5 Cr1 Cl8
  • Reduced Formula: Li5CrCl8
  • Formula Anonymous: AB5C8
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -61.57191436
  • Final energy per atom: -4.3979938828571425
  • 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.