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  1. Third-Parties
  2. MatprojStructure
  3. mp-676109

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-676109
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['Li', 'In', 'Cl']
  • Chemical System: Cl-In-Li
  • Density: 2.5906139929657837
  • Atomic Density: 0.044784380842340765
  • Unit Cell Volume: 1339.7528082664446
  • Molar Volume: 13.446966658309703
  • Full Formula: Li18 In6 Cl36
  • Reduced Formula: Li3InCl6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -231.86797835
  • Final energy per atom: -3.864466305833333
  • 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.