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  1. Third-Parties
  2. MatprojStructure
  3. mp-1120720

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-1120720
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Li', 'In', 'Br']
  • Chemical System: Br-In-Li
  • Density: 3.853437147125328
  • Atomic Density: 0.03772924962048082
  • Unit Cell Volume: 530.0927052931174
  • Molar Volume: 15.961464435621751
  • Full Formula: Li6 In2 Br12
  • Reduced Formula: Li3InBr6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -67.87407299
  • Final energy per atom: -3.3937036495
  • 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.