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  1. Third-Parties
  2. MatprojStructure
  3. mp-766597

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-766597
  • 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: 42
  • Number of elements: 3
  • Element list: ['Li', 'Ti', 'S']
  • Chemical System: Li-S-Ti
  • Density: 2.5868926973223765
  • Atomic Density: 0.05018588896914558
  • Unit Cell Volume: 836.8886326955713
  • Molar Volume: 11.999669396515879
  • Full Formula: Li8 Ti10 S24
  • Reduced Formula: Li4Ti5S12
  • Formula Anonymous: A4B5C12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -257.40290237
  • Final energy per atom: -6.128640532619047
  • 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.