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  1. Third-Parties
  2. MatprojStructure
  3. mp-1057216

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-1057216
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['Li', 'S']
  • Chemical System: Li-S
  • Density: 1.9329070331284806
  • Atomic Density: 0.05968434719538693
  • Unit Cell Volume: 33.509623443692156
  • Molar Volume: 10.089983459625504
  • Full Formula: Li1 S1
  • Reduced Formula: LiS
  • Formula Anonymous: AB
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -7.79810934
  • Final energy per atom: -3.89905467
  • 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.