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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222337

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-1222337
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Li', 'Gd', 'S']
  • Chemical System: Gd-Li-S
  • Density: 4.467850061728811
  • Atomic Density: 0.04713718313357726
  • Unit Cell Volume: 84.85869825239254
  • Molar Volume: 12.775775639656846
  • Full Formula: Li1 Gd1 S2
  • Reduced Formula: LiGdS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -32.3374999
  • Final energy per atom: -8.084374975
  • 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.