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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222286

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-1222286
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Li', 'Er', 'S']
  • Chemical System: Er-Li-S
  • Density: 4.974608947380457
  • Atomic Density: 0.05027952052604929
  • Unit Cell Volume: 79.55525347397938
  • Molar Volume: 11.97732336544457
  • Full Formula: Li1 Er1 S2
  • Reduced Formula: LiErS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -22.85132661
  • Final energy per atom: -5.7128316525
  • 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.