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  1. Third-Parties
  2. MatprojStructure
  3. mp-669516

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-669516
  • 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: 46
  • Number of elements: 3
  • Element list: ['La', 'Er', 'S']
  • Chemical System: Er-La-S
  • Density: 5.75895069151196
  • Atomic Density: 0.04242755433284171
  • Unit Cell Volume: 1084.2010745925315
  • Molar Volume: 14.19393800725975
  • Full Formula: La10 Er9 S27
  • Reduced Formula: La10(ErS3)9
  • Formula Anonymous: A9B10C27
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -315.69510122
  • Final energy per atom: -6.862936983043479
  • 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.