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  1. Third-Parties
  2. MatprojStructure
  3. mp-1106290

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-1106290
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 2
  • Element list: ['Er', 'S']
  • Chemical System: Er-S
  • Density: 6.768277973347928
  • Atomic Density: 0.04731633671655414
  • Unit Cell Volume: 422.68699117196826
  • Molar Volume: 12.727402791292352
  • Full Formula: Er8 S12
  • Reduced Formula: Er2S3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -133.26096958
  • Final energy per atom: -6.6630484789999995
  • 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.