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  1. Third-Parties
  2. MatprojStructure
  3. mp-863754

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-863754
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['K', 'Y', 'Si', 'S']
  • Chemical System: K-S-Si-Y
  • Density: 2.6756343222468715
  • Atomic Density: 0.03966641971072702
  • Unit Cell Volume: 352.94337381838295
  • Molar Volume: 15.181961981740006
  • Full Formula: K2 Y2 Si2 S8
  • Reduced Formula: KYSiS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -83.03524015
  • Final energy per atom: -5.931088582142857
  • 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.