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  1. Third-Parties
  2. MatprojStructure
  3. mp-683975

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-683975
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 4
  • Element list: ['Yb', 'K', 'P', 'S']
  • Chemical System: K-P-S-Yb
  • Density: 2.4968755784742767
  • Atomic Density: 0.03298595305893951
  • Unit Cell Volume: 4122.967123520559
  • Molar Volume: 18.256682622568466
  • Full Formula: K24 Yb12 P20 S80
  • Reduced Formula: K6Yb3(PS4)5
  • Formula Anonymous: A3B5C6D20
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -648.4522534
  • Final energy per atom: -4.768031275
  • 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.