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  1. Third-Parties
  2. MatprojStructure
  3. mp-604889

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-604889
  • 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: 52
  • Number of elements: 4
  • Element list: ['K', 'Gd', 'P', 'S']
  • Chemical System: Gd-K-P-S
  • Density: 2.8845602277173636
  • Atomic Density: 0.03684007407014975
  • Unit Cell Volume: 1411.5063911376287
  • Molar Volume: 16.34671186744311
  • Full Formula: K6 Gd6 P8 S32
  • Reduced Formula: K3Gd3(PS4)4
  • Formula Anonymous: A3B3C4D16
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -307.28519656000003
  • Final energy per atom: -5.9093307030769235
  • 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.