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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192851

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-1192851
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['K', 'Fe', 'H', 'S', 'O']
  • Chemical System: Fe-H-K-O-S
  • Density: 2.958349462863929
  • Atomic Density: 0.09249264572592529
  • Unit Cell Volume: 281.1034303964376
  • Molar Volume: 6.510940099870037
  • Full Formula: K1 Fe3 H6 S2 O14
  • Reduced Formula: KFe3H6(SO7)2
  • Formula Anonymous: AB2C3D6E14
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -168.42649
  • Final energy per atom: -6.477941923076923
  • 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.