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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196827

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-1196827
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 5
  • Element list: ['K', 'Li', 'H', 'S', 'O']
  • Chemical System: H-K-Li-O-S
  • Density: 2.1008789899399427
  • Atomic Density: 0.06433793584966975
  • Unit Cell Volume: 1740.808102107847
  • Molar Volume: 9.360170917001703
  • Full Formula: K16 Li4 H12 S16 O64
  • Reduced Formula: K4LiH3(SO4)4
  • Formula Anonymous: AB3C4D4E16
  • Spacegroup Number: 76
  • Spacegroup Symbol: P4_1
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -675.44664871
  • Final energy per atom: -6.030773649196428
  • 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.