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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224023

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-1224023
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['K', 'H', 'S', 'O']
  • Chemical System: H-K-O-S
  • Density: 2.47065522551363
  • Atomic Density: 0.06710117732811799
  • Unit Cell Volume: 208.64015442741658
  • Molar Volume: 8.974716986786
  • Full Formula: K3 H1 S2 O8
  • Reduced Formula: K3H(SO4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -84.10751060999999
  • Final energy per atom: -6.007679329285714
  • 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.