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  1. Third-Parties
  2. MatprojStructure
  3. mp-706273

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-706273
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['K', 'H', 'I', 'O']
  • Chemical System: H-I-K-O
  • Density: 3.9762184711278916
  • Atomic Density: 0.06141224975651956
  • Unit Cell Volume: 1302.6717034007886
  • Molar Volume: 9.806090452435647
  • Full Formula: K8 H8 I16 O48
  • Reduced Formula: KH(IO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -390.35724159
  • Final energy per atom: -4.879465519875
  • 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.