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  1. Third-Parties
  2. MatprojStructure
  3. mp-733853

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-733853
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['K', 'H', 'I', 'Cl', 'O']
  • Chemical System: Cl-H-I-K-O
  • Density: 3.469253653129605
  • Atomic Density: 0.05397805009996228
  • Unit Cell Volume: 889.25035104285
  • Molar Volume: 11.1566474684572
  • Full Formula: K8 H4 I8 Cl4 O24
  • Reduced Formula: K2HI2ClO6
  • Formula Anonymous: ABC2D2E6
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -225.59991345
  • Final energy per atom: -4.699998196875
  • 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.