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  1. Third-Parties
  2. MatprojStructure
  3. mp-9522

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-9522
  • 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: 9
  • Number of elements: 3
  • Element list: ['K', 'Th', 'Se']
  • Chemical System: K-Se-Th
  • Density: 6.088662776501208
  • Atomic Density: 0.03377924371181492
  • Unit Cell Volume: 266.4358052768388
  • Molar Volume: 17.827932476456375
  • Full Formula: K1 Th2 Se6
  • Reduced Formula: K(ThSe3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -53.06194794
  • Final energy per atom: -5.895771993333334
  • 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.