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  1. Third-Parties
  2. MatprojStructure
  3. mp-684037

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-684037
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 156
  • Number of elements: 3
  • Element list: ['K', 'Na', 'Hg']
  • Chemical System: Hg-K-Na
  • Density: 6.7926101087928
  • Atomic Density: 0.029583910578065486
  • Unit Cell Volume: 5273.136544553501
  • Molar Volume: 20.35613494743666
  • Full Formula: K58 Na2 Hg96
  • Reduced Formula: K29NaHg48
  • Formula Anonymous: AB29C48
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -135.77760397
  • Final energy per atom: -0.8703692562179487
  • 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.