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  1. Third-Parties
  2. MatprojStructure
  3. mp-1078554

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-1078554
  • 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: 8
  • Number of elements: 3
  • Element list: ['K', 'Na', 'H']
  • Chemical System: H-K-Na
  • Density: 1.3879961065282018
  • Atomic Density: 0.05965213250917741
  • Unit Cell Volume: 134.11088025678225
  • Molar Volume: 10.095432479423096
  • Full Formula: K1 Na3 H4
  • Reduced Formula: KNa3H4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -20.46030951
  • Final energy per atom: -2.55753868875
  • 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.