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  1. Third-Parties
  2. MatprojStructure
  3. mp-707337

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-707337
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['K', 'H', 'Pd']
  • Chemical System: H-K-Pd
  • Density: 2.439933087300614
  • Atomic Density: 0.04536293735471573
  • Unit Cell Volume: 1234.4879601183607
  • Molar Volume: 13.275464754210777
  • Full Formula: K24 H24 Pd8
  • Reduced Formula: K3H3Pd
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -161.9036411
  • Final energy per atom: -2.8911364482142856
  • 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.