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  1. Third-Parties
  2. MatprojStructure
  3. mp-643273

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-643273
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Na', 'H', 'Pd']
  • Chemical System: H-Na-Pd
  • Density: 8.086689785887728
  • Atomic Density: 0.08487489406814087
  • Unit Cell Volume: 70.69228263404919
  • Molar Volume: 7.095314611132463
  • Full Formula: Na1 H2 Pd3
  • Reduced Formula: NaH2Pd3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -24.71894036
  • Final energy per atom: -4.119823393333333
  • 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.