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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221694

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-1221694
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 172
  • Number of elements: 5
  • Element list: ['Na', 'Sr', 'H', 'Pd', 'O']
  • Chemical System: H-Na-O-Pd-Sr
  • Density: 3.6694013964604086
  • Atomic Density: 0.09043704586732366
  • Unit Cell Volume: 1901.875479793246
  • Molar Volume: 6.6589313065741065
  • Full Formula: Na4 Sr24 H68 Pd8 O68
  • Reduced Formula: NaSr6H17Pd2O17
  • Formula Anonymous: AB2C6D17E17
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -969.43053964
  • Final energy per atom: -5.636224067674418
  • 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.