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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225057

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-1225057
  • 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: 24
  • Number of elements: 4
  • Element list: ['Fe', 'Mo', 'Pd', 'N']
  • Chemical System: Fe-Mo-N-Pd
  • Density: 10.241717430874983
  • Atomic Density: 0.07561873984123844
  • Unit Cell Volume: 317.38164442290366
  • Molar Volume: 7.963820572312478
  • Full Formula: Fe2 Mo12 Pd6 N4
  • Reduced Formula: FeMo6Pd3N2
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -217.05894039
  • Final energy per atom: -9.04412251625
  • 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.