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  1. Third-Parties
  2. MatprojStructure
  3. mp-542154

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-542154
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Mo', 'Pd', 'N']
  • Chemical System: Mo-N-Pd
  • Density: 10.505231914483556
  • Atomic Density: 0.07375334599342868
  • Unit Cell Volume: 325.40896520326504
  • Molar Volume: 8.16524413758335
  • Full Formula: Mo12 Pd8 N4
  • Reduced Formula: Mo3Pd2N
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 213
  • Spacegroup Symbol: P4_132
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -211.50735739
  • Final energy per atom: -8.812806557916668
  • 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.