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  1. Third-Parties
  2. MatprojStructure
  3. mp-542316

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-542316
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Co', 'Mo', 'N']
  • Chemical System: Co-Mo-N
  • Density: 9.403080552446204
  • Atomic Density: 0.08095440601705199
  • Unit Cell Volume: 296.4631720594023
  • Molar Volume: 7.438928967907583
  • Full Formula: Co8 Mo12 N4
  • Reduced Formula: Co2Mo3N
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 213
  • Spacegroup Symbol: P4_132
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -225.40348757
  • Final energy per atom: -9.391811982083334
  • 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.