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  1. Third-Parties
  2. MatprojStructure
  3. mp-581805

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-581805
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ni', 'Mo', 'N']
  • Chemical System: Mo-N-Ni
  • Density: 9.447121494025547
  • Atomic Density: 0.0833307215347859
  • Unit Cell Volume: 336.01053110180465
  • Molar Volume: 7.2267954112050905
  • Full Formula: Ni12 Mo12 N4
  • Reduced Formula: Ni3Mo3N
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -239.42069394
  • Final energy per atom: -8.550739069285715
  • 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.