Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-4091

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-4091
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Ni', 'Mo', 'N']
  • Chemical System: Mo-N-Ni
  • Density: 9.425318485130456
  • Atomic Density: 0.081238692902162
  • Unit Cell Volume: 295.42572809367897
  • Molar Volume: 7.412897161273421
  • Full Formula: Ni8 Mo12 N4
  • Reduced Formula: Ni2Mo3N
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 213
  • Spacegroup Symbol: P4_132
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -217.35277042
  • Final energy per atom: -9.056365434166667
  • 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.