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  1. Third-Parties
  2. MatprojStructure
  3. mp-644742

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-644742
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 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: 9.552797751768026
  • Atomic Density: 0.07817049658594456
  • Unit Cell Volume: 358.19140497867244
  • Molar Volume: 7.7038537850133215
  • Full Formula: Ni8 Mo16 N4
  • Reduced Formula: Ni2Mo4N
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -259.79867165
  • Final energy per atom: -9.2785239875
  • 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.