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  1. Third-Parties
  2. MatprojStructure
  3. mp-1096968

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-1096968
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 2
  • Element list: ['Cr', 'N']
  • Chemical System: Cr-N
  • Density: 1.7432495569044233
  • Atomic Density: 0.03936317892917961
  • Unit Cell Volume: 2438.8274171839303
  • Molar Volume: 15.298918745446743
  • Full Formula: Cr32 N64
  • Reduced Formula: CrN2
  • Formula Anonymous: AB2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -851.3991873800001
  • Final energy per atom: -8.868741535208335
  • 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.