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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245694

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-1245694
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Cr', 'Ni', 'N']
  • Chemical System: Cr-N-Ni
  • Density: 6.518125589318397
  • Atomic Density: 0.10511111845377355
  • Unit Cell Volume: 171.2473453311807
  • Molar Volume: 5.729308990892773
  • Full Formula: Cr4 Ni6 N8
  • Reduced Formula: Cr2Ni3N4
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -142.36914841
  • Final energy per atom: -7.9093971338888895
  • 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.