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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245402

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-1245402
  • 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: 14
  • Number of elements: 3
  • Element list: ['Cr', 'Ni', 'N']
  • Chemical System: Cr-N-Ni
  • Density: 6.450635581864721
  • Atomic Density: 0.10067755377418913
  • Unit Cell Volume: 139.0578085697311
  • Molar Volume: 5.9816121213146785
  • Full Formula: Cr2 Ni6 N6
  • Reduced Formula: Cr(NiN)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -103.1664211
  • Final energy per atom: -7.369030078571428
  • 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.