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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246564

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-1246564
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Cr', 'Co', 'N']
  • Chemical System: Co-Cr-N
  • Density: 6.065123307100403
  • Atomic Density: 0.10342999760783819
  • Unit Cell Volume: 116.02049963782083
  • Molar Volume: 5.822431498870718
  • Full Formula: Cr2 Co4 N6
  • Reduced Formula: CrCo2N3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -100.50104059
  • Final energy per atom: -8.375086715833334
  • 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.