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  1. Third-Parties
  2. MatprojStructure
  3. mp-1232782

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-1232782
  • 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: 8
  • Number of elements: 2
  • Element list: ['Cr', 'N']
  • Chemical System: Cr-N
  • Density: 6.126142193788892
  • Atomic Density: 0.11179068348470418
  • Unit Cell Volume: 71.56231405539805
  • Molar Volume: 5.386979104411669
  • Full Formula: Cr4 N4
  • Reduced Formula: CrN
  • Formula Anonymous: AB
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -77.10990208
  • Final energy per atom: -9.63873776
  • 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.