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  1. Third-Parties
  2. MatprojStructure
  3. mp-1097757

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-1097757
  • 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: 36
  • Number of elements: 2
  • Element list: ['Cr', 'N']
  • Chemical System: Cr-N
  • Density: 1.6371475249508114
  • Atomic Density: 0.03696735828950251
  • Unit Cell Volume: 973.8320958201331
  • Molar Volume: 16.29042766009625
  • Full Formula: Cr12 N24
  • Reduced Formula: CrN2
  • Formula Anonymous: AB2
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -311.91975572
  • Final energy per atom: -8.66443765888889
  • 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.