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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247130

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-1247130
  • Created at: Sept. 4, 2022, 2:43 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: ['Ti', 'Cr', 'N']
  • Chemical System: Cr-N-Ti
  • Density: 5.9731638141286165
  • Atomic Density: 0.1038036962996667
  • Unit Cell Volume: 173.40422973028367
  • Molar Volume: 5.8014704434174735
  • Full Formula: Ti2 Cr8 N8
  • Reduced Formula: Ti(CrN)4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -172.86296852000004
  • Final energy per atom: -9.603498251111112
  • 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.