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  1. Third-Parties
  2. MatprojStructure
  3. mp-1446325

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-1446325
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ti', 'Zn', 'N']
  • Chemical System: N-Ti-Zn
  • Density: 5.610245809415161
  • Atomic Density: 0.08172702346552718
  • Unit Cell Volume: 122.3585489347724
  • Molar Volume: 7.368604048745475
  • Full Formula: Ti2 Zn4 N4
  • Reduced Formula: Ti(ZnN)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -57.82646932
  • Final energy per atom: -5.7826469320000005
  • 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.