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  1. Third-Parties
  2. MatprojStructure
  3. mp-1101037

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-1101037
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ti', 'N', 'F']
  • Chemical System: F-N-Ti
  • Density: 0.02014371707983917
  • Atomic Density: 0.00045000053761305855
  • Unit Cell Volume: 13333.317404076555
  • Molar Volume: 1338.2519034184468
  • Full Formula: Ti2 N2 F2
  • Reduced Formula: TiNF
  • Formula Anonymous: ABC
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -37.10921936
  • Final energy per atom: -6.184869893333333
  • 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.