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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217048

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-1217048
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 2
  • Element list: ['Ti', 'N']
  • Chemical System: N-Ti
  • Density: 4.951788137368619
  • Atomic Density: 0.0855829691478312
  • Unit Cell Volume: 151.8993805595192
  • Molar Volume: 7.036611162201786
  • Full Formula: Ti8 N5
  • Reduced Formula: Ti8N5
  • Formula Anonymous: A5B8
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -125.13594493000002
  • Final energy per atom: -9.62584191769231
  • 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.