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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247349

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-1247349
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Sr', 'Ti', 'N']
  • Chemical System: N-Sr-Ti
  • Density: 4.4355749146640475
  • Atomic Density: 0.05798187367150074
  • Unit Cell Volume: 620.8836955487129
  • Molar Volume: 10.386247250509264
  • Full Formula: Sr12 Ti8 N16
  • Reduced Formula: Sr3(TiN2)2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -260.15739425
  • Final energy per atom: -7.226594284722221
  • 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.