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  1. Third-Parties
  2. MatprojStructure
  3. mp-676800

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-676800
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Ti', 'Ni', 'N']
  • Chemical System: N-Ni-Ti
  • Density: 5.653181109584741
  • Atomic Density: 0.10455591367492782
  • Unit Cell Volume: 191.28521091768658
  • Molar Volume: 5.759732327262988
  • Full Formula: Ti7 Ni3 N10
  • Reduced Formula: Ti7Ni3N10
  • Formula Anonymous: A3B7C10
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -177.62855895
  • Final energy per atom: -8.8814279475
  • 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.