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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208557

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-1208557
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ta', 'Si', 'Ni']
  • Chemical System: Ni-Si-Ta
  • Density: 10.975314011865462
  • Atomic Density: 0.0740623174351424
  • Unit Cell Volume: 162.0257158508252
  • Molar Volume: 8.131180563278605
  • Full Formula: Ta4 Si4 Ni4
  • Reduced Formula: TaSiNi
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -100.20856195
  • Final energy per atom: -8.350713495833334
  • 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.