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  1. Third-Parties
  2. MatprojStructure
  3. mp-1867

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-1867
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Ta', 'Ni']
  • Chemical System: Ni-Ta
  • Density: 14.78623216926157
  • Atomic Density: 0.06351431273034139
  • Unit Cell Volume: 94.46689639032721
  • Molar Volume: 9.48154912038144
  • Full Formula: Ta4 Ni2
  • Reduced Formula: Ta2Ni
  • Formula Anonymous: AB2
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -60.40198748
  • Final energy per atom: -10.066997913333333
  • 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.