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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104139

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-1104139
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Ta', 'Ni', 'P']
  • Chemical System: Ni-P-Ta
  • Density: 12.08733128791585
  • Atomic Density: 0.07489986607229333
  • Unit Cell Volume: 173.56506335341646
  • Molar Volume: 8.040255711789166
  • Full Formula: Ta5 Ni4 P4
  • Reduced Formula: Ta5(NiP)4
  • Formula Anonymous: A4B4C5
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -114.24807277
  • Final energy per atom: -8.78831329
  • 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.