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  1. Third-Parties
  2. MatprojStructure
  3. mp-8312

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-8312
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 2
  • Element list: ['Ta', 'As']
  • Chemical System: As-Ta
  • Density: 11.829078152470979
  • Atomic Density: 0.053230955653602634
  • Unit Cell Volume: 169.0745523820196
  • Molar Volume: 11.313230593094614
  • Full Formula: Ta5 As4
  • Reduced Formula: Ta5As4
  • Formula Anonymous: A4B5
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -82.55773933999998
  • Final energy per atom: -9.173082148888888
  • 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.