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  1. Third-Parties
  2. MatprojStructure
  3. mp-569794

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-569794
  • 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: 30
  • Number of elements: 1
  • Element list: ['Ta']
  • Chemical System: Ta
  • Density: 16.05565001820195
  • Atomic Density: 0.05343493631222564
  • Unit Cell Volume: 561.4304436465877
  • Molar Volume: 11.270043861963329
  • Full Formula: Ta30
  • Reduced Formula: Ta
  • Formula Anonymous: A
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -355.52228672
  • Final energy per atom: -11.850742890666668
  • 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.