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  1. Third-Parties
  2. MatprojStructure
  3. mp-12964

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-12964
  • 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: ['Tb', 'Ni', 'B']
  • Chemical System: B-Ni-Tb
  • Density: 9.011435010592614
  • Atomic Density: 0.08049462828116054
  • Unit Cell Volume: 149.078270888898
  • Molar Volume: 7.481419429586285
  • Full Formula: Tb2 Ni8 B2
  • Reduced Formula: TbNi4B
  • Formula Anonymous: ABC4
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -74.79529258
  • Final energy per atom: -6.232941048333333
  • 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.