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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217451

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-1217451
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 5
  • Element list: ['Tb', 'Y', 'Ni', 'B', 'C']
  • Chemical System: B-C-Ni-Tb-Y
  • Density: 6.5689929288246915
  • Atomic Density: 0.0922022270286976
  • Unit Cell Volume: 260.29740032776095
  • Molar Volume: 6.531448267649361
  • Full Formula: Tb1 Y3 Ni8 B8 C4
  • Reduced Formula: TbY3Ni8(B2C)4
  • Formula Anonymous: AB3C4D8E8
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -172.76446768
  • Final energy per atom: -7.198519486666666
  • 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.