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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208581

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-1208581
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Tb', 'Hf', 'Si']
  • Chemical System: Hf-Si-Tb
  • Density: 8.98199889706446
  • Atomic Density: 0.05041281548379327
  • Unit Cell Volume: 714.1041351196362
  • Molar Volume: 11.9456544971903
  • Full Formula: Tb8 Hf12 Si16
  • Reduced Formula: Tb2Hf3Si4
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -272.13833155
  • Final energy per atom: -7.55939809861111
  • 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.