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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224579

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-1224579
  • 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: 16
  • Number of elements: 3
  • Element list: ['Hf', 'Ni', 'Sb']
  • Chemical System: Hf-Ni-Sb
  • Density: 12.096669807522497
  • Atomic Density: 0.04752767534495386
  • Unit Cell Volume: 336.64596224984024
  • Molar Volume: 12.670808568463652
  • Full Formula: Hf10 Ni1 Sb5
  • Reduced Formula: Hf10NiSb5
  • Formula Anonymous: AB5C10
  • Spacegroup Number: 97
  • Spacegroup Symbol: I422
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -134.73418326
  • Final energy per atom: -8.42088645375
  • 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.