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  1. Third-Parties
  2. MatprojStructure
  3. mp-15297

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-15297
  • 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: 9
  • Number of elements: 3
  • Element list: ['Hf', 'Ni', 'Sb']
  • Chemical System: Hf-Ni-Sb
  • Density: 12.209880056905412
  • Atomic Density: 0.048193198772788465
  • Unit Cell Volume: 186.7483426952292
  • Molar Volume: 12.495831182304311
  • Full Formula: Hf6 Ni1 Sb2
  • Reduced Formula: Hf6NiSb2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -78.61173961
  • Final energy per atom: -8.734637734444444
  • 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.