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  1. Third-Parties
  2. MatprojStructure
  3. mp-13450

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-13450
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Hf', 'Sb']
  • Chemical System: Hf-Sb
  • Density: 10.77699145212799
  • Atomic Density: 0.043231013832779226
  • Unit Cell Volume: 277.5785006203392
  • Molar Volume: 13.930140022378584
  • Full Formula: Hf6 Sb6
  • Reduced Formula: HfSb
  • Formula Anonymous: AB
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -92.164467
  • Final energy per atom: -7.6803722500000005
  • 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.