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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192314

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-1192314
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['Hf', 'Bi']
  • Chemical System: Bi-Hf
  • Density: 12.028711017834185
  • Atomic Density: 0.036434819570596716
  • Unit Cell Volume: 658.710548943359
  • Molar Volume: 16.528531857640736
  • Full Formula: Hf8 Bi16
  • Reduced Formula: HfBi2
  • Formula Anonymous: AB2
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -144.43512685
  • Final energy per atom: -6.0181302854166665
  • 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.