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  1. Third-Parties
  2. MatprojStructure
  3. mp-756683

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-756683
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Hf', 'Bi', 'O']
  • Chemical System: Bi-Hf-O
  • Density: 9.112183965292006
  • Atomic Density: 0.0729285634715643
  • Unit Cell Volume: 329.08916421146677
  • Molar Volume: 8.257588622800865
  • Full Formula: Hf4 Bi4 O16
  • Reduced Formula: HfBiO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -199.82530188
  • Final energy per atom: -8.326054245
  • 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.