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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223830

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-1223830
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Hf', 'B', 'Ir']
  • Chemical System: B-Hf-Ir
  • Density: 18.832937122116526
  • Atomic Density: 0.06710512669608486
  • Unit Cell Volume: 134.11791979412342
  • Molar Volume: 8.97418879376224
  • Full Formula: Hf2 B1 Ir6
  • Reduced Formula: Hf2BIr6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -86.70132434
  • Final energy per atom: -9.633480482222222
  • 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.