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  1. Third-Parties
  2. MatprojStructure
  3. mp-22409

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-22409
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Hf', 'B', 'Ir']
  • Chemical System: B-Hf-Ir
  • Density: 17.2390837626284
  • Atomic Density: 0.06838213793770773
  • Unit Cell Volume: 292.47403785793995
  • Molar Volume: 8.806599123130418
  • Full Formula: Hf6 B4 Ir10
  • Reduced Formula: Hf3B2Ir5
  • Formula Anonymous: A2B3C5
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -191.5772013
  • Final energy per atom: -9.578860065
  • 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.