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  1. Third-Parties
  2. MatprojStructure
  3. mp-1093574

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-1093574
  • 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: 4
  • Number of elements: 3
  • Element list: ['Hf', 'Ti', 'Ir']
  • Chemical System: Hf-Ir-Ti
  • Density: 1.1637716247664815
  • Atomic Density: 0.004695239732597916
  • Unit Cell Volume: 851.9266805971515
  • Molar Volume: 128.2605596938902
  • Full Formula: Hf2 Ti1 Ir1
  • Reduced Formula: Hf2TiIr
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -22.83341011
  • Final energy per atom: -5.7083525275
  • 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.