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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079038

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-1079038
  • 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: 9
  • Number of elements: 3
  • Element list: ['Hf', 'Sn', 'Ir']
  • Chemical System: Hf-Ir-Sn
  • Density: 14.02441611804002
  • Atomic Density: 0.051769967922346165
  • Unit Cell Volume: 173.8459643919387
  • Molar Volume: 11.632498534735586
  • Full Formula: Hf3 Sn3 Ir3
  • Reduced Formula: HfSnIr
  • Formula Anonymous: ABC
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -74.66976846
  • Final energy per atom: -8.29664094
  • 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.