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  1. Third-Parties
  2. MatprojStructure
  3. mp-983480

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-983480
  • 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: 29
  • Number of elements: 3
  • Element list: ['Hf', 'Al', 'Rh']
  • Chemical System: Al-Hf-Rh
  • Density: 7.921041699116016
  • Atomic Density: 0.062229317163273803
  • Unit Cell Volume: 466.01829044518394
  • Molar Volume: 9.677337040674004
  • Full Formula: Hf6 Al16 Rh7
  • Reduced Formula: Hf6Al16Rh7
  • Formula Anonymous: A6B7C16
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -194.15819677
  • Final energy per atom: -6.6951102334482755
  • 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.