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  1. Third-Parties
  2. MatprojStructure
  3. mp-13472

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-13472
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Hf', 'Si', 'Rh']
  • Chemical System: Hf-Rh-Si
  • Density: 10.767332393005256
  • Atomic Density: 0.06285593426038442
  • Unit Cell Volume: 190.91276171776067
  • Molar Volume: 9.580862699539118
  • Full Formula: Hf4 Si4 Rh4
  • Reduced Formula: HfSiRh
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -103.80460709
  • Final energy per atom: -8.650383924166666
  • 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.