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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224612

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-1224612
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Hf', 'Fe', 'Sb']
  • Chemical System: Fe-Hf-Sb
  • Density: 12.013288997920137
  • Atomic Density: 0.04789942337186503
  • Unit Cell Volume: 668.0664974099883
  • Molar Volume: 12.572470263884766
  • Full Formula: Hf20 Fe3 Sb9
  • Reduced Formula: Hf20(FeSb3)3
  • Formula Anonymous: A3B9C20
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -277.60717395
  • Final energy per atom: -8.6752241859375
  • 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.