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  1. Third-Parties
  2. MatprojStructure
  3. mp-569059

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-569059
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 2
  • Element list: ['Hf', 'I']
  • Chemical System: Hf-I
  • Density: 4.81529757861006
  • Atomic Density: 0.02113253664255989
  • Unit Cell Volume: 946.4079177187363
  • Molar Volume: 28.49700848440364
  • Full Formula: Hf4 I16
  • Reduced Formula: HfI4
  • Formula Anonymous: AB4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -88.54514778000001
  • Final energy per atom: -4.427257389
  • 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.