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  1. Third-Parties
  2. MatprojStructure
  3. mp-567273

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-567273
  • 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: 40
  • Number of elements: 2
  • Element list: ['Hf', 'I']
  • Chemical System: Hf-I
  • Density: 3.51101528866786
  • Atomic Density: 0.015408530423944949
  • Unit Cell Volume: 2595.9646312434675
  • Molar Volume: 39.08316104332414
  • Full Formula: Hf8 I32
  • Reduced Formula: HfI4
  • Formula Anonymous: AB4
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -175.88976662
  • Final energy per atom: -4.3972441655
  • 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.