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  1. Third-Parties
  2. MatprojStructure
  3. mp-631296

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-631296
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['K', 'Hf', 'Ni']
  • Chemical System: Hf-K-Ni
  • Density: 6.705267410456573
  • Atomic Density: 0.04384662197296962
  • Unit Cell Volume: 68.4203221367755
  • Molar Volume: 13.734560358406869
  • Full Formula: K1 Hf1 Ni1
  • Reduced Formula: KHfNi
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -10.8893385
  • Final energy per atom: -3.6297794999999997
  • 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.