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  1. Third-Parties
  2. MatprojStructure
  3. mp-14589

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-14589
  • 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: 18
  • Number of elements: 3
  • Element list: ['Hf', 'Si', 'Ni']
  • Chemical System: Hf-Ni-Si
  • Density: 8.790093979983759
  • Atomic Density: 0.07381701663465924
  • Unit Cell Volume: 243.84621352400302
  • Molar Volume: 8.15820123130312
  • Full Formula: Hf4 Si8 Ni6
  • Reduced Formula: Hf2Si4Ni3
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -130.83674406
  • Final energy per atom: -7.268708003333334
  • 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.