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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212682

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-1212682
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Fe', 'Si', 'Ni']
  • Chemical System: Fe-Ni-Si
  • Density: 7.405639939552351
  • Atomic Density: 0.08768259648661399
  • Unit Cell Volume: 228.09543514206138
  • Molar Volume: 6.86811408569472
  • Full Formula: Fe12 Si4 Ni4
  • Reduced Formula: Fe3SiNi
  • Formula Anonymous: ABC3
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -151.6137548
  • Final energy per atom: -7.58068774
  • 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.