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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217349

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-1217349
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Th', 'Fe', 'Ni']
  • Chemical System: Fe-Ni-Th
  • Density: 9.475032057317728
  • Atomic Density: 0.06659253630455754
  • Unit Cell Volume: 90.10018739276289
  • Molar Volume: 9.043266849693257
  • Full Formula: Th1 Fe4 Ni1
  • Reduced Formula: ThFe4Ni
  • Formula Anonymous: ABC4
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -47.63993052
  • Final energy per atom: -7.93998842
  • 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.