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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217364

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-1217364
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Th', 'Fe', 'Ni']
  • Chemical System: Fe-Ni-Th
  • Density: 9.895510923444773
  • Atomic Density: 0.06897452791317979
  • Unit Cell Volume: 173.97726904495445
  • Molar Volume: 8.730963360242555
  • Full Formula: Th2 Fe5 Ni5
  • Reduced Formula: Th2(FeNi)5
  • Formula Anonymous: A2B5C5
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -88.34328267
  • Final energy per atom: -7.3619402224999995
  • 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.