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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217540

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-1217540
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Th', 'Fe', 'Co']
  • Chemical System: Co-Fe-Th
  • Density: 9.935686949629671
  • Atomic Density: 0.06917456902077493
  • Unit Cell Volume: 173.47415632464708
  • Molar Volume: 8.70571489674391
  • Full Formula: Th2 Fe5 Co5
  • Reduced Formula: Th2(FeCo)5
  • Formula Anonymous: A2B5C5
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -93.98139723
  • Final energy per atom: -7.8317831025
  • 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.