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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227244

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-1227244
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 87
  • Number of elements: 2
  • Element list: ['Fe', 'W']
  • Chemical System: Fe-W
  • Density: 10.335993502572416
  • Atomic Density: 0.08302552380769325
  • Unit Cell Volume: 1047.870534385457
  • Molar Volume: 7.25336075439729
  • Full Formula: Fe74 W13
  • Reduced Formula: Fe74W13
  • Formula Anonymous: A13B74
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -790.0235483500002
  • Final energy per atom: -9.080730440804599
  • 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.