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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224794

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-1224794
  • 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: 29
  • Number of elements: 3
  • Element list: ['Fe', 'B', 'W']
  • Chemical System: B-Fe-W
  • Density: 8.212432519658035
  • Atomic Density: 0.09708523642802283
  • Unit Cell Volume: 298.7065908986075
  • Molar Volume: 6.202941849417756
  • Full Formula: Fe22 B6 W1
  • Reduced Formula: Fe22B6W
  • Formula Anonymous: AB6C22
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -240.79677715
  • Final energy per atom: -8.303337143103448
  • 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.