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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181327

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-1181327
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['Fe', 'B']
  • Chemical System: B-Fe
  • Density: 7.577732449103881
  • Atomic Density: 0.1023497504085167
  • Unit Cell Volume: 156.32671243591633
  • Molar Volume: 5.883884167732067
  • Full Formula: Fe12 B4
  • Reduced Formula: Fe3B
  • Formula Anonymous: AB3
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -131.58405672
  • Final energy per atom: -8.224003545
  • 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.