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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225248

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-1225248
  • 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: 48
  • Number of elements: 3
  • Element list: ['Fe', 'B', 'P']
  • Chemical System: B-Fe-P
  • Density: 7.426815650317733
  • Atomic Density: 0.0932808439769785
  • Unit Cell Volume: 514.5751041001118
  • Molar Volume: 6.455924392671931
  • Full Formula: Fe36 B4 P8
  • Reduced Formula: Fe9BP2
  • Formula Anonymous: AB2C9
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -389.16168205
  • Final energy per atom: -8.107535042708333
  • 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.