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  1. Third-Parties
  2. MatprojStructure
  3. mp-20885

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-20885
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 2
  • Element list: ['Fe', 'P']
  • Chemical System: Fe-P
  • Density: 5.968168736459096
  • Atomic Density: 0.07065189824636546
  • Unit Cell Volume: 70.769506893712
  • Molar Volume: 8.523678640594483
  • Full Formula: Fe4 P1
  • Reduced Formula: Fe4P
  • Formula Anonymous: AB4
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -37.23713437
  • Final energy per atom: -7.447426874
  • 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.