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  1. Third-Parties
  2. MatprojStructure
  3. mp-758741

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-758741
  • 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: 5
  • Number of elements: 3
  • Element list: ['Li', 'Fe', 'P']
  • Chemical System: Fe-Li-P
  • Density: 4.684269843160605
  • Atomic Density: 0.07810821502529512
  • Unit Cell Volume: 64.01375320612262
  • Molar Volume: 7.709996647663434
  • Full Formula: Li1 Fe2 P2
  • Reduced Formula: Li(FeP)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -32.69995616
  • Final energy per atom: -6.539991232
  • 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.