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  1. Third-Parties
  2. MatprojStructure
  3. mp-780568

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-780568
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'P', 'O']
  • Chemical System: Fe-Li-O-P
  • Density: 2.9231168772748557
  • Atomic Density: 0.08711113287587043
  • Unit Cell Volume: 964.2854733584552
  • Molar Volume: 6.9131700635569615
  • Full Formula: Li16 Fe8 P12 O48
  • Reduced Formula: Li4Fe2(PO4)3
  • Formula Anonymous: A2B3C4D12
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -610.62458003
  • Final energy per atom: -7.26934023845238
  • 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.