Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-758654

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-758654
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'P', 'O']
  • Chemical System: Fe-Li-O-P
  • Density: 2.964509770712252
  • Atomic Density: 0.08553683135834655
  • Unit Cell Volume: 467.63481139983634
  • Molar Volume: 7.040406646314668
  • Full Formula: Li6 Fe4 P6 O24
  • Reduced Formula: Li3Fe2(PO4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -296.62112444
  • Final energy per atom: -7.415528111
  • 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.