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  1. Third-Parties
  2. MatprojStructure
  3. mp-849393

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-849393
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 110
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'P', 'O']
  • Chemical System: Fe-Li-O-P
  • Density: 3.3388722601962844
  • Atomic Density: 0.09168305341452049
  • Unit Cell Volume: 1199.785520914801
  • Molar Volume: 6.568433898871687
  • Full Formula: Li16 Fe14 P16 O64
  • Reduced Formula: Li8Fe7(PO4)8
  • Formula Anonymous: A7B8C8D32
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -802.03175003
  • Final energy per atom: -7.2911977275454545
  • 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.