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  1. Third-Parties
  2. MatprojStructure
  3. mp-757582

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-757582
  • 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: 128
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'P', 'O']
  • Chemical System: Fe-Li-O-P
  • Density: 2.6636385041579334
  • Atomic Density: 0.08863819716390135
  • Unit Cell Volume: 1444.0726920845934
  • Molar Volume: 6.794069546410594
  • Full Formula: Li32 Fe8 P16 O72
  • Reduced Formula: Li4FeP2O9
  • Formula Anonymous: AB2C4D9
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -871.51614642
  • Final energy per atom: -6.80871989390625
  • 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.