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  1. Third-Parties
  2. MatprojStructure
  3. mp-1176962

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-1176962
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Li', 'Ti', 'Fe', 'P', 'O']
  • Chemical System: Fe-Li-O-P-Ti
  • Density: 2.8474251647125373
  • Atomic Density: 0.08458339424014687
  • Unit Cell Volume: 472.9060634104265
  • Molar Volume: 7.119767200287685
  • Full Formula: Li6 Ti3 Fe1 P6 O24
  • Reduced Formula: Li6Ti3Fe(PO4)6
  • Formula Anonymous: AB3C6D6E24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -306.43240683
  • Final energy per atom: -7.66081017075
  • 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.