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  1. Third-Parties
  2. MatprojStructure
  3. mp-25420

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-25420
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Li', 'Ti', 'P', 'O', 'F']
  • Chemical System: F-Li-O-P-Ti
  • Density: 3.0060705416097866
  • Atomic Density: 0.08580741625944732
  • Unit Cell Volume: 186.46406916183557
  • Molar Volume: 7.0182054448434315
  • Full Formula: Li2 Ti2 P2 O8 F2
  • Reduced Formula: LiTiPO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -122.15063913
  • Final energy per atom: -7.634414945625
  • 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.