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  1. Third-Parties
  2. MatprojStructure
  3. mp-41795

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-41795
  • 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: 16
  • Number of elements: 5
  • Element list: ['Li', 'Al', 'P', 'O', 'F']
  • Chemical System: Al-F-Li-O-P
  • Density: 3.016448827958698
  • Atomic Density: 0.09826328471100283
  • Unit Cell Volume: 162.8278562746685
  • Molar Volume: 6.128576688344394
  • Full Formula: Li2 Al2 P2 O8 F2
  • Reduced Formula: LiAlPO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -115.56270036
  • Final energy per atom: -7.2226687725
  • 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.