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  1. Third-Parties
  2. MatprojStructure
  3. mp-556020

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-556020
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Li', 'Al', 'F']
  • Chemical System: Al-F-Li
  • Density: 2.689778405121595
  • Atomic Density: 0.10011575388196868
  • Unit Cell Volume: 399.5375198108975
  • Molar Volume: 6.015177958006284
  • Full Formula: Li12 Al4 F24
  • Reduced Formula: Li3AlF6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -222.84733139
  • Final energy per atom: -5.57118328475
  • 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.