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  1. Third-Parties
  2. MatprojStructure
  3. mp-6711

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-6711
  • 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: 80
  • Number of elements: 4
  • Element list: ['Na', 'Li', 'Al', 'F']
  • Chemical System: Al-F-Li-Na
  • Density: 2.6416154745363385
  • Atomic Density: 0.08558853952804096
  • Unit Cell Volume: 934.7045812575174
  • Molar Volume: 7.036153196687034
  • Full Formula: Na12 Li12 Al8 F48
  • Reduced Formula: Na3Li3Al2F12
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -437.76570748
  • Final energy per atom: -5.4720713435
  • 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.