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  1. Third-Parties
  2. MatprojStructure
  3. mp-1020023

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-1020023
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Li', 'Al', 'Si', 'O']
  • Chemical System: Al-Li-O-Si
  • Density: 2.5373713402338676
  • Atomic Density: 0.09802230842146992
  • Unit Cell Volume: 408.0703734093938
  • Molar Volume: 6.143643071642827
  • Full Formula: Li12 Al4 Si4 O20
  • Reduced Formula: Li3AlSiO5
  • Formula Anonymous: ABC3D5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -277.53834632
  • Final energy per atom: -6.938458658
  • 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.