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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104121

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-1104121
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Li', 'La', 'Si']
  • Chemical System: La-Li-Si
  • Density: 4.26170248082288
  • Atomic Density: 0.04778621443867025
  • Unit Cell Volume: 292.97152252911496
  • Molar Volume: 12.60225533815601
  • Full Formula: Li4 La4 Si6
  • Reduced Formula: Li2La2Si3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -68.30974116
  • Final energy per atom: -4.879267225714286
  • 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.