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  1. Third-Parties
  2. MatprojStructure
  3. mp-1314

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-1314
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 2
  • Element list: ['Li', 'Si']
  • Chemical System: Li-Si
  • Density: 1.5518017566806515
  • Atomic Density: 0.06343845313004094
  • Unit Cell Volume: 2396.023113748043
  • Molar Volume: 9.492887141581715
  • Full Formula: Li96 Si56
  • Reduced Formula: Li12Si7
  • Formula Anonymous: A7B12
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -520.81048617
  • Final energy per atom: -3.4263847774342104
  • 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.