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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191817

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-1191817
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Li', 'In', 'Si', 'Se']
  • Chemical System: In-Li-Se-Si
  • Density: 4.2343075835552195
  • Atomic Density: 0.03763204923225892
  • Unit Cell Volume: 584.6080787208679
  • Molar Volume: 16.002691543137395
  • Full Formula: Li4 In4 Si2 Se12
  • Reduced Formula: Li2In2SiSe6
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -93.59812797
  • Final energy per atom: -4.254460362272727
  • 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.