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  1. Third-Parties
  2. MatprojStructure
  3. mp-1097034

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-1097034
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Li', 'Si', 'P', 'S', 'Cl']
  • Chemical System: Cl-Li-P-S-Si
  • Density: 1.82388717914777
  • Atomic Density: 0.050432746368986564
  • Unit Cell Volume: 991.4193376299515
  • Molar Volume: 11.940933606787066
  • Full Formula: Li20 Si3 P3 S23 Cl1
  • Reduced Formula: Li20Si3P3S23Cl
  • Formula Anonymous: AB3C3D20E23
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -231.42026104
  • Final energy per atom: -4.6284052208
  • 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.