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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210789

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-1210789
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Li', 'Si', 'S']
  • Chemical System: Li-S-Si
  • Density: 1.9148621773900747
  • Atomic Density: 0.05007829000877162
  • Unit Cell Volume: 239.62479545324135
  • Molar Volume: 12.025452065046894
  • Full Formula: Li4 Si2 S6
  • Reduced Formula: Li2SiS3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -58.99041136000001
  • Final energy per atom: -4.915867613333334
  • 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.