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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196966

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-1196966
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Li', 'B', 'S', 'Cl', 'O']
  • Chemical System: B-Cl-Li-O-S
  • Density: 1.8093718266391308
  • Atomic Density: 0.05037301583418129
  • Unit Cell Volume: 992.5949275022725
  • Molar Volume: 11.955092742161362
  • Full Formula: Li2 B12 S8 Cl12 O16
  • Reduced Formula: LiB6S4(Cl3O4)2
  • Formula Anonymous: AB4C6D6E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -286.17852573
  • Final energy per atom: -5.7235705145999995
  • 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.