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  1. Third-Parties
  2. MatprojStructure
  3. mp-559814

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-559814
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Li', 'Sb', 'S', 'I']
  • Chemical System: I-Li-S-Sb
  • Density: 3.103335930396204
  • Atomic Density: 0.04059004760559833
  • Unit Cell Volume: 1084.0095687380115
  • Molar Volume: 14.83649592756182
  • Full Formula: Li20 Sb4 S12 I8
  • Reduced Formula: Li5SbS3I2
  • Formula Anonymous: AB2C3D5
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -172.46181021
  • Final energy per atom: -3.9195865956818183
  • 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.