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  1. Third-Parties
  2. MatprojStructure
  3. mp-754496

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-754496
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Li', 'Sb', 'S']
  • Chemical System: Li-S-Sb
  • Density: 2.5179637092983636
  • Atomic Density: 0.05630123759531459
  • Unit Cell Volume: 497.3247693285195
  • Molar Volume: 10.696284872610267
  • Full Formula: Li20 Sb4 S4
  • Reduced Formula: Li5SbS
  • Formula Anonymous: ABC5
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -98.60442061
  • Final energy per atom: -3.5215864503571432
  • 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.