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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196451

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-1196451
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Ga', 'Sb', 'S', 'Cl']
  • Chemical System: Cl-Ga-S-Sb
  • Density: 3.1213416565123207
  • Atomic Density: 0.033152850926092534
  • Unit Cell Volume: 1930.4523807824203
  • Molar Volume: 18.164774949295087
  • Full Formula: Ga6 Sb14 S16 Cl28
  • Reduced Formula: Ga3Sb7(S4Cl7)2
  • Formula Anonymous: A3B7C8D14
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -265.65115476
  • Final energy per atom: -4.150799293125
  • 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.