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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199865

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-1199865
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Na', 'La', 'Ga', 'S']
  • Chemical System: Ga-La-Na-S
  • Density: 3.572363124747533
  • Atomic Density: 0.04319270090727209
  • Unit Cell Volume: 1296.5153561529564
  • Molar Volume: 13.942496379026137
  • Full Formula: Na4 La4 Ga16 S32
  • Reduced Formula: NaLa(GaS2)4
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -280.9054931
  • Final energy per atom: -5.016169519642857
  • 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.