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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227181

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-1227181
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 5
  • Element list: ['Ca', 'La', 'Ga', 'S', 'O']
  • Chemical System: Ca-Ga-La-O-S
  • Density: 3.698421456235391
  • Atomic Density: 0.044803053854946824
  • Unit Cell Volume: 535.6777704863995
  • Molar Volume: 13.441362232800296
  • Full Formula: Ca2 La2 Ga6 S12 O2
  • Reduced Formula: CaLaGa3S6O
  • Formula Anonymous: ABCD3E6
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -133.81493189
  • Final energy per atom: -5.5756221620833335
  • 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.