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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197353

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-1197353
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Ba', 'Li', 'Ga', 'Se']
  • Chemical System: Ba-Ga-Li-Se
  • Density: 4.838203002710045
  • Atomic Density: 0.034604027533845894
  • Unit Cell Volume: 1271.5282912361572
  • Molar Volume: 17.40300534124185
  • Full Formula: Ba8 Li2 Ga10 Se24
  • Reduced Formula: Ba4LiGa5Se12
  • Formula Anonymous: AB4C5D12
  • Spacegroup Number: 114
  • Spacegroup Symbol: P-42_1c
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -198.22592253
  • Final energy per atom: -4.505134602954545
  • 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.