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  1. Third-Parties
  2. MatprojStructure
  3. mp-558310

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-558310
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Ba', 'Li', 'Si', 'O']
  • Chemical System: Ba-Li-O-Si
  • Density: 3.8830886305024093
  • Atomic Density: 0.07689359851642473
  • Unit Cell Volume: 624.2392205086752
  • Molar Volume: 7.831784278783168
  • Full Formula: Ba6 Li12 Si6 O24
  • Reduced Formula: BaLi2SiO4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 185
  • Spacegroup Symbol: P6_3cm
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -328.89837643
  • Final energy per atom: -6.852049508958333
  • 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.