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  1. Third-Parties
  2. MatprojStructure
  3. mp-849779

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-849779
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['Li', 'Si', 'Bi', 'O']
  • Chemical System: Bi-Li-O-Si
  • Density: 3.427239615614661
  • Atomic Density: 0.0746294580759978
  • Unit Cell Volume: 1179.1590381158403
  • Molar Volume: 8.06938830222704
  • Full Formula: Li4 Si24 Bi4 O56
  • Reduced Formula: LiSi6BiO14
  • Formula Anonymous: ABC6D14
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -695.62833409
  • Final energy per atom: -7.904867432840908
  • 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.