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  1. Third-Parties
  2. MatprojStructure
  3. mp-768988

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-768988
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Li', 'Bi', 'O']
  • Chemical System: Bi-Li-O
  • Density: 5.280736728630087
  • Atomic Density: 0.06653989600209158
  • Unit Cell Volume: 661.2574206400462
  • Molar Volume: 9.050421058383835
  • Full Formula: Li16 Bi8 O20
  • Reduced Formula: Li4Bi2O5
  • Formula Anonymous: A2B4C5
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -241.87917084
  • Final energy per atom: -5.497253882727272
  • 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.