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  1. Third-Parties
  2. MatprojStructure
  3. mp-768776

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-768776
  • 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: 72
  • Number of elements: 4
  • Element list: ['Li', 'Bi', 'B', 'O']
  • Chemical System: B-Bi-Li-O
  • Density: 6.097644981745717
  • Atomic Density: 0.10407743001376599
  • Unit Cell Volume: 691.7926392924652
  • Molar Volume: 5.786212014654351
  • Full Formula: Li8 Bi8 B16 O40
  • Reduced Formula: LiBiB2O5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -525.60620941
  • Final energy per atom: -7.300086241805555
  • 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.