Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-755256

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-755256
  • 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: 9
  • Number of elements: 4
  • Element list: ['Li', 'Bi', 'B', 'O']
  • Chemical System: B-Bi-Li-O
  • Density: 5.267159906132512
  • Atomic Density: 0.08990232592138822
  • Unit Cell Volume: 100.10864466253875
  • Molar Volume: 6.6985372161181225
  • Full Formula: Li1 Bi1 B2 O5
  • Reduced Formula: LiBiB2O5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -65.58700467999999
  • Final energy per atom: -7.287444964444443
  • 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.