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  1. Third-Parties
  2. MatprojStructure
  3. mp-542931

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-542931
  • 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: 50
  • Number of elements: 3
  • Element list: ['Bi', 'B', 'O']
  • Chemical System: B-Bi-O
  • Density: 3.9326848654675683
  • Atomic Density: 0.0795335695134508
  • Unit Cell Volume: 628.6653586136852
  • Molar Volume: 7.571822561014981
  • Full Formula: Bi4 B16 O30
  • Reduced Formula: Bi2B8O15
  • Formula Anonymous: A2B8C15
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -402.20647094
  • Final energy per atom: -8.044129418799999
  • 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.