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  1. Third-Parties
  2. MatprojStructure
  3. mp-766268

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-766268
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 3
  • Element list: ['Bi', 'O', 'F']
  • Chemical System: Bi-F-O
  • Density: 8.866175832633363
  • Atomic Density: 0.06163472003957824
  • Unit Cell Volume: 535.4125074115582
  • Molar Volume: 9.770695406960446
  • Full Formula: Bi12 O16 F5
  • Reduced Formula: Bi12O16F5
  • Formula Anonymous: A5B12C16
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -196.12642762
  • Final energy per atom: -5.943225079393939
  • 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.