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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197284

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-1197284
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['B', 'Pb', 'O', 'F']
  • Chemical System: B-F-O-Pb
  • Density: 5.35529838331543
  • Atomic Density: 0.0787942745107567
  • Unit Cell Volume: 558.4162081978848
  • Molar Volume: 7.64286592825711
  • Full Formula: B12 Pb6 O22 F4
  • Reduced Formula: B6Pb3O11F2
  • Formula Anonymous: A2B3C6D11
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -330.97371985
  • Final energy per atom: -7.522129996590909
  • 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.