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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229224

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-1229224
  • 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: 46
  • Number of elements: 5
  • Element list: ['Al', 'B', 'Pb', 'O', 'F']
  • Chemical System: Al-B-F-O-Pb
  • Density: 7.209136209951453
  • Atomic Density: 0.06497525065687335
  • Unit Cell Volume: 707.961870634722
  • Molar Volume: 9.268360951467841
  • Full Formula: Al2 B4 Pb12 O14 F14
  • Reduced Formula: AlB2Pb6(OF)7
  • Formula Anonymous: AB2C6D7E7
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -290.82958641
  • Final energy per atom: -6.322382313260869
  • 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.