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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195003

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-1195003
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['B', 'Pb', 'O', 'F']
  • Chemical System: B-F-O-Pb
  • Density: 7.144696636516852
  • Atomic Density: 0.05915800556324568
  • Unit Cell Volume: 1352.3106338409634
  • Molar Volume: 10.179756235293874
  • Full Formula: B12 Pb24 O40 F4
  • Reduced Formula: B3Pb6O10F
  • Formula Anonymous: AB3C6D10
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -544.57788352
  • Final energy per atom: -6.807223544
  • 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.