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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179522

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-1179522
  • 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: ['Si', 'Pb', 'O', 'F']
  • Chemical System: F-O-Pb-Si
  • Density: 4.503708283451621
  • Atomic Density: 0.07113496874695598
  • Unit Cell Volume: 1124.6226913317282
  • Molar Volume: 8.465795186362124
  • Full Formula: Si8 Pb8 O16 F48
  • Reduced Formula: SiPb(OF3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -409.93577675
  • Final energy per atom: -5.124197209375
  • 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.