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  1. Third-Parties
  2. MatprojStructure
  3. mp-557531

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-557531
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Pb', 'S', 'O', 'F']
  • Chemical System: F-O-Pb-S
  • Density: 6.688811429626198
  • Atomic Density: 0.06609945447405394
  • Unit Cell Volume: 272.31692217770956
  • Molar Volume: 9.110726870467404
  • Full Formula: Pb4 S2 O8 F4
  • Reduced Formula: Pb2S(O2F)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -109.49334231
  • Final energy per atom: -6.082963461666667
  • 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.