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  1. Third-Parties
  2. MatprojStructure
  3. mp-558403

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-558403
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['P', 'Pb', 'Xe', 'F']
  • Chemical System: F-P-Pb-Xe
  • Density: 3.8728358836646573
  • Atomic Density: 0.05569627300725751
  • Unit Cell Volume: 861.8170913113944
  • Molar Volume: 10.812466319272897
  • Full Formula: P4 Pb2 Xe6 F36
  • Reduced Formula: P2Pb(XeF6)3
  • Formula Anonymous: AB2C3D18
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -200.06560217
  • Final energy per atom: -4.168033378541667
  • 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.