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  1. Third-Parties
  2. MatprojStructure
  3. mp-559292

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-559292
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['P', 'Pb', 'Xe', 'F']
  • Chemical System: F-P-Pb-Xe
  • Density: 3.853332794283272
  • Atomic Density: 0.0539727149857533
  • Unit Cell Volume: 1445.1746594661574
  • Molar Volume: 11.157750284731112
  • Full Formula: P6 Pb3 Xe11 F58
  • Reduced Formula: P6Pb3Xe11F58
  • Formula Anonymous: A3B6C11D58
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -312.52338569
  • Final energy per atom: -4.006710072948718
  • 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.