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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105787

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-1105787
  • 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: 20
  • Number of elements: 3
  • Element list: ['Pb', 'O', 'F']
  • Chemical System: F-O-Pb
  • Density: 7.607459297679179
  • Atomic Density: 0.04890431445264884
  • Unit Cell Volume: 408.96187225699316
  • Molar Volume: 12.314129801023757
  • Full Formula: Pb8 O4 F8
  • Reduced Formula: Pb2OF2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -106.16531783
  • Final energy per atom: -5.3082658915000005
  • 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.