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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195722

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-1195722
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Al', 'H', 'Pb', 'O', 'F']
  • Chemical System: Al-F-H-O-Pb
  • Density: 6.4089401633547185
  • Atomic Density: 0.07372750452311318
  • Unit Cell Volume: 434.03069460961035
  • Molar Volume: 8.168106053436397
  • Full Formula: Al2 H4 Pb6 O2 F18
  • Reduced Formula: AlH2Pb3OF9
  • Formula Anonymous: ABC2D3E9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -174.40583118
  • Final energy per atom: -5.450182224375
  • 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.