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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247830

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-1247830
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 75
  • Number of elements: 3
  • Element list: ['Al', 'O', 'F']
  • Chemical System: Al-F-O
  • Density: 3.2184321945662147
  • Atomic Density: 0.0933309918825857
  • Unit Cell Volume: 803.5915882513403
  • Molar Volume: 6.452455544002045
  • Full Formula: Al23 O17 F35
  • Reduced Formula: Al23O17F35
  • Formula Anonymous: A17B23C35
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -494.12478137
  • Final energy per atom: -6.588330418266667
  • 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.