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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229104

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-1229104
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Al', 'H', 'O', 'F']
  • Chemical System: Al-F-H-O
  • Density: 1.672397631143926
  • Atomic Density: 0.11186577583779851
  • Unit Cell Volume: 500.59993398872996
  • Molar Volume: 5.383362976655073
  • Full Formula: Al2 H30 O12 F12
  • Reduced Formula: AlH15(OF)6
  • Formula Anonymous: AB6C6D15
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -291.87842028
  • Final energy per atom: -5.212114647857143
  • 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.