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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196128

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-1196128
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 6
  • Element list: ['Li', 'Al', 'H', 'C', 'O', 'F']
  • Chemical System: Al-C-F-H-Li-O
  • Density: 2.0318639010346367
  • Atomic Density: 0.08187898335732635
  • Unit Cell Volume: 854.9202387444708
  • Molar Volume: 7.354928594702868
  • Full Formula: Li1 Al1 H8 C16 O8 F36
  • Reduced Formula: LiAlH8C16(O2F9)4
  • Formula Anonymous: ABC8D8E16F36
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -412.95888367
  • Final energy per atom: -5.899412623857143
  • 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.