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  1. Third-Parties
  2. MatprojStructure
  3. mp-1263648

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-1263648
  • 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: 58
  • Number of elements: 5
  • Element list: ['Al', 'H', 'C', 'N', 'F']
  • Chemical System: Al-C-F-H-N
  • Density: 0.9435825723465965
  • Atomic Density: 0.08687461282524378
  • Unit Cell Volume: 667.6288746940639
  • Molar Volume: 6.931991480772509
  • Full Formula: Al3 H36 C12 N3 F4
  • Reduced Formula: Al3H36C12N3F4
  • Formula Anonymous: A3B3C4D12E36
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -294.74376298
  • Final energy per atom: -5.081789016896551
  • 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.