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  1. Third-Parties
  2. MatprojStructure
  3. mp-572874

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-572874
  • 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: 50
  • Number of elements: 6
  • Element list: ['Al', 'H', 'C', 'N', 'O', 'F']
  • Chemical System: Al-C-F-H-N-O
  • Density: 1.1442701550945642
  • Atomic Density: 0.08828437336332862
  • Unit Cell Volume: 566.3516440698768
  • Molar Volume: 6.821298640492434
  • Full Formula: Al2 H28 C8 N2 O2 F8
  • Reduced Formula: AlH14C4NOF4
  • Formula Anonymous: ABCD4E4F14
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -265.92956715
  • Final energy per atom: -5.3185913430000005
  • 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.