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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195533

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-1195533
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 6
  • Element list: ['Li', 'Al', 'C', 'Cl', 'O', 'F']
  • Chemical System: Al-C-Cl-F-Li-O
  • Density: 2.1561152884114954
  • Atomic Density: 0.06428544497927106
  • Unit Cell Volume: 1804.4520036752388
  • Molar Volume: 9.367813759307177
  • Full Formula: Li2 Al2 C32 Cl24 O8 F48
  • Reduced Formula: LiAlC16Cl12(OF6)4
  • Formula Anonymous: ABC4D12E16F24
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -637.86338228
  • Final energy per atom: -5.498822261034483
  • 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.