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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199620

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-1199620
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 180
  • Number of elements: 5
  • Element list: ['Li', 'H', 'C', 'O', 'F']
  • Chemical System: C-F-H-Li-O
  • Density: 1.809815303870349
  • Atomic Density: 0.08544273552254793
  • Unit Cell Volume: 2106.674123893176
  • Molar Volume: 7.048160060852435
  • Full Formula: Li8 H40 C32 O28 F72
  • Reduced Formula: Li2H10C8O7F18
  • Formula Anonymous: A2B7C8D10E18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1022.5097746
  • Final energy per atom: -5.680609858888889
  • 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.