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  1. Third-Parties
  2. MatprojStructure
  3. mp-738609

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-738609
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['Li', 'H', 'C', 'Br', 'O']
  • Chemical System: Br-C-H-Li-O
  • Density: 1.3230627161512074
  • Atomic Density: 0.10142791564794033
  • Unit Cell Volume: 670.426869817874
  • Molar Volume: 5.9373602637197544
  • Full Formula: Li2 H40 C16 Br2 O8
  • Reduced Formula: LiH20C8BrO4
  • Formula Anonymous: ABC4D8E20
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -363.20627129
  • Final energy per atom: -5.341268695441177
  • 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.