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  1. Third-Parties
  2. MatprojStructure
  3. mp-759472

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-759472
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Li', 'Cu', 'H', 'O']
  • Chemical System: Cu-H-Li-O
  • Density: 2.6128818450147544
  • Atomic Density: 0.11359771701599064
  • Unit Cell Volume: 352.11975249792545
  • Molar Volume: 5.301286784797171
  • Full Formula: Li4 Cu4 H16 O16
  • Reduced Formula: LiCu(HO)4
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -208.33189274
  • Final energy per atom: -5.2082973185
  • 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.