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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202845

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-1202845
  • 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: 246
  • Number of elements: 5
  • Element list: ['Li', 'Cu', 'Si', 'H', 'C']
  • Chemical System: C-Cu-H-Li-Si
  • Density: 0.9853511207752278
  • Atomic Density: 0.08322462990888559
  • Unit Cell Volume: 2955.8557396929377
  • Molar Volume: 7.236007858001948
  • Full Formula: Li2 Cu4 Si24 H162 C54
  • Reduced Formula: LiCu2Si12(H3C)27
  • Formula Anonymous: AB2C12D27E81
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -1241.59942149
  • Final energy per atom: -5.0471521198780485
  • 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.