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  1. Third-Parties
  2. MatprojStructure
  3. mp-756422

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-756422
  • 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: 14
  • Number of elements: 4
  • Element list: ['Li', 'Cu', 'Si', 'O']
  • Chemical System: Cu-Li-O-Si
  • Density: 2.976918339877987
  • Atomic Density: 0.09672691274114885
  • Unit Cell Volume: 144.7373807687364
  • Molar Volume: 6.225920573021768
  • Full Formula: Li4 Cu1 Si2 O7
  • Reduced Formula: Li4CuSi2O7
  • Formula Anonymous: AB2C4D7
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -93.16891958
  • Final energy per atom: -6.654922827142856
  • 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.