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  1. Third-Parties
  2. MatprojStructure
  3. mp-850539

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-850539
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'Si', 'O']
  • Chemical System: Cr-Li-O-Si
  • Density: 2.5334736389118677
  • Atomic Density: 0.07507031410430758
  • Unit Cell Volume: 1225.5177175916597
  • Molar Volume: 8.02200021653359
  • Full Formula: Li4 Cr4 Si24 O60
  • Reduced Formula: LiCr(Si2O5)3
  • Formula Anonymous: ABC6D15
  • Spacegroup Number: 37
  • Spacegroup Symbol: Ccc2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -742.03957146
  • Final energy per atom: -8.065647515869566
  • 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.